#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 3.95 0.36 4.03 0.20 -1.26 -5.07 118.68 120.88 1rq8 s LEU 2 Ca 0.00 1.50 0.07 0.00 0.69 0.00 0.00 54.13 56.38 1rq8 s LEU 2 Cb 0.00 -4.34 -0.07 0.00 -0.43 0.00 0.00 46.19 41.35 1rq8 s LEU 2 CO 0.00 -0.33 -0.00 -0.89 -0.29 0.00 0.00 176.35 174.84 1rq8 s THR 3 N -2.17 1.79 0.02 3.68 2.01 -1.26 -4.99 115.64 114.73 1rq8 s THR 3 Ca 0.58 -2.05 -0.05 0.00 0.31 0.00 0.00 61.69 60.48 1rq8 s THR 3 Cb -0.10 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1rq8 s THR 3 CO 0.17 -0.07 1.09 1.23 -0.69 0.00 0.00 174.62 176.35 1rq8 h GLY 4 N 1.96 -1.97 0.38 4.40 0.00 -1.97 -0.24 103.07 105.62 1rq8 h GLY 4 Ca -0.42 0.90 0.23 0.00 0.00 0.00 0.00 47.33 48.03 1rq8 h GLY 4 CO 0.75 -0.70 0.58 0.07 0.00 0.00 0.00 176.54 177.24 1rq8 h LYS 5 N -0.05 0.08 -0.13 4.80 2.10 -1.98 0.40 116.57 121.80 1rq8 h LYS 5 Ca 0.02 -0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.48 1rq8 h LYS 5 Cb 0.09 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1rq8 h LYS 5 CO -0.11 0.05 -0.66 1.96 -2.00 0.00 0.00 179.45 178.69 1rq8 h GLN 6 N 0.08 0.50 -0.19 0.07 4.20 -1.21 -3.13 115.11 115.44 1rq8 h GLN 6 Ca 0.40 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1rq8 h GLN 6 Cb 1.46 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 1rq8 h GLN 6 CO -0.04 0.99 0.09 -0.22 -0.67 0.00 0.00 178.83 178.98 1rq8 h LYS 7 N 0.36 0.27 0.25 1.46 3.11 0.54 -1.53 116.57 121.03 1rq8 h LYS 7 Ca -0.02 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1rq8 h LYS 7 Cb 1.23 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.39 1rq8 h LYS 7 CO 0.12 0.30 -0.24 -0.09 -2.81 0.00 0.00 179.45 176.73 1rq8 h ARG 8 N 0.17 -0.49 0.20 1.90 2.43 -1.51 1.58 114.38 118.67 1rq8 h ARG 8 Ca 0.06 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1rq8 h ARG 8 Cb 0.12 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1rq8 h ARG 8 CO -0.01 -0.33 -0.25 1.88 -1.51 0.00 0.00 179.97 179.75 1rq8 h TYR 9 N -0.51 -0.67 -0.30 2.20 -1.99 -1.51 -2.91 116.97 111.26 1rq8 h TYR 9 Ca -0.01 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.60 1rq8 h TYR 9 Cb 0.47 0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 1rq8 h TYR 9 CO -0.16 -0.36 -0.36 1.25 -0.00 0.00 0.00 178.16 178.52 1rq8 h LEU 10 N -0.51 0.73 -1.24 3.88 6.46 -1.14 -3.01 115.31 120.48 1rq8 h LEU 10 Ca 0.01 -0.31 0.22 0.00 -0.12 0.00 0.00 57.88 57.67 1rq8 h LEU 10 Cb 0.49 -0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 1rq8 h LEU 10 CO -0.09 1.02 0.62 -0.09 -0.62 0.00 0.00 178.44 179.28 1rq8 h ARG 11 N 0.57 0.55 -0.06 1.25 1.12 0.25 0.21 114.38 118.27 1rq8 h ARG 11 Ca 0.06 -0.03 -0.21 0.00 -1.11 0.00 0.00 59.98 58.68 1rq8 h ARG 11 Cb 0.89 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 1rq8 h ARG 11 CO 0.08 0.36 -0.83 0.77 -3.11 0.00 0.00 179.97 177.24 1rq8 h SER 12 N 0.56 0.63 -0.23 -3.80 0.02 -1.40 -2.88 113.55 106.44 1rq8 h SER 12 Ca 0.56 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1rq8 h SER 12 Cb 1.15 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 1rq8 h SER 12 CO -0.31 1.22 0.03 -0.07 -1.14 0.00 0.00 176.83 176.56 1rq8 h LEU 13 N 0.33 -0.03 0.00 5.07 -0.00 -0.51 -1.46 115.31 118.71 1rq8 h LEU 13 Ca -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1rq8 h LEU 13 Cb 1.44 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 1rq8 h LEU 13 CO 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 178.44 178.61 1rq8 n ALA 14 N -2.33 2.17 -0.07 1.53 0.00 -0.85 -3.77 120.51 117.21 1rq8 n ALA 14 Ca -0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1rq8 n ALA 14 Cb 0.11 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 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 0.50 -0.02 0.00 6.17 -1.03 -3.07 115.15 117.69 1rq8 h HIS 15 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 60.94 1rq8 h HIS 15 Cb 0.39 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.21 1rq8 h HIS 15 CO 0.00 0.76 0.00 -1.71 0.71 0.00 0.00 177.93 177.69 1rq8 n ASN 16 N -4.53 0.69 -4.98 3.26 4.05 -1.23 -4.87 115.26 107.66 1rq8 n ASN 16 Ca -0.05 -1.30 -0.20 0.00 0.45 0.00 0.00 54.58 53.48 1rq8 n ASN 16 Cb 0.35 -0.01 0.03 0.00 1.23 0.00 0.00 39.78 41.39 1rq8 n ASN 16 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1rq8 s ILE 17 N -1.98 2.74 0.03 -1.44 1.01 -1.16 -5.10 121.20 115.30 1rq8 s ILE 17 Ca 0.41 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1rq8 s ILE 17 Cb 0.20 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1rq8 s ILE 17 CO 0.33 -0.00 -0.03 -1.81 0.00 0.00 0.00 174.94 173.43 1rq8 s ASP 18 N -4.41 4.90 0.18 3.58 1.11 -1.26 -5.01 116.67 115.75 1rq8 s ASP 18 Ca 0.57 -0.12 -0.30 0.00 0.18 0.00 0.00 52.55 52.88 1rq8 s ASP 18 Cb -0.10 -1.19 -0.07 0.00 1.07 0.00 0.00 42.92 42.62 1rq8 s ASP 18 CO 0.37 0.24 1.05 -2.16 1.18 0.00 0.00 175.17 175.86 1rq8 s PRO 19 N -1.77 4.65 -0.01 8.23 0.04 -1.24 -4.76 135.00 140.14 1rq8 s PRO 19 Ca 0.21 1.63 0.12 0.00 0.04 0.00 0.00 61.00 63.01 1rq8 s PRO 19 Cb -0.11 -3.29 -0.17 0.00 0.04 0.00 0.00 34.50 30.96 1rq8 s PRO 19 CO 0.12 0.17 0.37 0.44 0.04 0.00 0.00 177.00 178.14 1rq8 n ILE 20 N 2.27 0.00 -4.67 0.56 -0.00 -1.26 -4.90 119.36 111.36 1rq8 n ILE 20 Ca 0.02 -0.26 -0.33 0.00 -0.00 0.00 0.00 62.75 62.17 1rq8 n ILE 20 Cb 0.47 0.51 -0.13 0.00 -0.00 0.00 0.00 39.64 40.49 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 -2.61 2.87 -0.08 4.28 -0.12 -1.26 -5.05 117.98 116.02 1rq8 s PHE 21 Ca -0.01 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 56.60 1rq8 s PHE 21 Cb 0.08 -1.79 0.01 0.00 -0.63 0.00 0.00 43.02 40.69 1rq8 s PHE 21 CO 0.52 0.05 -0.16 -1.14 -0.05 0.00 0.00 175.22 174.44 1rq8 s GLN 22 N -0.16 2.10 0.18 1.99 0.74 -1.26 -2.37 119.66 120.87 1rq8 s GLN 22 Ca 0.01 -0.55 -0.16 0.00 0.05 0.00 0.00 55.36 54.71 1rq8 s GLN 22 Cb -0.13 -1.67 -0.07 0.00 1.10 0.00 0.00 33.01 32.23 1rq8 s GLN 22 CO 0.03 0.07 0.62 0.42 -0.55 0.00 0.00 175.29 175.88 1rq8 s ILE 23 N 0.58 4.75 0.00 -2.34 1.01 0.52 -4.94 121.20 120.77 1rq8 s ILE 23 Ca -0.16 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.49 1rq8 s ILE 23 Cb -0.16 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1rq8 s ILE 23 CO 0.05 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1rq8 n GLY 24 N 0.76 -2.64 0.10 6.18 0.00 -1.26 -2.14 105.19 106.18 1rq8 n GLY 24 Ca -0.04 -1.38 0.07 0.00 0.00 0.00 0.00 46.02 44.67 1rq8 n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rq8 n LYS 25 N -0.99 0.61 -0.34 1.61 5.02 -1.26 -2.55 118.16 120.27 1rq8 n LYS 25 Ca 0.00 0.16 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 1rq8 n LYS 25 Cb 0.00 -1.81 0.28 0.00 -0.02 0.00 0.00 35.03 33.48 1rq8 n LYS 25 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1rq8 h GLY 26 N 3.88 1.66 0.00 0.72 0.00 -1.92 -3.39 103.07 104.02 1rq8 h GLY 26 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1rq8 h GLY 26 CO 0.02 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1rq8 n GLY 27 N -1.33 -0.07 3.46 4.60 0.00 -1.26 -5.01 105.19 105.57 1rq8 n GLY 27 Ca 0.21 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 4.64 -0.12 -0.61 1.01 -1.26 -4.26 121.20 120.59 1rq8 s ILE 28 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1rq8 s ILE 28 Cb 0.00 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1rq8 s ILE 28 CO 0.00 0.13 0.02 0.21 0.00 0.00 0.00 174.94 175.31 1rq8 s ASN 29 N 1.63 5.36 0.24 3.58 3.84 -1.26 -5.00 114.94 123.34 1rq8 s ASN 29 Ca 0.05 0.11 -0.05 0.00 0.21 0.00 0.00 52.86 53.18 1rq8 s ASN 29 Cb -0.17 -1.70 0.36 0.00 -0.55 0.00 0.00 41.25 39.19 1rq8 s ASN 29 CO 0.06 0.29 1.84 -0.08 -2.79 0.00 0.00 177.10 176.43 1rq8 h GLU 30 N 5.80 0.91 -0.93 0.43 4.81 -1.97 0.05 114.58 123.68 1rq8 h GLU 30 Ca -0.44 -0.05 0.20 0.00 -0.13 0.00 0.00 59.36 58.93 1rq8 h GLU 30 Cb 1.19 -0.21 -0.11 0.00 0.63 0.00 0.00 28.75 30.25 1rq8 h GLU 30 CO 0.60 0.60 0.50 -0.91 -0.73 0.00 0.00 179.01 179.07 1rq8 h ASN 31 N 0.94 0.56 -0.21 1.04 4.21 -1.99 1.83 115.58 121.96 1rq8 h ASN 31 Ca 0.39 0.12 -0.14 0.00 1.21 0.00 0.00 56.30 57.87 1rq8 h ASN 31 Cb 0.23 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1rq8 h ASN 31 CO -0.19 0.15 -0.38 0.24 -1.29 0.00 0.00 177.43 175.95 1rq8 h MET 32 N 0.59 0.74 -0.00 0.81 2.86 -1.40 -2.66 114.93 115.86 1rq8 h MET 32 Ca 0.55 -0.38 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 1rq8 h MET 32 Cb 0.94 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1rq8 h MET 32 CO -0.44 1.00 -0.57 0.82 1.06 0.00 0.00 176.91 178.78 1rq8 h ILE 33 N 0.61 1.41 -0.84 -1.22 2.04 0.17 -1.12 117.51 118.57 1rq8 h ILE 33 Ca 0.05 -1.96 0.13 0.00 1.00 0.00 0.00 64.86 64.08 1rq8 h ILE 33 Cb 0.92 2.06 -0.09 0.00 -0.74 0.00 0.00 36.82 38.98 1rq8 h ILE 33 CO 0.08 0.56 0.46 0.11 0.00 0.00 0.00 178.15 179.36 1rq8 h LYS 34 N 0.00 0.68 -0.00 2.37 1.79 0.28 1.64 116.57 123.33 1rq8 h LYS 34 Ca -0.01 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1rq8 h LYS 34 Cb 1.01 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1rq8 h LYS 34 CO 0.07 0.45 -0.06 1.96 -1.08 0.00 0.00 179.45 180.79 1rq8 h GLN 35 N 0.70 0.04 -0.85 3.15 4.20 -1.44 -3.14 115.11 117.77 1rq8 h GLN 35 Ca 0.44 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 59.24 1rq8 h GLN 35 Cb 0.54 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.24 1rq8 h GLN 35 CO -0.31 0.82 0.45 0.82 -0.67 0.00 0.00 178.83 179.94 1rq8 h ILE 36 N -0.72 0.77 -0.04 2.54 2.04 -0.31 0.18 117.51 121.97 1rq8 h ILE 36 Ca -0.01 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1rq8 h ILE 36 Cb 0.84 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1rq8 h ILE 36 CO 0.01 0.12 -0.44 0.44 0.00 0.00 0.00 178.15 178.28 1rq8 h ASP 37 N 0.67 -1.37 -0.31 1.72 3.32 0.24 0.88 116.42 121.57 1rq8 h ASP 37 Ca 0.45 0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.56 1rq8 h ASP 37 Cb 0.60 0.54 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1rq8 h ASP 37 CO -0.34 -0.46 -0.20 -0.78 -1.72 0.00 0.00 179.24 175.74 1rq8 h ASP 38 N -0.57 0.79 0.25 6.45 3.58 -1.34 0.22 116.42 125.80 1rq8 h ASP 38 Ca 0.05 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 1rq8 h ASP 38 Cb 0.66 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1rq8 h ASP 38 CO -0.35 0.98 -0.12 0.74 -2.88 0.00 0.00 179.24 177.60 1rq8 h THR 39 N 0.69 0.78 -0.02 2.25 2.02 0.22 -2.54 112.91 116.30 1rq8 h THR 39 Ca 0.10 -0.17 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 1rq8 h THR 39 Cb 0.71 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1rq8 h THR 39 CO 0.05 0.04 -0.75 0.17 0.37 0.00 0.00 175.52 175.40 1rq8 h LEU 40 N -0.42 0.22 -2.70 2.58 8.10 0.79 -2.77 115.31 121.11 1rq8 h LEU 40 Ca -0.03 -0.16 -0.00 0.00 0.11 0.00 0.00 57.88 57.80 1rq8 h LEU 40 Cb 0.32 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1rq8 h LEU 40 CO 0.06 0.89 -0.01 -0.08 -4.11 0.00 0.00 178.44 175.19 1rq8 h GLU 41 N 0.12 0.00 0.08 0.17 4.81 -0.44 -2.66 114.58 116.65 1rq8 h GLU 41 Ca -0.02 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.85 1rq8 h GLU 41 Cb 1.32 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1rq8 h GLU 41 CO 0.11 0.01 -2.02 -1.71 -0.73 0.00 0.00 179.01 174.67 1rq8 n ASN 42 N -3.25 2.05 -4.89 1.04 2.85 -0.97 -4.97 115.26 107.13 1rq8 n ASN 42 Ca -0.03 0.18 -0.21 0.00 -0.11 0.00 0.00 54.58 54.41 1rq8 n ASN 42 Cb 0.10 -0.79 0.08 0.00 1.24 0.00 0.00 39.78 40.41 1rq8 n ASN 42 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1rq8 s ARG 43 N -2.52 2.10 -0.17 1.20 0.52 -1.00 -4.95 118.95 114.13 1rq8 s ARG 43 Ca -0.27 -1.40 0.07 0.00 -0.52 0.00 0.00 55.73 53.62 1rq8 s ARG 43 Cb 0.07 -2.53 -0.15 0.00 0.52 0.00 0.00 34.95 32.86 1rq8 s ARG 43 CO 0.69 -1.05 -0.06 0.39 0.02 0.00 0.00 175.30 175.30 1rq8 n GLU 44 N -2.45 1.03 -4.31 3.54 4.71 -1.26 -4.79 120.64 117.11 1rq8 n GLU 44 Ca 0.15 0.05 -0.34 0.00 -0.01 0.00 0.00 57.16 57.01 1rq8 n GLU 44 Cb 0.61 -1.37 -0.12 0.00 -1.01 0.00 0.00 31.44 29.55 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 -5.60 3.31 -0.11 -4.62 2.96 -1.26 -2.12 118.68 111.24 1rq8 s LEU 45 Ca -0.16 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1rq8 s LEU 45 Cb 0.05 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.96 1rq8 s LEU 45 CO 0.51 0.15 -0.12 0.27 -1.32 0.00 0.00 176.35 175.85 1rq8 s ILE 46 N 0.46 1.31 -0.37 6.68 -4.36 -0.49 -5.00 121.20 119.44 1rq8 s ILE 46 Ca -0.02 -0.50 -0.09 0.00 -0.26 0.00 0.00 60.65 59.78 1rq8 s ILE 46 Cb -0.14 -1.24 0.04 0.00 1.25 0.00 0.00 42.46 42.36 1rq8 s ILE 46 CO 0.02 0.41 0.17 -1.59 0.24 0.00 0.00 174.94 174.20 1rq8 s LYS 47 N 1.32 2.71 -0.00 0.37 0.00 -1.26 -1.30 119.74 121.57 1rq8 s LYS 47 Ca -0.01 -1.17 -0.02 0.00 0.00 0.00 0.00 55.97 54.78 1rq8 s LYS 47 Cb -0.14 -3.63 -0.04 0.00 0.00 0.00 0.00 37.83 34.02 1rq8 s LYS 47 CO -0.05 -0.72 0.15 0.08 0.00 0.00 0.00 175.35 174.80 1rq8 s VAL 48 N 1.48 5.16 -0.48 1.79 1.01 0.13 -3.66 120.40 125.83 1rq8 s VAL 48 Ca 0.01 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1rq8 s VAL 48 Cb -0.20 -3.40 0.08 0.00 0.00 0.00 0.00 36.38 32.86 1rq8 s VAL 48 CO 0.05 0.32 0.41 -2.28 0.00 0.00 0.00 175.10 173.59 1rq8 s HIS 49 N -1.29 3.25 -0.12 5.22 2.46 -1.00 0.21 115.29 124.01 1rq8 s HIS 49 Ca 0.26 -0.99 -0.07 0.00 0.47 0.00 0.00 55.06 54.73 1rq8 s HIS 49 Cb -0.12 -3.26 -0.04 0.00 -0.13 0.00 0.00 32.58 29.03 1rq8 s HIS 49 CO 0.18 -0.83 0.14 0.08 -2.47 0.00 0.00 174.74 171.84 1rq8 s VAL 50 N 1.63 5.50 -0.41 0.89 1.01 0.20 -0.36 120.40 128.87 1rq8 s VAL 50 Ca 0.04 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.29 1rq8 s VAL 50 Cb -0.25 -3.41 0.64 0.00 0.00 0.00 0.00 36.38 33.36 1rq8 s VAL 50 CO 0.06 0.61 1.84 0.18 0.00 0.00 0.00 175.10 177.80 1rq8 n LEU 51 N 2.02 6.40 0.12 3.92 7.99 -0.91 -4.52 117.00 132.03 1rq8 n LEU 51 Ca -0.20 -3.40 0.09 0.00 -0.01 0.00 0.00 56.01 52.49 1rq8 n LEU 51 Cb 0.55 -0.80 0.45 0.00 -0.11 0.00 0.00 43.42 43.51 1rq8 n LEU 51 CO 0.31 0.98 0.78 1.67 -1.51 0.00 0.00 177.39 179.62 1rq8 n GLN 52 N -0.89 0.13 0.00 3.23 0.00 -1.26 -4.10 117.38 114.48 1rq8 n GLN 52 Ca 0.53 0.53 0.00 0.00 -0.00 0.00 0.00 57.00 58.06 1rq8 n GLN 52 Cb 1.56 -1.83 0.00 0.00 0.00 0.00 0.00 30.24 29.97 1rq8 n GLN 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1rq8 n ASN 53 N -2.09 0.00 -4.72 1.69 3.02 -1.26 -4.87 115.26 107.04 1rq8 n ASN 53 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1rq8 n ASN 53 Cb 0.10 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.32 1rq8 n ASN 53 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rq8 n ASN 54 N 1.28 2.12 -0.07 6.41 4.13 -1.26 -4.95 115.26 122.91 1rq8 n ASN 54 Ca 0.00 0.89 -0.09 0.00 1.68 0.00 0.00 54.58 57.06 1rq8 n ASN 54 Cb 0.00 -1.54 -0.06 0.00 -1.54 0.00 0.00 39.78 36.65 1rq8 n ASN 54 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1rq8 h PHE 55 N 0.91 0.00 0.00 3.10 0.04 -1.94 -2.92 116.94 116.13 1rq8 h PHE 55 Ca -0.50 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.27 1rq8 h PHE 55 Cb 1.33 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.48 1rq8 h PHE 55 CO 0.42 0.52 -0.00 -0.44 -0.60 0.00 0.00 178.31 178.21 1rq8 h ASP 56 N -1.00 0.00 0.21 2.17 5.19 -2.00 -2.50 116.42 118.49 1rq8 h ASP 56 Ca -0.07 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.06 1rq8 h ASP 56 Cb 0.61 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.15 1rq8 h ASP 56 CO -0.04 0.00 -1.23 -0.78 -3.12 0.00 0.00 179.24 174.07 1rq8 h ASP 57 N 0.00 0.71 -0.84 6.45 1.82 -1.96 -3.10 116.42 119.50 1rq8 h ASP 57 Ca -0.00 -0.93 0.12 0.00 -0.39 0.00 0.00 57.03 55.83 1rq8 h ASP 57 Cb 0.31 -0.23 -0.06 0.00 0.68 0.00 0.00 39.33 40.02 1rq8 h ASP 57 CO 0.00 1.60 0.55 0.11 -1.61 0.00 0.00 179.24 179.88 1rq8 h LYS 58 N -0.05 0.67 -0.19 0.28 1.57 -1.24 -0.12 116.57 117.48 1rq8 h LYS 58 Ca -0.22 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1rq8 h LYS 58 Cb 1.97 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.12 1rq8 h LYS 58 CO 0.23 0.44 0.05 -0.22 -0.57 0.00 0.00 179.45 179.38 1rq8 h LYS 59 N 0.69 0.30 -0.95 3.15 3.64 -1.55 -2.44 116.57 119.40 1rq8 h LYS 59 Ca 0.41 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.85 1rq8 h LYS 59 Cb 0.61 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 1rq8 h LYS 59 CO -0.17 0.42 0.57 1.49 -2.27 0.00 0.00 179.45 179.49 1rq8 h GLU 60 N 0.12 0.85 -0.96 1.90 4.81 -0.98 0.16 114.58 120.48 1rq8 h GLU 60 Ca 0.06 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1rq8 h GLU 60 Cb 0.25 -0.19 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 1rq8 h GLU 60 CO -0.00 0.56 0.60 -0.07 -0.73 0.00 0.00 179.01 179.38 1rq8 h LEU 61 N 0.88 0.91 -2.04 1.64 4.07 -0.80 0.57 115.31 120.54 1rq8 h LEU 61 Ca 0.49 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.56 1rq8 h LEU 61 Cb 0.54 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1rq8 h LEU 61 CO -0.29 0.53 0.21 0.00 -1.08 0.00 0.00 178.44 177.80 1rq8 h ALA 62 N 1.49 2.20 -0.78 1.53 0.00 -0.42 1.62 119.26 124.90 1rq8 h ALA 62 Ca 0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.38 1rq8 h ALA 62 Cb 0.35 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1rq8 h ALA 62 CO -0.23 -0.35 0.52 1.49 0.00 0.00 0.00 179.25 180.68 1rq8 h GLU 63 N 0.00 0.98 0.13 0.00 4.22 0.34 1.58 114.58 121.83 1rq8 h GLU 63 Ca 0.13 -0.06 -0.35 0.00 0.08 0.00 0.00 59.36 59.16 1rq8 h GLU 63 Cb 0.54 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1rq8 h GLU 63 CO -0.00 0.65 -1.88 1.15 -2.18 0.00 0.00 179.01 176.75 1rq8 h THR 64 N 1.01 0.76 0.10 0.32 2.02 0.05 -3.04 112.91 114.13 1rq8 h THR 64 Ca 0.30 -2.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.03 1rq8 h THR 64 Cb -0.04 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1rq8 h THR 64 CO -0.08 0.86 -0.05 -0.07 0.37 0.00 0.00 175.52 176.55 1rq8 h LEU 65 N 0.08 -0.11 -0.12 2.58 3.38 0.25 -1.20 115.31 120.17 1rq8 h LEU 65 Ca -0.38 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1rq8 h LEU 65 Cb 2.05 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.82 1rq8 h LEU 65 CO 0.12 0.40 0.07 -1.28 0.09 0.00 0.00 178.44 177.84 1rq8 h SER 66 N -0.66 0.12 -0.35 -0.43 0.87 0.21 1.29 113.55 114.60 1rq8 h SER 66 Ca -0.01 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1rq8 h SER 66 Cb 0.52 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1rq8 h SER 66 CO 0.02 0.09 0.17 -0.33 -0.53 0.00 0.00 176.83 176.25 1rq8 h GLU 67 N 0.15 0.55 0.10 2.24 4.39 -1.58 -1.68 114.58 118.75 1rq8 h GLU 67 Ca 0.04 -0.06 -0.29 0.00 0.34 0.00 0.00 59.36 59.38 1rq8 h GLU 67 Cb -0.01 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1rq8 h GLU 67 CO -0.01 0.45 -1.47 0.00 -1.16 0.00 0.00 179.01 176.81 1rq8 h ALA 68 N 1.64 0.29 0.00 3.43 0.00 -0.63 -3.26 119.26 120.73 1rq8 h ALA 68 Ca 0.14 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1rq8 h ALA 68 Cb 0.09 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rq8 h ALA 68 CO -0.02 1.16 0.00 0.25 0.00 0.00 0.00 179.25 180.64 1rq8 n THR 69 N -3.43 0.00 -2.09 0.00 -2.24 0.44 -4.84 114.28 102.13 1rq8 n THR 69 Ca -0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 1rq8 n THR 69 Cb 1.03 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.93 -1.92 -3.07 -0.78 0.63 -0.66 -4.82 116.66 105.11 1rq8 n ARG 70 Ca 0.19 0.63 -0.13 0.00 -0.92 0.00 0.00 57.85 57.62 1rq8 n ARG 70 Cb 0.08 -5.11 -0.03 0.00 0.45 0.00 0.00 32.46 27.86 1rq8 n ARG 70 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1rq8 n SER 71 N -1.34 2.24 -3.94 6.15 7.64 -1.09 -3.81 113.62 119.47 1rq8 n SER 71 Ca -0.14 -1.91 -0.24 0.00 1.01 0.00 0.00 58.87 57.59 1rq8 n SER 71 Cb 0.54 0.21 -0.17 0.00 -1.01 0.00 0.00 64.21 63.78 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 -2.73 1.38 -0.36 1.43 0.41 -0.80 -4.61 118.70 113.43 1rq8 s GLU 72 Ca 0.02 -0.26 -0.27 0.00 -0.41 0.00 0.00 54.97 54.05 1rq8 s GLU 72 Cb 0.00 -1.32 -0.05 0.00 -1.78 0.00 0.00 34.13 30.99 1rq8 s GLU 72 CO 0.01 -0.12 2.20 -1.17 -0.49 0.00 0.00 175.26 175.70 1rq8 s LEU 73 N 1.15 3.42 0.32 1.80 0.20 -1.26 -1.36 118.68 122.96 1rq8 s LEU 73 Ca -0.06 1.41 0.16 0.00 0.69 0.00 0.00 54.13 56.33 1rq8 s LEU 73 Cb -0.14 -3.09 0.47 0.00 -0.43 0.00 0.00 46.19 42.99 1rq8 s LEU 73 CO -0.02 -2.28 1.64 -0.37 -0.29 0.00 0.00 176.35 175.03 1rq8 h VAL 74 N 7.27 1.04 0.00 1.68 -1.51 -0.24 -3.48 116.25 121.02 1rq8 h VAL 74 Ca -0.33 -1.87 0.00 0.00 -1.23 0.00 0.00 66.70 63.27 1rq8 h VAL 74 Cb 1.23 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 32.50 1rq8 h VAL 74 CO 1.06 0.47 0.00 0.00 -1.23 0.00 0.00 177.57 177.87 1rq8 n GLN 75 N -3.52 0.00 -4.43 5.19 1.13 -0.43 -4.76 117.38 110.55 1rq8 n GLN 75 Ca -0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 1rq8 n GLN 75 Cb 0.59 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.78 1rq8 n GLN 75 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1rq8 s VAL 76 N -2.00 1.60 -0.44 5.09 1.01 -1.26 0.28 120.40 124.67 1rq8 s VAL 76 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1rq8 s VAL 76 Cb 0.00 -1.45 0.12 0.00 0.00 0.00 0.00 36.38 35.04 1rq8 s VAL 76 CO 0.00 0.46 0.27 -0.63 0.00 0.00 0.00 175.10 175.20 1rq8 s ILE 77 N 1.03 3.71 0.00 2.22 1.09 0.49 -4.93 121.20 124.81 1rq8 s ILE 77 Ca -0.05 -1.97 0.00 0.00 -1.10 0.00 0.00 60.65 57.53 1rq8 s ILE 77 Cb -0.15 -3.49 0.00 0.00 -1.06 0.00 0.00 42.46 37.76 1rq8 s ILE 77 CO -0.03 -0.74 0.00 0.61 -0.10 0.00 0.00 174.94 174.69 1rq8 n GLY 78 N 4.70 2.38 0.84 6.18 0.00 -1.26 0.13 105.19 118.16 1rq8 n GLY 78 Ca -0.04 0.38 0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 6.59 2.35 -4.28 1.61 7.64 -1.26 -4.83 113.62 121.44 1rq8 n SER 79 Ca 0.00 -2.21 -0.30 0.00 1.01 0.00 0.00 58.87 57.37 1rq8 n SER 79 Cb 0.00 -0.41 -0.16 0.00 -1.01 0.00 0.00 64.21 62.63 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 2.07 -0.11 1.43 1.00 0.35 0.63 119.30 123.00 1rq8 s MET 80 Ca 0.21 -0.87 -0.01 0.00 0.00 0.00 0.00 55.69 55.02 1rq8 s MET 80 Cb 0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 34.83 32.99 1rq8 s MET 80 CO 0.10 0.50 -0.07 0.42 0.00 0.00 0.00 175.02 175.96 1rq8 s ILE 81 N -0.49 3.61 -0.36 2.53 1.01 0.56 0.19 121.20 128.24 1rq8 s ILE 81 Ca 0.07 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 1rq8 s ILE 81 Cb -0.10 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.87 1rq8 s ILE 81 CO -0.00 0.54 0.18 -0.69 0.00 0.00 0.00 174.94 174.97 1rq8 s VAL 82 N -0.13 4.40 0.13 2.92 1.01 0.81 0.23 120.40 129.76 1rq8 s VAL 82 Ca 0.01 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1rq8 s VAL 82 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1rq8 s VAL 82 CO 0.03 -0.19 -0.11 -0.63 0.00 0.00 0.00 175.10 174.19 1rq8 s ILE 83 N 1.53 1.17 -0.23 2.22 1.01 -0.42 0.53 121.20 127.01 1rq8 s ILE 83 Ca 0.02 -1.83 0.02 0.00 0.00 0.00 0.00 60.65 58.85 1rq8 s ILE 83 Cb -0.19 -1.61 0.05 0.00 0.01 0.00 0.00 42.46 40.72 1rq8 s ILE 83 CO 0.06 -0.58 -0.10 -0.47 0.00 0.00 0.00 174.94 173.85 1rq8 s TYR 84 N -2.68 2.82 0.31 3.97 5.04 -0.46 -1.39 117.35 124.95 1rq8 s TYR 84 Ca 0.11 -1.97 -0.27 0.00 -2.44 0.00 0.00 57.07 52.50 1rq8 s TYR 84 Cb -0.02 -1.77 -0.09 0.00 0.35 0.00 0.00 41.96 40.43 1rq8 s TYR 84 CO 0.01 -0.82 0.99 -0.98 -1.34 0.00 0.00 175.55 173.42 1rq8 s ARG 85 N 1.26 4.58 0.86 4.97 1.04 -0.90 -1.90 118.95 128.87 1rq8 s ARG 85 Ca -0.06 1.48 -0.24 0.00 -1.04 0.00 0.00 55.73 55.88 1rq8 s ARG 85 Cb -0.18 -2.93 -0.17 0.00 -2.04 0.00 0.00 34.95 29.62 1rq8 s ARG 85 CO -0.07 0.25 -1.31 -0.85 -0.04 0.00 0.00 175.30 173.28 1rq8 n GLU 86 N 0.78 0.00 -3.50 3.89 0.28 -1.25 -4.84 120.64 116.00 1rq8 n GLU 86 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.66 1rq8 n GLU 86 Cb 0.48 -0.86 -0.06 0.00 1.43 0.00 0.00 31.44 32.44 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 -0.86 6.71 0.00 -1.84 0.01 -1.26 -4.91 113.70 111.55 1rq8 s SER 87 Ca 0.31 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1rq8 s SER 87 Cb 0.08 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1rq8 s SER 87 CO 0.58 0.15 0.00 1.17 0.41 0.00 0.00 173.24 175.55 1rq8 n LYS 88 N 0.88 0.00 -3.84 12.44 4.81 -1.26 -5.05 118.16 126.14 1rq8 n LYS 88 Ca -0.07 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.01 1rq8 n LYS 88 Cb 0.52 -0.07 -0.12 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 -1.80 3.79 -0.92 1.64 2.02 -1.26 -4.99 118.70 117.17 1rq8 s GLU 89 Ca 0.00 -0.42 -0.23 0.00 0.02 0.00 0.00 54.97 54.34 1rq8 s GLU 89 Cb 0.00 -3.32 -0.20 0.00 0.10 0.00 0.00 34.13 30.71 1rq8 s GLU 89 CO 0.00 -0.03 2.02 -1.71 0.02 0.00 0.00 175.26 175.55 1rq8 n ASN 90 N 4.48 0.93 -4.94 -0.19 2.85 -1.26 -4.88 115.26 112.24 1rq8 n ASN 90 Ca -0.16 -2.22 -0.24 0.00 -0.11 0.00 0.00 54.58 51.85 1rq8 n ASN 90 Cb 0.52 -1.57 -0.02 0.00 1.24 0.00 0.00 39.78 39.94 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 8.16 3.48 -0.80 1.20 2.36 -1.26 -4.93 119.74 127.96 1rq8 s LYS 91 Ca 0.74 -0.46 -0.26 0.00 -2.55 0.00 0.00 55.97 53.45 1rq8 s LYS 91 Cb -0.07 -2.78 -0.22 0.00 -1.05 0.00 0.00 37.83 33.71 1rq8 s LYS 91 CO 0.16 0.31 1.91 -1.91 1.55 0.00 0.00 175.35 177.37 1rq8 n GLU 92 N -1.31 0.75 -4.45 4.03 2.13 -1.26 -4.85 120.64 115.67 1rq8 n GLU 92 Ca -0.06 -1.78 -0.33 0.00 0.66 0.00 0.00 57.16 55.65 1rq8 n GLU 92 Cb 0.56 -3.35 -0.10 0.00 0.27 0.00 0.00 31.44 28.81 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 10.88 3.92 0.12 6.31 -1.09 -1.26 -5.12 121.20 134.96 1rq8 s ILE 93 Ca 0.70 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 58.64 1rq8 s ILE 93 Cb 0.05 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 1rq8 s ILE 93 CO 0.20 0.50 0.04 -1.83 -1.23 0.00 0.00 174.94 172.61 1rq8 s GLU 94 N -1.15 2.64 -0.36 2.79 1.03 -1.26 -5.05 118.70 117.34 1rq8 s GLU 94 Ca 0.15 -0.88 0.02 0.00 0.03 0.00 0.00 54.97 54.30 1rq8 s GLU 94 Cb -0.11 -2.55 0.29 0.00 -0.80 0.00 0.00 34.13 30.96 1rq8 s GLU 94 CO 0.05 0.52 1.24 -0.11 -1.33 0.00 0.00 175.26 175.63 1rq8 n LEU 95 N 0.22 -1.58 0.00 1.83 7.94 -1.26 -4.80 117.00 119.36 1rq8 n LEU 95 Ca -0.10 -2.19 0.07 0.00 -1.11 0.00 0.00 56.01 52.69 1rq8 n LEU 95 Cb 0.53 0.78 0.43 0.00 0.53 0.00 0.00 43.42 45.69 1rq8 n LEU 95 CO 0.41 1.69 0.64 -0.81 -1.11 0.00 0.00 177.39 178.20