#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 2.65 0.35 4.03 0.20 -1.26 -5.03 118.68 119.62 1rq8 s LEU 2 Ca 0.00 -0.74 0.07 0.00 0.69 0.00 0.00 54.13 54.15 1rq8 s LEU 2 Cb 0.00 -1.37 -0.07 0.00 -0.43 0.00 0.00 46.19 44.32 1rq8 s LEU 2 CO 0.00 0.12 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.27 1rq8 s THR 3 N -1.63 1.79 0.22 3.68 2.01 -1.26 -4.99 115.64 115.47 1rq8 s THR 3 Ca 0.22 -2.07 -0.08 0.00 0.31 0.00 0.00 61.69 60.07 1rq8 s THR 3 Cb -0.08 -2.76 0.20 0.00 0.01 0.00 0.00 72.50 69.86 1rq8 s THR 3 CO 0.12 -0.11 1.69 1.23 -0.69 0.00 0.00 174.62 176.86 1rq8 h GLY 4 N 2.01 0.87 1.01 4.40 0.00 -1.99 0.09 103.07 109.45 1rq8 h GLY 4 Ca -0.42 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1rq8 h GLY 4 CO 0.73 -0.15 0.10 1.70 0.00 0.00 0.00 176.54 178.92 1rq8 h LYS 5 N 0.26 0.90 -0.63 4.80 1.63 -1.96 -2.58 116.57 118.99 1rq8 h LYS 5 Ca 0.36 -0.23 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1rq8 h LYS 5 Cb 0.57 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 1rq8 h LYS 5 CO -0.46 0.86 0.12 1.96 -3.45 0.00 0.00 179.45 178.49 1rq8 h GLN 6 N 0.80 1.02 -0.85 1.90 4.20 -1.60 -2.44 115.11 118.15 1rq8 h GLN 6 Ca 0.17 -0.25 0.08 0.00 0.06 0.00 0.00 58.65 58.71 1rq8 h GLN 6 Cb 0.39 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 1rq8 h GLN 6 CO 0.01 0.93 0.50 -0.22 -0.67 0.00 0.00 178.83 179.38 1rq8 h LYS 7 N 0.96 0.85 0.38 1.46 3.64 -0.74 0.89 116.57 124.01 1rq8 h LYS 7 Ca 0.20 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1rq8 h LYS 7 Cb 0.39 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1rq8 h LYS 7 CO 0.01 0.56 -0.29 -0.09 -2.27 0.00 0.00 179.45 177.37 1rq8 h ARG 8 N 0.87 -0.64 -0.27 1.90 1.12 -1.05 1.43 114.38 117.74 1rq8 h ARG 8 Ca 0.39 0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.29 1rq8 h ARG 8 Cb 0.29 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1rq8 h ARG 8 CO -0.22 -0.43 0.09 1.88 -3.11 0.00 0.00 179.97 178.19 1rq8 h TYR 9 N -0.67 0.42 -0.18 2.20 0.05 -1.39 -3.14 116.97 114.26 1rq8 h TYR 9 Ca -0.03 -0.04 -0.21 0.00 0.05 0.00 0.00 58.73 58.50 1rq8 h TYR 9 Cb 0.58 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 38.20 1rq8 h TYR 9 CO -0.14 0.45 -0.71 -0.07 -1.05 0.00 0.00 178.16 176.63 1rq8 h LEU 10 N 0.28 0.94 -0.89 3.88 3.38 -0.71 -2.60 115.31 119.58 1rq8 h LEU 10 Ca 0.09 -0.61 0.18 0.00 0.09 0.00 0.00 57.88 57.63 1rq8 h LEU 10 Cb 0.21 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 1rq8 h LEU 10 CO -0.00 1.39 0.46 -0.09 0.09 0.00 0.00 178.44 180.29 1rq8 h ARG 11 N 0.55 0.57 0.00 1.13 1.12 0.20 0.20 114.38 118.15 1rq8 h ARG 11 Ca -0.04 -0.03 -0.15 0.00 -1.11 0.00 0.00 59.98 58.65 1rq8 h ARG 11 Cb 1.34 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 31.15 1rq8 h ARG 11 CO 0.15 0.38 -0.69 0.66 -3.11 0.00 0.00 179.97 177.36 1rq8 h SER 12 N 0.59 0.00 -0.07 -3.80 4.64 -1.54 -3.31 113.55 110.06 1rq8 h SER 12 Ca 0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1rq8 h SER 12 Cb 0.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1rq8 h SER 12 CO -0.41 0.69 0.03 -0.07 -0.87 0.00 0.00 176.83 176.20 1rq8 h LEU 13 N 0.00 0.09 -0.22 5.97 -0.00 -0.22 -2.26 115.31 118.67 1rq8 h LEU 13 Ca -0.01 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 1rq8 h LEU 13 Cb 1.42 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 1rq8 h LEU 13 CO 0.09 0.20 0.00 0.00 -0.00 0.00 0.00 178.44 178.73 1rq8 n ALA 14 N -2.18 1.36 -0.05 1.53 0.00 -0.73 -2.94 120.51 117.50 1rq8 n ALA 14 Ca -0.06 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 1rq8 n ALA 14 Cb 0.09 -1.17 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 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 0.47 0.00 0.00 6.17 -1.49 -3.04 115.15 117.25 1rq8 h HIS 15 Ca 0.00 -0.16 0.00 0.00 0.71 0.00 0.00 60.37 60.92 1rq8 h HIS 15 Cb 0.15 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 29.99 1rq8 h HIS 15 CO 0.00 0.82 0.00 -1.71 0.71 0.00 0.00 177.93 177.75 1rq8 n ASN 16 N -4.49 0.00 -4.99 3.26 5.15 -1.15 -4.83 115.26 108.21 1rq8 n ASN 16 Ca -0.07 -0.67 -0.19 0.00 -0.60 0.00 0.00 54.58 53.05 1rq8 n ASN 16 Cb 0.41 -0.10 0.02 0.00 -0.53 0.00 0.00 39.78 39.58 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 -2.20 3.15 0.04 -1.44 1.01 -1.15 -5.11 121.20 115.50 1rq8 s ILE 17 Ca 0.40 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1rq8 s ILE 17 Cb 0.21 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1rq8 s ILE 17 CO 0.39 -0.06 -0.04 -0.62 0.00 0.00 0.00 174.94 174.61 1rq8 s ASP 18 N -4.34 4.78 0.46 3.58 2.15 -1.26 -5.00 116.67 117.04 1rq8 s ASP 18 Ca 0.54 -0.17 -0.22 0.00 0.43 0.00 0.00 52.55 53.13 1rq8 s ASP 18 Cb -0.10 -1.11 -0.08 0.00 -0.30 0.00 0.00 42.92 41.32 1rq8 s ASP 18 CO 0.35 0.24 1.07 -2.16 -0.17 0.00 0.00 175.17 174.50 1rq8 s PRO 19 N -1.81 3.87 -0.02 4.34 0.04 -1.24 -4.70 135.00 135.47 1rq8 s PRO 19 Ca 0.21 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.79 1rq8 s PRO 19 Cb -0.11 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 1rq8 s PRO 19 CO 0.12 -0.40 0.08 -0.89 0.04 0.00 0.00 177.00 175.95 1rq8 n ILE 20 N -0.64 0.11 -4.55 0.56 -0.00 -1.26 -5.01 119.36 108.57 1rq8 n ILE 20 Ca 0.08 -0.14 -0.32 0.00 -0.00 0.00 0.00 62.75 62.36 1rq8 n ILE 20 Cb 0.51 -0.04 -0.11 0.00 -0.00 0.00 0.00 39.64 39.99 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 -2.27 2.84 -0.08 1.39 -0.12 -1.26 -5.02 117.98 113.46 1rq8 s PHE 21 Ca -0.02 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.78 1rq8 s PHE 21 Cb 0.03 -1.61 0.03 0.00 -0.63 0.00 0.00 43.02 40.84 1rq8 s PHE 21 CO 0.21 0.33 -0.00 -1.14 -0.05 0.00 0.00 175.22 174.57 1rq8 s GLN 22 N -1.28 0.68 0.22 1.99 0.74 -1.26 -2.95 119.66 117.80 1rq8 s GLN 22 Ca 0.16 0.07 -0.19 0.00 0.05 0.00 0.00 55.36 55.45 1rq8 s GLN 22 Cb -0.11 -1.05 -0.08 0.00 1.10 0.00 0.00 33.01 32.87 1rq8 s GLN 22 CO 0.06 -0.31 0.71 0.42 -0.55 0.00 0.00 175.29 175.62 1rq8 s ILE 23 N 1.95 4.60 0.52 -2.34 1.01 -0.64 -4.98 121.20 121.32 1rq8 s ILE 23 Ca 0.05 1.21 -0.05 0.00 0.00 0.00 0.00 60.65 61.86 1rq8 s ILE 23 Cb -0.12 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1rq8 s ILE 23 CO -0.06 0.17 0.82 -0.83 0.00 0.00 0.00 174.94 175.05 1rq8 s GLY 24 N -1.71 1.54 -0.37 6.18 0.00 -1.26 -2.38 107.32 109.32 1rq8 s GLY 24 Ca 0.44 -0.60 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 1rq8 s GLY 24 CO 0.20 -0.39 1.54 1.25 0.00 0.00 0.00 173.10 175.70 1rq8 s LYS 25 N -4.83 3.54 0.00 2.90 2.36 -1.25 -3.92 119.74 118.54 1rq8 s LYS 25 Ca 0.50 1.16 0.00 0.00 -2.55 0.00 0.00 55.97 55.07 1rq8 s LYS 25 Cb -0.10 -4.07 0.00 0.00 -1.05 0.00 0.00 37.83 32.61 1rq8 s LYS 25 CO 0.45 -1.61 0.00 0.41 1.55 0.00 0.00 175.35 176.15 1rq8 n GLY 26 N 5.11 0.83 0.00 5.54 0.00 -1.26 -5.07 105.19 110.34 1rq8 n GLY 26 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 3.62 3.64 -0.02 0.00 -1.25 -5.07 105.19 106.10 1rq8 n GLY 27 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 3.42 0.03 -0.61 1.01 -1.26 -4.78 121.20 117.01 1rq8 s ILE 28 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1rq8 s ILE 28 Cb 0.00 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1rq8 s ILE 28 CO 0.00 -0.15 0.12 0.20 0.00 0.00 0.00 174.94 175.11 1rq8 s ASN 29 N 4.85 5.84 0.49 3.58 0.01 -1.26 -4.99 114.94 123.47 1rq8 s ASN 29 Ca 0.80 0.15 0.16 0.00 -0.71 0.00 0.00 52.86 53.26 1rq8 s ASN 29 Cb -0.31 -1.69 1.18 0.00 0.41 0.00 0.00 41.25 40.84 1rq8 s ASN 29 CO 0.33 0.22 2.07 -0.08 -1.51 0.00 0.00 177.10 178.13 1rq8 h GLU 30 N 3.63 0.17 -0.94 -0.60 4.81 -1.98 -0.69 114.58 118.99 1rq8 h GLU 30 Ca -0.48 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 58.94 1rq8 h GLU 30 Cb 1.17 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.40 1rq8 h GLU 30 CO 0.67 0.11 0.51 -0.91 -0.73 0.00 0.00 179.01 178.66 1rq8 h ASN 31 N 0.17 0.59 0.71 1.04 2.35 -1.99 1.59 115.58 120.04 1rq8 h ASN 31 Ca 0.13 0.12 -0.16 0.00 -0.55 0.00 0.00 56.30 55.84 1rq8 h ASN 31 Cb 0.32 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1rq8 h ASN 31 CO -0.02 0.17 -0.74 -0.03 -1.65 0.00 0.00 177.43 175.16 1rq8 h MET 32 N 0.61 0.02 0.00 0.81 4.05 -1.52 -2.85 114.93 116.06 1rq8 h MET 32 Ca 0.55 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.82 1rq8 h MET 32 Cb 0.93 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 1rq8 h MET 32 CO -0.43 0.75 -0.64 0.82 0.23 0.00 0.00 176.91 177.64 1rq8 h ILE 33 N 0.02 1.44 -0.51 1.77 1.08 0.13 0.17 117.51 121.60 1rq8 h ILE 33 Ca -0.01 -2.23 0.05 0.00 -0.39 0.00 0.00 64.86 62.28 1rq8 h ILE 33 Cb 1.30 2.21 -0.05 0.00 -3.07 0.00 0.00 36.82 37.22 1rq8 h ILE 33 CO 0.10 0.63 0.25 0.11 -0.69 0.00 0.00 178.15 178.55 1rq8 h LYS 34 N 0.00 0.47 0.11 2.37 1.79 0.20 1.63 116.57 123.15 1rq8 h LYS 34 Ca -0.01 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1rq8 h LYS 34 Cb 1.16 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1rq8 h LYS 34 CO 0.08 0.31 -0.05 0.37 -1.08 0.00 0.00 179.45 179.08 1rq8 h GLN 35 N 0.49 -0.14 -0.86 3.15 4.15 -1.46 -3.13 115.11 117.31 1rq8 h GLN 35 Ca 0.23 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.85 1rq8 h GLN 35 Cb 0.15 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.82 1rq8 h GLN 35 CO -0.17 0.36 0.58 0.82 -1.93 0.00 0.00 178.83 178.48 1rq8 h ILE 36 N -0.82 0.70 0.21 2.39 2.04 -0.37 0.20 117.51 121.87 1rq8 h ILE 36 Ca -0.02 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1rq8 h ILE 36 Cb 0.56 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1rq8 h ILE 36 CO 0.02 0.07 -0.32 -0.78 0.00 0.00 0.00 178.15 177.14 1rq8 h ASP 37 N 0.38 -0.91 -0.09 1.72 3.58 0.25 0.12 116.42 121.47 1rq8 h ASP 37 Ca 0.44 0.09 -0.17 0.00 0.42 0.00 0.00 57.03 57.81 1rq8 h ASP 37 Cb 1.13 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 42.50 1rq8 h ASP 37 CO -0.15 -0.43 -0.57 -0.78 -2.88 0.00 0.00 179.24 174.43 1rq8 h ASP 38 N -0.61 0.77 -0.57 2.28 1.82 -1.16 0.35 116.42 119.30 1rq8 h ASP 38 Ca 0.01 -0.42 0.05 0.00 -0.39 0.00 0.00 57.03 56.28 1rq8 h ASP 38 Cb 0.59 -0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.33 1rq8 h ASP 38 CO -0.13 1.17 0.29 0.74 -1.61 0.00 0.00 179.24 179.70 1rq8 h THR 39 N 0.52 0.94 0.03 2.25 2.02 -0.35 -2.16 112.91 116.16 1rq8 h THR 39 Ca 0.01 -0.19 -0.29 0.00 0.77 0.00 0.00 66.41 66.71 1rq8 h THR 39 Cb 1.14 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1rq8 h THR 39 CO 0.11 0.10 -1.59 0.17 0.37 0.00 0.00 175.52 174.68 1rq8 h LEU 40 N 0.55 0.10 -2.52 2.58 8.10 -0.74 -2.81 115.31 120.56 1rq8 h LEU 40 Ca 0.25 -0.18 0.00 0.00 0.11 0.00 0.00 57.88 58.07 1rq8 h LEU 40 Cb 0.17 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 1rq8 h LEU 40 CO -0.18 1.15 0.00 -0.08 -4.11 0.00 0.00 178.44 175.23 1rq8 h GLU 41 N 0.02 0.00 0.00 0.17 4.22 -0.06 -2.15 114.58 116.78 1rq8 h GLU 41 Ca -0.25 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.08 1rq8 h GLU 41 Cb 1.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.20 1rq8 h GLU 41 CO 0.10 0.00 -1.72 -1.71 -2.18 0.00 0.00 179.01 173.50 1rq8 n ASN 42 N -2.85 1.99 -2.60 1.04 5.15 -0.83 -4.90 115.26 112.26 1rq8 n ASN 42 Ca -0.02 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.91 1rq8 n ASN 42 Cb 0.06 1.19 0.01 0.00 -0.53 0.00 0.00 39.78 40.51 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 -2.21 1.06 -0.01 1.20 1.74 -0.81 -3.82 116.66 113.81 1rq8 n ARG 43 Ca -0.11 -0.67 -0.01 0.00 -0.77 0.00 0.00 57.85 56.29 1rq8 n ARG 43 Cb 0.63 -0.01 -0.01 0.00 -1.02 0.00 0.00 32.46 32.06 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 -1.09 0.03 -4.33 5.56 1.02 -1.26 -4.42 120.64 116.15 1rq8 n GLU 44 Ca 0.02 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.83 1rq8 n GLU 44 Cb 0.13 -0.88 -0.11 0.00 -0.02 0.00 0.00 31.44 30.55 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 -5.37 3.42 -0.16 -4.62 2.96 -1.26 -2.30 118.68 111.34 1rq8 s LEU 45 Ca -0.02 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1rq8 s LEU 45 Cb 0.01 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1rq8 s LEU 45 CO 0.03 0.22 -0.15 0.27 -1.32 0.00 0.00 176.35 175.39 1rq8 s ILE 46 N 0.07 1.71 -0.42 6.68 -4.36 0.15 -4.99 121.20 120.04 1rq8 s ILE 46 Ca 0.01 -0.75 -0.11 0.00 -0.26 0.00 0.00 60.65 59.54 1rq8 s ILE 46 Cb -0.13 -1.60 0.06 0.00 1.25 0.00 0.00 42.46 42.04 1rq8 s ILE 46 CO 0.02 0.45 0.28 -1.59 0.24 0.00 0.00 174.94 174.35 1rq8 s LYS 47 N 1.43 2.76 0.00 0.37 0.00 -1.26 -0.97 119.74 122.07 1rq8 s LYS 47 Ca 0.04 -1.33 -0.02 0.00 0.00 0.00 0.00 55.97 54.67 1rq8 s LYS 47 Cb -0.13 -3.87 -0.04 0.00 0.00 0.00 0.00 37.83 33.79 1rq8 s LYS 47 CO -0.11 -0.91 0.15 0.08 0.00 0.00 0.00 175.35 174.57 1rq8 s VAL 48 N 1.52 5.21 -0.45 1.79 1.01 0.11 -3.73 120.40 125.85 1rq8 s VAL 48 Ca 0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1rq8 s VAL 48 Cb -0.22 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 32.81 1rq8 s VAL 48 CO 0.05 0.31 0.33 -2.28 0.00 0.00 0.00 175.10 173.51 1rq8 s HIS 49 N -1.31 3.30 -0.07 5.22 2.46 -1.15 0.20 115.29 123.94 1rq8 s HIS 49 Ca 0.27 -1.28 -0.10 0.00 0.47 0.00 0.00 55.06 54.41 1rq8 s HIS 49 Cb -0.12 -3.12 -0.05 0.00 -0.13 0.00 0.00 32.58 29.16 1rq8 s HIS 49 CO 0.18 -0.84 0.25 0.08 -2.47 0.00 0.00 174.74 171.94 1rq8 s VAL 50 N 1.52 5.31 -0.33 0.89 1.01 -0.11 -1.62 120.40 127.08 1rq8 s VAL 50 Ca 0.04 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1rq8 s VAL 50 Cb -0.24 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.72 1rq8 s VAL 50 CO 0.04 0.60 2.40 0.18 0.00 0.00 0.00 175.10 178.32 1rq8 n LEU 51 N 1.94 6.33 0.05 3.92 7.99 -1.00 -4.37 117.00 131.86 1rq8 n LEU 51 Ca -0.17 -3.51 0.12 0.00 -0.01 0.00 0.00 56.01 52.44 1rq8 n LEU 51 Cb 0.54 -1.15 0.26 0.00 -0.11 0.00 0.00 43.42 42.96 1rq8 n LEU 51 CO 0.34 1.42 0.50 1.67 -1.51 0.00 0.00 177.39 179.82 1rq8 n GLN 52 N 0.75 0.21 0.00 3.23 -0.06 -1.26 -3.76 117.38 116.49 1rq8 n GLN 52 Ca 0.36 0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.44 1rq8 n GLN 52 Cb 0.59 -1.65 0.00 0.00 -4.06 0.00 0.00 30.24 25.12 1rq8 n GLN 52 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1rq8 n ASN 53 N -1.97 0.00 -4.68 1.69 4.13 -1.26 -4.80 115.26 108.37 1rq8 n ASN 53 Ca 0.04 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.95 1rq8 n ASN 53 Cb 0.41 0.00 0.10 0.00 -1.54 0.00 0.00 39.78 38.75 1rq8 n ASN 53 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1rq8 n ASN 54 N 1.17 1.24 -0.07 6.41 5.03 -1.26 -4.86 115.26 122.92 1rq8 n ASN 54 Ca 0.00 0.69 -0.06 0.00 0.87 0.00 0.00 54.58 56.08 1rq8 n ASN 54 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 39.78 37.22 1rq8 n ASN 54 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1rq8 h PHE 55 N -0.27 0.00 -0.04 3.10 3.57 -2.00 -2.89 116.94 118.42 1rq8 h PHE 55 Ca -0.48 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.03 1rq8 h PHE 55 Cb 1.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.06 1rq8 h PHE 55 CO 0.43 0.33 0.15 0.22 -2.23 0.00 0.00 178.31 177.21 1rq8 h ASP 56 N -1.00 0.00 0.41 0.41 3.58 -1.99 0.14 116.42 117.98 1rq8 h ASP 56 Ca -0.04 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.10 1rq8 h ASP 56 Cb 0.46 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.52 1rq8 h ASP 56 CO -0.02 0.00 -1.44 0.44 -2.88 0.00 0.00 179.24 175.33 1rq8 h ASP 57 N 0.00 0.60 -0.70 2.28 3.32 -1.93 -3.10 116.42 116.89 1rq8 h ASP 57 Ca 0.02 -0.70 -0.05 0.00 0.02 0.00 0.00 57.03 56.33 1rq8 h ASP 57 Cb 0.32 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1rq8 h ASP 57 CO -0.00 1.56 0.26 0.50 -1.72 0.00 0.00 179.24 179.83 1rq8 h LYS 58 N 0.11 1.06 0.10 3.56 3.64 -0.52 -1.78 116.57 122.73 1rq8 h LYS 58 Ca -0.22 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1rq8 h LYS 58 Cb 2.07 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 1rq8 h LYS 58 CO 0.22 0.89 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.97 1rq8 h LYS 59 N 1.01 -0.22 -0.75 1.90 3.11 -1.40 -1.78 116.57 118.44 1rq8 h LYS 59 Ca 0.23 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.18 1rq8 h LYS 59 Cb 0.24 0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 31.45 1rq8 h LYS 59 CO -0.01 -0.14 0.40 1.49 -2.81 0.00 0.00 179.45 178.37 1rq8 h GLU 60 N -0.22 0.64 -0.75 1.90 4.22 -1.43 0.40 114.58 119.34 1rq8 h GLU 60 Ca 0.01 -0.04 0.15 0.00 0.08 0.00 0.00 59.36 59.56 1rq8 h GLU 60 Cb 0.22 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1rq8 h GLU 60 CO -0.03 0.43 0.50 -0.07 -2.18 0.00 0.00 179.01 177.66 1rq8 h LEU 61 N 0.66 0.38 -1.76 1.64 4.07 -0.61 1.25 115.31 120.95 1rq8 h LEU 61 Ca 0.37 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.33 1rq8 h LEU 61 Cb 0.38 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1rq8 h LEU 61 CO -0.27 0.20 -0.06 0.00 -1.08 0.00 0.00 178.44 177.23 1rq8 h ALA 62 N 1.65 1.80 -0.58 1.53 0.00 0.61 0.43 119.26 124.71 1rq8 h ALA 62 Ca 0.37 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1rq8 h ALA 62 Cb 0.85 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1rq8 h ALA 62 CO -0.12 0.15 0.39 1.49 0.00 0.00 0.00 179.25 181.16 1rq8 h GLU 63 N 0.08 0.40 0.00 0.00 4.22 0.19 1.66 114.58 121.13 1rq8 h GLU 63 Ca 0.02 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 1rq8 h GLU 63 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1rq8 h GLU 63 CO 0.01 0.27 -0.48 1.15 -2.18 0.00 0.00 179.01 177.77 1rq8 h THR 64 N 0.42 0.98 0.31 0.32 2.02 -0.46 -2.96 112.91 113.53 1rq8 h THR 64 Ca 0.27 -1.90 -0.01 0.00 0.77 0.00 0.00 66.41 65.53 1rq8 h THR 64 Cb 0.50 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1rq8 h THR 64 CO -0.07 0.33 -0.15 -0.07 0.37 0.00 0.00 175.52 175.93 1rq8 h LEU 65 N -1.00 -0.35 -0.65 2.58 3.38 0.14 0.42 115.31 119.84 1rq8 h LEU 65 Ca -0.12 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1rq8 h LEU 65 Cb 0.87 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1rq8 h LEU 65 CO -0.07 -0.17 0.29 0.77 0.09 0.00 0.00 178.44 179.35 1rq8 h SER 66 N -0.50 0.34 -0.30 -0.43 4.64 0.23 1.22 113.55 118.75 1rq8 h SER 66 Ca -0.04 0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 1rq8 h SER 66 Cb 0.38 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1rq8 h SER 66 CO 0.07 0.20 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.58 1rq8 h GLU 67 N 0.50 0.82 -0.00 4.77 4.39 -1.33 -0.96 114.58 122.77 1rq8 h GLU 67 Ca 0.32 -0.39 -0.19 0.00 0.34 0.00 0.00 59.36 59.44 1rq8 h GLU 67 Cb 0.36 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1rq8 h GLU 67 CO -0.28 1.02 -0.86 0.00 -1.16 0.00 0.00 179.01 177.74 1rq8 h ALA 68 N 0.94 0.55 -0.01 3.43 0.00 0.91 -3.09 119.26 122.00 1rq8 h ALA 68 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1rq8 h ALA 68 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1rq8 h ALA 68 CO 0.08 0.91 -0.09 0.25 0.00 0.00 0.00 179.25 180.40 1rq8 n THR 69 N -3.67 0.00 -2.61 0.00 -2.24 0.41 -4.90 114.28 101.28 1rq8 n THR 69 Ca -0.03 -0.10 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1rq8 n THR 69 Cb 0.79 0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.68 -2.52 -1.46 -0.78 1.74 -0.39 -4.83 116.66 107.74 1rq8 n ARG 70 Ca 0.16 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 1rq8 n ARG 70 Cb 0.28 -5.30 0.00 0.00 -1.02 0.00 0.00 32.46 26.42 1rq8 n ARG 70 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1rq8 n SER 71 N -1.95 1.86 -3.90 0.55 3.41 -1.05 -4.54 113.62 107.99 1rq8 n SER 71 Ca -0.14 -0.73 -0.25 0.00 -0.26 0.00 0.00 58.87 57.50 1rq8 n SER 71 Cb 0.61 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.39 1rq8 n SER 71 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1rq8 s GLU 72 N -1.19 1.30 -0.34 4.33 -6.30 -1.15 -4.73 118.70 110.62 1rq8 s GLU 72 Ca 0.00 -0.20 -0.27 0.00 -2.50 0.00 0.00 54.97 52.00 1rq8 s GLU 72 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 34.13 32.74 1rq8 s GLU 72 CO 0.00 -0.19 2.26 -1.17 0.02 0.00 0.00 175.26 176.18 1rq8 s LEU 73 N 1.42 3.42 0.32 2.70 0.20 -1.26 -2.74 118.68 122.75 1rq8 s LEU 73 Ca -0.01 1.49 0.14 0.00 0.69 0.00 0.00 54.13 56.43 1rq8 s LEU 73 Cb -0.13 -3.09 0.51 0.00 -0.43 0.00 0.00 46.19 43.04 1rq8 s LEU 73 CO -0.04 -2.32 1.67 -0.37 -0.29 0.00 0.00 176.35 175.00 1rq8 h VAL 74 N 7.34 1.21 0.00 1.68 -1.51 -0.18 -3.48 116.25 121.31 1rq8 h VAL 74 Ca -0.33 -1.83 0.00 0.00 -1.23 0.00 0.00 66.70 63.31 1rq8 h VAL 74 Cb 1.24 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1rq8 h VAL 74 CO 1.05 0.50 0.00 1.67 -1.23 0.00 0.00 177.57 179.56 1rq8 n GLN 75 N -3.72 -0.10 -3.96 5.19 -0.06 -0.76 -4.75 117.38 109.22 1rq8 n GLN 75 Ca -0.01 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.68 1rq8 n GLN 75 Cb 0.56 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 26.59 1rq8 n GLN 75 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1rq8 s VAL 76 N -2.00 1.74 0.47 1.69 1.01 -1.26 0.26 120.40 122.31 1rq8 s VAL 76 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 61.98 60.35 1rq8 s VAL 76 Cb 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 1rq8 s VAL 76 CO 0.00 -0.22 0.87 -0.63 0.00 0.00 0.00 175.10 175.12 1rq8 s ILE 77 N 1.27 4.71 -0.54 2.22 1.09 0.45 -4.87 121.20 125.52 1rq8 s ILE 77 Ca -0.02 0.79 -0.40 0.00 -1.10 0.00 0.00 60.65 59.92 1rq8 s ILE 77 Cb -0.19 -3.76 -0.17 0.00 -1.06 0.00 0.00 42.46 37.28 1rq8 s ILE 77 CO -0.08 -0.68 2.24 0.61 -0.10 0.00 0.00 174.94 176.93 1rq8 n GLY 78 N -1.65 -0.05 3.45 6.18 0.00 -1.26 0.20 105.19 112.06 1rq8 n GLY 78 Ca 0.04 1.07 0.00 0.00 0.00 0.00 0.00 46.02 47.13 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 8.65 0.00 -4.28 1.61 7.64 -1.26 -4.97 113.62 121.00 1rq8 n SER 79 Ca 0.53 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 60.14 1rq8 n SER 79 Cb 0.04 -0.97 -0.14 0.00 -1.01 0.00 0.00 64.21 62.13 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 -0.36 1.56 -0.09 1.43 1.00 0.53 -0.93 119.30 122.43 1rq8 s MET 80 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 55.69 54.70 1rq8 s MET 80 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 34.83 33.12 1rq8 s MET 80 CO 0.00 0.44 -0.10 0.42 0.00 0.00 0.00 175.02 175.77 1rq8 s ILE 81 N -0.78 3.37 -0.35 2.53 1.01 0.54 0.17 121.20 127.68 1rq8 s ILE 81 Ca 0.09 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 1rq8 s ILE 81 Cb -0.09 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 40.02 1rq8 s ILE 81 CO 0.02 0.56 0.14 -0.69 0.00 0.00 0.00 174.94 174.96 1rq8 s VAL 82 N -0.29 4.06 0.12 2.92 1.01 0.73 0.04 120.40 128.99 1rq8 s VAL 82 Ca 0.03 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1rq8 s VAL 82 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1rq8 s VAL 82 CO 0.03 -0.18 -0.09 -0.63 0.00 0.00 0.00 175.10 174.23 1rq8 s ILE 83 N 1.46 0.91 -0.18 2.22 1.01 -0.14 0.59 121.20 127.08 1rq8 s ILE 83 Ca -0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 60.65 58.71 1rq8 s ILE 83 Cb -0.19 -1.67 0.05 0.00 0.01 0.00 0.00 42.46 40.66 1rq8 s ILE 83 CO 0.04 -0.76 0.02 -0.47 0.00 0.00 0.00 174.94 173.77 1rq8 s TYR 84 N -3.26 1.07 -0.33 3.97 5.04 -1.11 0.32 117.35 123.06 1rq8 s TYR 84 Ca 0.12 -0.81 -0.18 0.00 -2.44 0.00 0.00 57.07 53.76 1rq8 s TYR 84 Cb 0.03 -1.04 -0.01 0.00 0.35 0.00 0.00 41.96 41.29 1rq8 s TYR 84 CO -0.02 -0.58 0.49 0.50 -1.34 0.00 0.00 175.55 174.61 1rq8 s ARG 85 N 1.84 3.71 0.00 4.97 6.06 -0.97 -2.93 118.95 131.63 1rq8 s ARG 85 Ca -0.00 -0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.14 1rq8 s ARG 85 Cb -0.16 -3.77 0.00 0.00 0.06 0.00 0.00 34.95 31.07 1rq8 s ARG 85 CO -0.07 -0.57 0.00 -0.85 -2.50 0.00 0.00 175.30 171.31 1rq8 n GLU 86 N 5.66 0.00 -4.35 5.12 0.28 -1.26 -4.71 120.64 121.38 1rq8 n GLU 86 Ca -0.05 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.74 1rq8 n GLU 86 Cb 0.49 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.23 1rq8 n GLU 86 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1rq8 s SER 87 N -1.46 1.75 0.32 -1.84 0.01 -1.26 -4.87 113.70 106.36 1rq8 s SER 87 Ca 0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1rq8 s SER 87 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1rq8 s SER 87 CO 0.00 0.03 0.00 1.17 0.41 0.00 0.00 173.24 174.85 1rq8 n LYS 88 N 1.80 0.00 -3.48 12.44 3.00 -1.26 -5.06 118.16 125.60 1rq8 n LYS 88 Ca -0.18 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.75 1rq8 n LYS 88 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.49 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 -1.78 4.07 -1.08 1.64 2.12 -1.25 -4.96 118.70 117.47 1rq8 s GLU 89 Ca 0.00 -0.03 -0.27 0.00 0.36 0.00 0.00 54.97 55.03 1rq8 s GLU 89 Cb 0.00 -3.59 -0.23 0.00 0.26 0.00 0.00 34.13 30.57 1rq8 s GLU 89 CO 0.00 -0.10 2.13 -0.80 -0.54 0.00 0.00 175.26 175.95 1rq8 s ASN 90 N 1.31 3.32 0.23 -1.70 -0.87 -1.26 -4.66 114.94 111.32 1rq8 s ASN 90 Ca 0.13 -0.93 0.04 0.00 -1.57 0.00 0.00 52.86 50.54 1rq8 s ASN 90 Cb -0.15 -2.60 -0.03 0.00 -0.02 0.00 0.00 41.25 38.45 1rq8 s ASN 90 CO 0.08 -4.88 0.36 -0.54 -2.57 0.00 0.00 177.10 169.56 1rq8 s LYS 91 N 8.59 3.45 -0.63 -0.60 1.02 -1.26 -4.94 119.74 125.36 1rq8 s LYS 91 Ca 0.82 -0.69 -0.26 0.00 0.02 0.00 0.00 55.97 55.86 1rq8 s LYS 91 Cb -0.05 -2.89 -0.24 0.00 -0.52 0.00 0.00 37.83 34.13 1rq8 s LYS 91 CO 0.18 0.42 1.84 0.39 -0.92 0.00 0.00 175.35 177.27 1rq8 n GLU 92 N -1.27 0.73 -4.36 1.68 1.02 -1.26 -4.84 120.64 112.34 1rq8 n GLU 92 Ca -0.08 -1.63 -0.34 0.00 -0.02 0.00 0.00 57.16 55.09 1rq8 n GLU 92 Cb 0.56 -3.10 -0.13 0.00 -0.02 0.00 0.00 31.44 28.76 1rq8 n GLU 92 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rq8 s ILE 93 N 9.03 3.75 0.14 -3.67 -1.09 -1.26 -5.09 121.20 123.00 1rq8 s ILE 93 Ca 0.68 -0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 1rq8 s ILE 93 Cb 0.09 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1rq8 s ILE 93 CO 0.22 0.48 0.22 -0.70 -1.23 0.00 0.00 174.94 173.93 1rq8 s GLU 94 N 0.55 3.27 -0.43 2.79 2.56 -1.26 -5.04 118.70 121.14 1rq8 s GLU 94 Ca -0.03 -0.65 0.05 0.00 0.00 0.00 0.00 54.97 54.34 1rq8 s GLU 94 Cb -0.14 -2.88 0.30 0.00 2.00 0.00 0.00 34.13 33.41 1rq8 s GLU 94 CO 0.03 0.53 1.14 -0.11 -0.56 0.00 0.00 175.26 176.29 1rq8 n LEU 95 N -0.32 -2.14 0.00 2.70 7.94 -1.26 -4.62 117.00 119.30 1rq8 n LEU 95 Ca -0.07 -3.10 0.11 0.00 -1.11 0.00 0.00 56.01 51.84 1rq8 n LEU 95 Cb 0.54 0.90 0.66 0.00 0.53 0.00 0.00 43.42 46.05 1rq8 n LEU 95 CO 0.47 1.93 0.85 -0.81 -1.11 0.00 0.00 177.39 178.72