#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rq8 s LEU 2 N 0.00 4.45 0.39 4.03 0.20 -1.26 -5.05 118.68 121.44 1rq8 s LEU 2 Ca 0.00 1.38 0.08 0.00 0.69 0.00 0.00 54.13 56.27 1rq8 s LEU 2 Cb 0.00 -3.15 -0.06 0.00 -0.43 0.00 0.00 46.19 42.55 1rq8 s LEU 2 CO 0.00 0.05 0.09 0.28 -0.29 0.00 0.00 176.35 176.49 1rq8 s THR 3 N -0.16 2.31 0.24 3.68 -1.32 -1.26 -4.90 115.64 114.22 1rq8 s THR 3 Ca 0.36 -1.84 -0.13 0.00 -1.21 0.00 0.00 61.69 58.86 1rq8 s THR 3 Cb -0.20 -2.95 0.31 0.00 -1.51 0.00 0.00 72.50 68.15 1rq8 s THR 3 CO 0.21 -0.05 1.57 1.23 -2.21 0.00 0.00 174.62 175.38 1rq8 h GLY 4 N 1.61 0.37 0.92 6.08 0.00 -1.98 0.47 103.07 110.55 1rq8 h GLY 4 Ca -0.43 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1rq8 h GLY 4 CO 0.72 -0.28 -0.04 1.70 0.00 0.00 0.00 176.54 178.63 1rq8 h LYS 5 N -0.03 -0.09 -0.79 4.80 1.63 -1.96 0.29 116.57 120.43 1rq8 h LYS 5 Ca 0.38 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.23 1rq8 h LYS 5 Cb 0.62 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.22 1rq8 h LYS 5 CO -0.90 -0.06 0.49 1.96 -3.45 0.00 0.00 179.45 177.49 1rq8 h GLN 6 N -0.09 0.90 -0.93 1.90 4.20 -1.08 -1.12 115.11 118.89 1rq8 h GLN 6 Ca 0.01 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1rq8 h GLN 6 Cb 0.10 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 1rq8 h GLN 6 CO -0.02 0.60 0.62 -0.22 -0.67 0.00 0.00 178.83 179.13 1rq8 h LYS 7 N 0.93 1.22 -0.22 1.46 3.64 0.42 -2.58 116.57 121.44 1rq8 h LYS 7 Ca 0.33 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1rq8 h LYS 7 Cb 0.08 -0.28 -0.07 0.00 -0.41 0.00 0.00 32.23 31.56 1rq8 h LYS 7 CO -0.14 0.81 -0.33 -0.09 -2.27 0.00 0.00 179.45 177.43 1rq8 h ARG 8 N 1.26 -0.34 0.33 1.90 2.43 0.38 1.78 114.38 122.12 1rq8 h ARG 8 Ca 0.35 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1rq8 h ARG 8 Cb -0.13 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1rq8 h ARG 8 CO -0.08 -0.23 -0.16 1.88 -1.51 0.00 0.00 179.97 179.87 1rq8 h TYR 9 N -0.36 -0.42 -0.28 2.20 -1.99 -1.49 -3.13 116.97 111.51 1rq8 h TYR 9 Ca 0.12 -0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.65 1rq8 h TYR 9 Cb 0.55 0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1rq8 h TYR 9 CO -0.46 -0.12 -0.54 1.25 -0.00 0.00 0.00 178.16 178.29 1rq8 h LEU 10 N -0.68 0.96 -1.53 3.88 6.46 -1.24 -2.83 115.31 120.32 1rq8 h LEU 10 Ca -0.05 -0.54 0.19 0.00 -0.12 0.00 0.00 57.88 57.37 1rq8 h LEU 10 Cb 0.48 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.07 1rq8 h LEU 10 CO 0.08 1.31 0.57 -0.09 -0.62 0.00 0.00 178.44 179.69 1rq8 h ARG 11 N 0.63 0.39 0.00 1.25 1.12 0.27 0.24 114.38 118.29 1rq8 h ARG 11 Ca 0.01 -0.02 -0.16 0.00 -1.11 0.00 0.00 59.98 58.70 1rq8 h ARG 11 Cb 1.15 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.00 1rq8 h ARG 11 CO 0.12 0.26 -0.75 1.03 -3.11 0.00 0.00 179.97 177.52 1rq8 h SER 12 N 0.41 0.00 -0.21 -3.80 0.87 -1.47 -3.31 113.55 106.03 1rq8 h SER 12 Ca 0.44 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1rq8 h SER 12 Cb 1.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1rq8 h SER 12 CO -0.16 0.75 0.13 -0.07 -0.53 0.00 0.00 176.83 176.94 1rq8 h LEU 13 N 0.00 0.25 -1.48 2.23 -0.00 -0.27 -2.77 115.31 113.28 1rq8 h LEU 13 Ca -0.01 -0.05 0.44 0.00 -0.00 0.00 0.00 57.88 58.26 1rq8 h LEU 13 Cb 1.52 -0.06 -0.12 0.00 -0.00 0.00 0.00 40.66 41.99 1rq8 h LEU 13 CO 0.10 0.23 0.90 0.00 -0.00 0.00 0.00 178.44 179.67 1rq8 h ALA 14 N 1.03 2.84 -0.84 1.53 0.00 -1.59 0.78 119.26 123.01 1rq8 h ALA 14 Ca 0.07 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1rq8 h ALA 14 Cb 0.02 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1rq8 h ALA 14 CO -0.01 -1.45 0.45 0.45 0.00 0.00 0.00 179.25 178.69 1rq8 h HIS 15 N 0.08 0.81 0.00 0.00 3.86 -1.69 -0.13 115.15 118.08 1rq8 h HIS 15 Ca 0.82 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 60.06 1rq8 h HIS 15 Cb 2.65 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 30.89 1rq8 h HIS 15 CO -0.00 0.25 -0.30 -1.71 0.86 0.00 0.00 177.93 177.03 1rq8 n ASN 16 N -4.81 0.56 -4.93 2.45 5.15 0.26 -4.88 115.26 109.05 1rq8 n ASN 16 Ca 0.16 0.26 -0.25 0.00 -0.60 0.00 0.00 54.58 54.15 1rq8 n ASN 16 Cb 0.37 -0.23 0.04 0.00 -0.53 0.00 0.00 39.78 39.43 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 -3.08 3.08 0.12 -1.44 1.01 -0.06 -5.09 121.20 115.73 1rq8 s ILE 17 Ca 0.10 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1rq8 s ILE 17 Cb 0.15 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1rq8 s ILE 17 CO 0.64 -0.24 -0.01 -1.81 0.00 0.00 0.00 174.94 173.52 1rq8 s ASP 18 N -4.39 4.90 -0.71 3.58 1.11 -1.26 -4.97 116.67 114.94 1rq8 s ASP 18 Ca 0.56 -0.26 -0.26 0.00 0.18 0.00 0.00 52.55 52.77 1rq8 s ASP 18 Cb -0.11 -1.11 -0.12 0.00 1.07 0.00 0.00 42.92 42.65 1rq8 s ASP 18 CO 0.44 0.15 2.42 -0.81 1.18 0.00 0.00 175.17 178.54 1rq8 n PRO 19 N 0.36 0.69 0.05 8.23 -0.04 -1.26 -3.86 135.00 139.18 1rq8 n PRO 19 Ca -0.11 -0.61 -0.03 0.00 -0.04 0.00 0.00 63.50 62.71 1rq8 n PRO 19 Cb 0.53 -3.62 -0.02 0.00 -0.04 0.00 0.00 33.50 30.35 1rq8 n PRO 19 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1rq8 h ILE 20 N 7.70 0.00 -2.13 0.52 6.09 -0.52 -3.45 117.51 125.73 1rq8 h ILE 20 Ca -0.07 0.00 -0.55 0.00 -1.37 0.00 0.00 64.86 62.87 1rq8 h ILE 20 Cb 1.08 0.00 -0.09 0.00 0.47 0.00 0.00 36.82 38.28 1rq8 h ILE 20 CO 1.05 0.00 -0.62 0.72 -3.07 0.00 0.00 178.15 176.23 1rq8 s PHE 21 N -3.54 2.71 0.09 2.19 -0.12 -1.24 -5.02 117.98 113.05 1rq8 s PHE 21 Ca -0.03 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 56.67 1rq8 s PHE 21 Cb 0.01 -1.31 -0.03 0.00 -0.63 0.00 0.00 43.02 41.06 1rq8 s PHE 21 CO 0.11 0.55 -0.22 -0.65 -0.05 0.00 0.00 175.22 174.97 1rq8 s GLN 22 N -3.72 1.27 0.12 1.99 -0.21 -1.26 -2.79 119.66 115.05 1rq8 s GLN 22 Ca 0.33 -1.13 -0.09 0.00 0.02 0.00 0.00 55.36 54.49 1rq8 s GLN 22 Cb -0.05 -1.53 -0.06 0.00 1.00 0.00 0.00 33.01 32.37 1rq8 s GLN 22 CO 0.21 0.37 0.43 0.42 -2.12 0.00 0.00 175.29 174.59 1rq8 s ILE 23 N -1.03 5.07 1.07 1.08 -1.09 -0.71 -4.90 121.20 120.69 1rq8 s ILE 23 Ca 0.08 0.41 -0.18 0.00 -2.23 0.00 0.00 60.65 58.73 1rq8 s ILE 23 Cb -0.10 -3.65 0.27 0.00 -1.58 0.00 0.00 42.46 37.41 1rq8 s ILE 23 CO 0.04 0.19 0.81 0.61 -1.23 0.00 0.00 174.94 175.36 1rq8 n GLY 24 N 0.62 -3.18 0.10 6.18 0.00 -1.25 -2.48 105.19 105.17 1rq8 n GLY 24 Ca -0.06 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 1rq8 n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rq8 n LYS 25 N -4.54 0.67 0.03 1.61 0.00 -1.26 -3.10 118.16 111.57 1rq8 n LYS 25 Ca 0.12 0.16 0.20 0.00 0.00 0.00 0.00 58.31 58.79 1rq8 n LYS 25 Cb 0.48 -1.65 0.72 0.00 0.00 0.00 0.00 35.03 34.57 1rq8 n LYS 25 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1rq8 h GLY 26 N 3.43 0.00 0.00 3.14 0.00 -1.94 -3.41 103.07 104.30 1rq8 h GLY 26 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1rq8 h GLY 26 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.20 1rq8 n GLY 27 N -1.59 0.16 3.61 4.60 0.00 -1.26 -5.05 105.19 105.65 1rq8 n GLY 27 Ca 0.09 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.18 4.72 -0.07 -0.61 1.01 -1.26 -3.96 121.20 117.84 1rq8 s ILE 28 Ca 0.00 1.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.80 1rq8 s ILE 28 Cb 0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1rq8 s ILE 28 CO 0.00 -0.36 -0.02 0.20 0.00 0.00 0.00 174.94 174.76 1rq8 s ASN 29 N 1.72 5.07 0.54 3.58 0.01 -1.26 -4.98 114.94 119.62 1rq8 s ASN 29 Ca 0.34 0.09 0.25 0.00 -0.71 0.00 0.00 52.86 52.83 1rq8 s ASN 29 Cb -0.13 -1.38 1.41 0.00 0.41 0.00 0.00 41.25 41.56 1rq8 s ASN 29 CO 0.15 0.37 2.02 -0.08 -1.51 0.00 0.00 177.10 178.05 1rq8 h GLU 30 N 5.12 0.00 -1.00 -0.60 4.81 -1.98 0.15 114.58 121.08 1rq8 h GLU 30 Ca -0.50 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 58.96 1rq8 h GLU 30 Cb 1.19 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.47 1rq8 h GLU 30 CO 0.54 0.00 0.64 -0.97 -0.73 0.00 0.00 179.01 178.49 1rq8 h ASN 31 N 0.00 0.52 0.00 1.04 -0.00 -1.99 1.28 115.58 116.43 1rq8 h ASN 31 Ca 0.20 0.08 -0.01 0.00 -0.00 0.00 0.00 56.30 56.57 1rq8 h ASN 31 Cb 0.83 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.14 1rq8 h ASN 31 CO -0.00 0.15 -0.03 0.24 -0.00 0.00 0.00 177.43 177.78 1rq8 h MET 32 N 0.48 0.01 -0.58 6.67 2.86 -1.06 -3.13 114.93 120.19 1rq8 h MET 32 Ca 0.56 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 58.32 1rq8 h MET 32 Cb 1.29 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.92 1rq8 h MET 32 CO -0.29 0.96 0.40 0.82 1.06 0.00 0.00 176.91 179.86 1rq8 h ILE 33 N -0.92 0.79 0.54 -1.22 2.04 -0.68 1.51 117.51 119.57 1rq8 h ILE 33 Ca -0.01 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1rq8 h ILE 33 Cb 0.97 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1rq8 h ILE 33 CO 0.01 0.03 -0.30 0.11 0.00 0.00 0.00 178.15 178.00 1rq8 h LYS 34 N 0.17 -0.76 0.06 2.37 1.79 0.15 1.64 116.57 122.00 1rq8 h LYS 34 Ca 0.28 0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1rq8 h LYS 34 Cb 0.86 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1rq8 h LYS 34 CO -0.04 -0.50 -0.03 0.37 -1.08 0.00 0.00 179.45 178.16 1rq8 h GLN 35 N -0.78 -0.08 -0.66 3.15 4.15 -1.06 -2.81 115.11 117.02 1rq8 h GLN 35 Ca -0.07 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.52 1rq8 h GLN 35 Cb 0.63 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 1rq8 h GLN 35 CO 0.09 0.31 0.46 0.82 -1.93 0.00 0.00 178.83 178.57 1rq8 h ILE 36 N -0.49 0.75 0.83 2.39 2.04 0.22 -1.23 117.51 122.02 1rq8 h ILE 36 Ca -0.01 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1rq8 h ILE 36 Cb 0.43 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1rq8 h ILE 36 CO 0.01 0.04 -0.42 -0.78 0.00 0.00 0.00 178.15 177.00 1rq8 h ASP 37 N 0.19 -1.01 -0.44 1.72 3.58 0.27 1.35 116.42 122.08 1rq8 h ASP 37 Ca 0.32 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.75 1rq8 h ASP 37 Cb 0.98 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1rq8 h ASP 37 CO -0.06 -0.70 0.04 -0.78 -2.88 0.00 0.00 179.24 174.86 1rq8 h ASP 38 N -1.14 0.73 -0.70 2.28 1.82 -1.43 0.89 116.42 118.87 1rq8 h ASP 38 Ca -0.11 -0.28 -0.05 0.00 -0.39 0.00 0.00 57.03 56.19 1rq8 h ASP 38 Cb 0.89 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 1rq8 h ASP 38 CO 0.17 0.83 0.24 0.74 -1.61 0.00 0.00 179.24 179.61 1rq8 h THR 39 N 0.61 1.25 -0.00 2.25 2.02 -1.16 -1.52 112.91 116.36 1rq8 h THR 39 Ca 0.13 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1rq8 h THR 39 Cb 0.44 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1rq8 h THR 39 CO 0.02 0.34 -0.04 -0.11 0.37 0.00 0.00 175.52 176.09 1rq8 n LEU 40 N -4.32 0.20 -0.48 2.58 0.00 0.46 -3.14 117.00 112.30 1rq8 n LEU 40 Ca 0.05 0.12 0.08 0.00 0.00 0.00 0.00 56.01 56.27 1rq8 n LEU 40 Cb 0.21 -0.20 0.03 0.00 0.00 0.00 0.00 43.42 43.46 1rq8 n LEU 40 CO 0.41 0.04 0.37 1.21 0.00 0.00 0.00 177.39 179.41 1rq8 n GLU 41 N -1.09 1.53 -0.06 1.96 2.13 0.29 -4.60 120.64 120.80 1rq8 n GLU 41 Ca 0.16 -1.09 -0.09 0.00 0.66 0.00 0.00 57.16 56.80 1rq8 n GLU 41 Cb 0.24 -1.28 -0.05 0.00 0.27 0.00 0.00 31.44 30.61 1rq8 n GLU 41 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1rq8 n ASN 42 N 0.32 2.89 0.00 4.31 4.13 -0.68 -5.03 115.26 121.20 1rq8 n ASN 42 Ca 0.08 -0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1rq8 n ASN 42 Cb 0.36 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1rq8 n ASN 42 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1rq8 n ARG 43 N -2.91 3.47 0.16 3.52 3.00 -1.19 -5.09 116.66 117.62 1rq8 n ARG 43 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 1rq8 n ARG 43 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.18 1rq8 n ARG 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1rq8 n GLU 44 N 0.00 0.00 -4.08 -0.14 0.28 -1.26 -4.98 120.64 110.46 1rq8 n GLU 44 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 1rq8 n GLU 44 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 1rq8 n GLU 44 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1rq8 s LEU 45 N -6.91 3.34 -0.11 -1.84 2.96 -1.26 -3.11 118.68 111.75 1rq8 s LEU 45 Ca 0.00 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1rq8 s LEU 45 Cb 0.00 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1rq8 s LEU 45 CO 0.00 0.08 -0.09 0.27 -1.32 0.00 0.00 176.35 175.29 1rq8 s ILE 46 N 0.90 1.08 0.02 6.68 -5.25 -1.11 -4.99 121.20 118.54 1rq8 s ILE 46 Ca 0.01 -0.35 -0.20 0.00 -0.99 0.00 0.00 60.65 59.13 1rq8 s ILE 46 Cb -0.14 -1.07 -0.06 0.00 2.95 0.00 0.00 42.46 44.14 1rq8 s ILE 46 CO 0.02 0.37 0.58 -0.54 -1.79 0.00 0.00 174.94 173.58 1rq8 s LYS 47 N 1.49 4.27 -0.09 0.37 1.02 -1.25 -3.03 119.74 122.52 1rq8 s LYS 47 Ca 0.01 0.72 0.03 0.00 0.02 0.00 0.00 55.97 56.75 1rq8 s LYS 47 Cb -0.13 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1rq8 s LYS 47 CO -0.06 0.46 -0.18 0.08 -0.92 0.00 0.00 175.35 174.74 1rq8 s VAL 48 N -0.51 1.58 -0.56 3.17 1.01 0.14 0.27 120.40 125.50 1rq8 s VAL 48 Ca 0.30 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 1rq8 s VAL 48 Cb -0.18 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1rq8 s VAL 48 CO 0.17 0.45 0.85 -2.28 0.00 0.00 0.00 175.10 174.30 1rq8 s HIS 49 N 0.59 2.85 0.14 5.22 2.46 -1.12 0.59 115.29 126.02 1rq8 s HIS 49 Ca -0.15 -0.28 -0.28 0.00 0.47 0.00 0.00 55.06 54.83 1rq8 s HIS 49 Cb -0.17 -3.97 -0.07 0.00 -0.13 0.00 0.00 32.58 28.25 1rq8 s HIS 49 CO 0.05 -1.32 0.88 0.08 -2.47 0.00 0.00 174.74 171.96 1rq8 s VAL 50 N 3.58 4.42 -0.37 0.89 1.01 -0.95 -1.74 120.40 127.25 1rq8 s VAL 50 Ca 0.24 1.91 0.05 0.00 0.00 0.00 0.00 61.98 64.18 1rq8 s VAL 50 Cb -0.15 -4.25 0.44 0.00 0.00 0.00 0.00 36.38 32.42 1rq8 s VAL 50 CO 0.15 0.41 1.46 0.18 0.00 0.00 0.00 175.10 177.30 1rq8 n LEU 51 N 2.25 4.81 0.00 3.92 7.99 -1.03 -4.29 117.00 130.64 1rq8 n LEU 51 Ca -0.01 -2.51 0.11 0.00 -0.01 0.00 0.00 56.01 53.59 1rq8 n LEU 51 Cb 0.49 -0.68 0.55 0.00 -0.11 0.00 0.00 43.42 43.67 1rq8 n LEU 51 CO 0.49 0.71 0.85 1.67 -1.51 0.00 0.00 177.39 179.60 1rq8 n GLN 52 N -0.20 0.29 0.00 3.23 -0.06 -1.26 -4.16 117.38 115.23 1rq8 n GLN 52 Ca 0.30 0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 1rq8 n GLN 52 Cb 1.09 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.77 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 -1.30 0.00 -4.75 1.69 2.85 -1.26 -4.84 115.26 107.65 1rq8 n ASN 53 Ca 0.10 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.17 1rq8 n ASN 53 Cb 0.18 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.21 1rq8 n ASN 53 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1rq8 n ASN 54 N 1.04 3.27 0.14 1.20 4.13 -1.26 -4.93 115.26 118.84 1rq8 n ASN 54 Ca 0.00 1.14 -0.09 0.00 1.68 0.00 0.00 54.58 57.32 1rq8 n ASN 54 Cb 0.00 -1.59 -0.05 0.00 -1.54 0.00 0.00 39.78 36.61 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 2.39 -0.40 -0.01 3.10 -1.00 -2.00 -2.42 116.94 116.60 1rq8 h PHE 55 Ca -0.50 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.27 1rq8 h PHE 55 Cb 1.27 0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.96 1rq8 h PHE 55 CO 0.50 -0.15 0.09 -0.44 -1.61 0.00 0.00 178.31 176.70 1rq8 h ASP 56 N -1.06 0.00 0.99 2.17 3.32 -1.99 0.21 116.42 120.06 1rq8 h ASP 56 Ca -0.04 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.80 1rq8 h ASP 56 Cb 0.42 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1rq8 h ASP 56 CO 0.07 0.00 -1.01 0.44 -1.72 0.00 0.00 179.24 177.02 1rq8 h ASP 57 N 0.00 0.00 -0.34 6.45 5.19 -1.92 -3.11 116.42 122.70 1rq8 h ASP 57 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1rq8 h ASP 57 Cb 0.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1rq8 h ASP 57 CO -0.00 1.00 0.11 0.11 -3.12 0.00 0.00 179.24 177.34 1rq8 h LYS 58 N 0.00 0.52 -0.49 3.56 1.57 -0.06 -2.49 116.57 119.19 1rq8 h LYS 58 Ca -0.01 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1rq8 h LYS 58 Cb 1.77 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.97 1rq8 h LYS 58 CO 0.13 0.55 0.28 -0.22 -0.57 0.00 0.00 179.45 179.62 1rq8 h LYS 59 N 0.39 0.54 -0.68 3.15 3.11 -1.57 -1.96 116.57 119.55 1rq8 h LYS 59 Ca 0.11 -0.03 0.11 0.00 -2.81 0.00 0.00 60.65 58.02 1rq8 h LYS 59 Cb 0.25 -0.12 -0.08 0.00 -1.00 0.00 0.00 32.23 31.28 1rq8 h LYS 59 CO -0.00 0.35 0.28 1.49 -2.81 0.00 0.00 179.45 178.76 1rq8 h GLU 60 N 0.55 0.46 -0.40 1.90 4.81 -1.42 -0.99 114.58 119.49 1rq8 h GLU 60 Ca 0.20 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1rq8 h GLU 60 Cb 0.05 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1rq8 h GLU 60 CO -0.11 0.30 0.01 -0.07 -0.73 0.00 0.00 179.01 178.42 1rq8 h LEU 61 N 0.47 -0.14 -2.09 1.64 4.07 -0.92 0.44 115.31 118.79 1rq8 h LEU 61 Ca 0.35 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.48 1rq8 h LEU 61 Cb 0.44 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1rq8 h LEU 61 CO -0.32 -0.03 0.33 0.00 -1.08 0.00 0.00 178.44 177.34 1rq8 h ALA 62 N 1.34 1.96 -0.72 1.53 0.00 -0.92 0.83 119.26 123.29 1rq8 h ALA 62 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1rq8 h ALA 62 Cb 0.27 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1rq8 h ALA 62 CO -0.31 -0.49 0.38 1.49 0.00 0.00 0.00 179.25 180.32 1rq8 h GLU 63 N 0.00 1.01 0.15 0.00 4.22 0.26 1.58 114.58 121.80 1rq8 h GLU 63 Ca 0.14 -0.12 -0.31 0.00 0.08 0.00 0.00 59.36 59.14 1rq8 h GLU 63 Cb 0.81 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1rq8 h GLU 63 CO -0.00 0.76 -1.52 1.15 -2.18 0.00 0.00 179.01 177.22 1rq8 h THR 64 N 0.99 1.18 0.08 0.32 2.02 -0.17 -3.10 112.91 114.24 1rq8 h THR 64 Ca 0.25 -2.78 -0.00 0.00 0.77 0.00 0.00 66.41 64.65 1rq8 h THR 64 Cb 0.06 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1rq8 h THR 64 CO -0.04 0.83 -0.04 -0.07 0.37 0.00 0.00 175.52 176.58 1rq8 h LEU 65 N 0.08 -0.09 -0.46 2.58 3.38 0.74 -1.78 115.31 119.77 1rq8 h LEU 65 Ca -0.25 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.29 1rq8 h LEU 65 Cb 2.04 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.75 1rq8 h LEU 65 CO 0.18 0.55 0.08 0.28 0.09 0.00 0.00 178.44 179.62 1rq8 h SER 66 N -0.82 -0.03 -0.21 -0.43 0.02 0.21 1.05 113.55 113.34 1rq8 h SER 66 Ca -0.01 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1rq8 h SER 66 Cb 0.60 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1rq8 h SER 66 CO 0.02 0.02 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.26 1rq8 h GLU 67 N 0.21 0.62 -0.00 3.45 4.39 -1.62 -2.61 114.58 119.00 1rq8 h GLU 67 Ca 0.23 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1rq8 h GLU 67 Cb 0.30 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1rq8 h GLU 67 CO -0.31 0.73 -0.34 0.00 -1.16 0.00 0.00 179.01 177.93 1rq8 n ALA 68 N -2.48 3.18 1.19 3.43 0.00 -0.57 -3.67 120.51 121.58 1rq8 n ALA 68 Ca 0.01 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.28 1rq8 n ALA 68 Cb 0.35 -1.21 0.25 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.36 0.00 -2.15 0.00 -2.24 0.35 -4.93 114.28 103.95 1rq8 n THR 69 Ca 0.07 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 1rq8 n THR 69 Cb 0.33 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 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 0.57 -1.69 -3.78 -0.78 1.74 -1.13 -4.91 116.66 106.68 1rq8 n ARG 70 Ca 0.15 0.98 -0.20 0.00 -0.77 0.00 0.00 57.85 58.01 1rq8 n ARG 70 Cb 0.48 -5.54 -0.05 0.00 -1.02 0.00 0.00 32.46 26.32 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 -1.72 1.62 -3.89 0.55 7.64 -1.21 -3.63 113.62 112.98 1rq8 n SER 71 Ca -0.21 -2.57 -0.26 0.00 1.01 0.00 0.00 58.87 56.83 1rq8 n SER 71 Cb 0.66 0.62 -0.17 0.00 -1.01 0.00 0.00 64.21 64.31 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 -3.17 1.39 -0.37 1.43 0.41 -0.77 -4.66 118.70 112.96 1rq8 s GLU 72 Ca 0.11 -0.21 -0.27 0.00 -0.41 0.00 0.00 54.97 54.19 1rq8 s GLU 72 Cb 0.01 -1.47 -0.05 0.00 -1.78 0.00 0.00 34.13 30.83 1rq8 s GLU 72 CO 0.08 -0.25 2.25 -1.17 -0.49 0.00 0.00 175.26 175.68 1rq8 s LEU 73 N 1.65 3.42 0.33 1.80 0.20 -1.26 -1.83 118.68 122.99 1rq8 s LEU 73 Ca 0.03 1.39 0.13 0.00 0.69 0.00 0.00 54.13 56.37 1rq8 s LEU 73 Cb -0.13 -3.01 0.55 0.00 -0.43 0.00 0.00 46.19 43.17 1rq8 s LEU 73 CO -0.07 -2.38 1.71 -0.37 -0.29 0.00 0.00 176.35 174.95 1rq8 h VAL 74 N 7.35 1.25 0.00 1.68 -1.51 -1.24 -3.48 116.25 120.30 1rq8 h VAL 74 Ca -0.32 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 1rq8 h VAL 74 Cb 1.24 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 1rq8 h VAL 74 CO 1.07 0.48 0.00 0.00 -1.23 0.00 0.00 177.57 177.89 1rq8 n GLN 75 N -3.81 -2.75 -5.00 5.19 1.13 -0.94 -4.78 117.38 106.42 1rq8 n GLN 75 Ca -0.01 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.77 1rq8 n GLN 75 Cb 0.53 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.72 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 -2.29 1.63 -0.41 5.09 1.01 -1.26 0.28 120.40 124.45 1rq8 s VAL 76 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1rq8 s VAL 76 Cb 0.00 -1.38 0.11 0.00 0.00 0.00 0.00 36.38 35.11 1rq8 s VAL 76 CO 0.00 0.46 0.17 -0.63 0.00 0.00 0.00 175.10 175.10 1rq8 s ILE 77 N -0.24 2.91 -0.02 2.22 -1.09 0.42 -4.86 121.20 120.54 1rq8 s ILE 77 Ca 0.02 -2.32 -0.02 0.00 -2.23 0.00 0.00 60.65 56.10 1rq8 s ILE 77 Cb -0.10 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 1rq8 s ILE 77 CO 0.01 -0.68 0.03 0.61 -1.23 0.00 0.00 174.94 173.68 1rq8 n GLY 78 N 4.28 0.01 3.21 6.18 0.00 -1.26 -0.71 105.19 116.90 1rq8 n GLY 78 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.28 -2.27 -4.35 1.61 7.64 -1.26 -4.96 113.62 111.30 1rq8 n SER 79 Ca -0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1rq8 n SER 79 Cb 0.38 -2.03 -0.12 0.00 -1.01 0.00 0.00 64.21 61.43 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 -0.96 1.31 -0.10 1.43 1.00 0.11 -2.23 119.30 119.86 1rq8 s MET 80 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 55.69 54.38 1rq8 s MET 80 Cb 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 34.83 33.19 1rq8 s MET 80 CO 0.00 0.37 -0.16 0.42 0.00 0.00 0.00 175.02 175.64 1rq8 s ILE 81 N -1.37 2.78 -0.38 2.53 1.01 0.20 0.16 121.20 126.12 1rq8 s ILE 81 Ca 0.13 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 1rq8 s ILE 81 Cb -0.09 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1rq8 s ILE 81 CO 0.06 0.55 0.25 -0.69 0.00 0.00 0.00 174.94 175.11 1rq8 s VAL 82 N 0.10 5.00 0.06 2.92 1.01 0.78 -0.68 120.40 129.59 1rq8 s VAL 82 Ca -0.07 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1rq8 s VAL 82 Cb -0.15 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1rq8 s VAL 82 CO 0.05 -0.23 -0.19 -0.63 0.00 0.00 0.00 175.10 174.10 1rq8 s ILE 83 N 1.64 1.57 -0.28 2.22 1.01 -1.17 -0.68 121.20 125.52 1rq8 s ILE 83 Ca 0.04 -1.25 -0.02 0.00 0.00 0.00 0.00 60.65 59.42 1rq8 s ILE 83 Cb -0.19 -1.39 0.04 0.00 0.01 0.00 0.00 42.46 40.93 1rq8 s ILE 83 CO 0.09 0.10 -0.02 -0.47 0.00 0.00 0.00 174.94 174.64 1rq8 s TYR 84 N -0.90 3.17 0.29 3.97 5.04 -0.76 -2.73 117.35 125.42 1rq8 s TYR 84 Ca 0.06 -1.63 -0.28 0.00 -2.44 0.00 0.00 57.07 52.77 1rq8 s TYR 84 Cb -0.09 -2.11 -0.09 0.00 0.35 0.00 0.00 41.96 40.02 1rq8 s TYR 84 CO 0.02 -0.75 1.02 -0.98 -1.34 0.00 0.00 175.55 173.53 1rq8 s ARG 85 N 1.31 4.64 0.94 4.97 3.03 -1.18 -1.84 118.95 130.81 1rq8 s ARG 85 Ca -0.02 1.61 -0.24 0.00 2.03 0.00 0.00 55.73 59.11 1rq8 s ARG 85 Cb -0.18 -3.08 -0.17 0.00 -1.03 0.00 0.00 34.95 30.48 1rq8 s ARG 85 CO -0.02 0.27 -1.36 -0.85 -1.13 0.00 0.00 175.30 172.21 1rq8 n GLU 86 N 1.03 -0.01 -3.94 3.89 0.28 -1.24 -4.94 120.64 115.71 1rq8 n GLU 86 Ca -0.00 -0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.66 1rq8 n GLU 86 Cb 0.47 -1.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.28 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 -1.01 6.23 0.00 -1.84 0.01 -1.26 -4.95 113.70 110.88 1rq8 s SER 87 Ca 0.31 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1rq8 s SER 87 Cb 0.09 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1rq8 s SER 87 CO 0.57 0.27 0.00 1.17 0.41 0.00 0.00 173.24 175.66 1rq8 n LYS 88 N 1.00 0.00 -3.86 12.44 0.00 -1.26 -5.04 118.16 121.44 1rq8 n LYS 88 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.84 1rq8 n LYS 88 Cb 0.53 -0.06 -0.12 0.00 0.00 0.00 0.00 35.03 35.38 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 -1.88 3.71 -0.77 1.64 2.12 -1.26 -4.99 118.70 117.27 1rq8 s GLU 89 Ca 0.00 -0.46 -0.18 0.00 0.36 0.00 0.00 54.97 54.70 1rq8 s GLU 89 Cb 0.00 -3.27 -0.19 0.00 0.26 0.00 0.00 34.13 30.94 1rq8 s GLU 89 CO 0.00 -0.07 2.02 -1.71 -0.54 0.00 0.00 175.26 174.96 1rq8 n ASN 90 N 4.56 0.24 -4.96 -1.70 5.15 -1.26 -4.88 115.26 112.41 1rq8 n ASN 90 Ca -0.16 -1.53 -0.23 0.00 -0.60 0.00 0.00 54.58 52.06 1rq8 n ASN 90 Cb 0.52 -1.23 -0.02 0.00 -0.53 0.00 0.00 39.78 38.51 1rq8 n ASN 90 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1rq8 s LYS 91 N 7.68 3.44 -0.82 1.20 1.02 -1.26 -4.95 119.74 126.05 1rq8 s LYS 91 Ca 0.82 -0.71 -0.26 0.00 0.02 0.00 0.00 55.97 55.84 1rq8 s LYS 91 Cb -0.25 -2.91 -0.21 0.00 -0.52 0.00 0.00 37.83 33.94 1rq8 s LYS 91 CO 0.21 0.46 1.91 -1.91 -0.92 0.00 0.00 175.35 175.10 1rq8 n GLU 92 N -1.15 0.77 -3.78 1.68 4.07 -1.26 -4.83 120.64 116.14 1rq8 n GLU 92 Ca -0.08 -1.80 -0.37 0.00 -0.06 0.00 0.00 57.16 54.85 1rq8 n GLU 92 Cb 0.56 -3.38 -0.13 0.00 -0.06 0.00 0.00 31.44 28.44 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 11.02 3.81 0.15 6.31 -1.09 -1.26 -5.09 121.20 135.05 1rq8 s ILE 93 Ca 0.71 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 58.38 1rq8 s ILE 93 Cb 0.04 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1rq8 s ILE 93 CO 0.20 0.04 0.02 -0.70 -1.23 0.00 0.00 174.94 173.27 1rq8 s GLU 94 N 1.46 2.53 0.00 2.79 2.56 -1.26 -5.02 118.70 121.76 1rq8 s GLU 94 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 54.97 53.99 1rq8 s GLU 94 Cb -0.18 -2.46 0.00 0.00 2.00 0.00 0.00 34.13 33.50 1rq8 s GLU 94 CO 0.02 0.48 0.00 1.28 -0.56 0.00 0.00 175.26 176.48 1rq8 n LEU 95 N 0.03 0.00 0.00 2.70 4.32 -1.26 -4.49 117.00 118.30 1rq8 n LEU 95 Ca -0.10 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.04 1rq8 n LEU 95 Cb 0.54 0.36 0.88 0.00 -1.62 0.00 0.00 43.42 43.58 1rq8 n LEU 95 CO 0.40 -0.49 1.05 -0.81 -1.22 0.00 0.00 177.39 176.31