#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uu9 s ILE 3 N 0.00 -0.74 0.63 0.52 1.01 -1.26 -5.12 121.20 116.23 2uu9 s ILE 3 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 2uu9 s ILE 3 Cb 0.00 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 2uu9 s ILE 3 CO 0.00 -0.05 1.03 0.42 0.00 0.00 0.00 174.94 176.34 2uu9 s THR 4 N 2.67 4.57 0.23 2.92 -4.23 -1.26 -4.81 115.64 115.72 2uu9 s THR 4 Ca 0.12 0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 61.40 2uu9 s THR 4 Cb -0.15 -3.77 0.23 0.00 1.34 0.00 0.00 72.50 70.16 2uu9 s THR 4 CO -0.17 -1.06 1.65 0.11 -0.54 0.00 0.00 174.62 174.61 2uu9 h LYS 5 N -0.31 0.12 -0.07 3.99 6.56 -2.02 0.90 116.57 125.74 2uu9 h LYS 5 Ca -0.44 -0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.18 2uu9 h LYS 5 Cb 1.19 -0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.77 2uu9 h LYS 5 CO 0.61 0.08 -0.40 1.05 -2.06 0.00 0.00 179.45 178.74 2uu9 h GLU 6 N 0.13 -0.49 0.43 3.15 9.09 -1.98 1.42 114.58 126.33 2uu9 h GLU 6 Ca 0.37 0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.80 2uu9 h GLU 6 Cb 0.62 0.11 -0.03 0.00 -1.65 0.00 0.00 28.75 27.80 2uu9 h GLU 6 CO -0.58 -0.33 -0.48 0.93 0.05 0.00 0.00 179.01 178.60 2uu9 h GLU 7 N -0.51 -0.90 -0.60 1.06 5.08 -1.59 0.33 114.58 117.46 2uu9 h GLU 7 Ca 0.07 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2uu9 h GLU 7 Cb 0.62 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.97 2uu9 h GLU 7 CO -0.35 -0.60 -0.47 -0.22 -1.00 0.00 0.00 179.01 176.37 2uu9 h LYS 8 N -0.93 -0.22 -0.72 2.33 1.63 -0.38 -0.99 116.57 117.29 2uu9 h LYS 8 Ca -0.05 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.84 2uu9 h LYS 8 Cb 0.83 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.45 2uu9 h LYS 8 CO -0.10 -0.15 0.39 1.96 -3.45 0.00 0.00 179.45 178.10 2uu9 h GLN 9 N -0.23 0.67 0.03 1.90 1.08 0.25 -2.18 115.11 116.63 2uu9 h GLN 9 Ca 0.16 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2uu9 h GLN 9 Cb 0.56 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2uu9 h GLN 9 CO -0.70 0.44 -0.10 -0.22 -0.95 0.00 0.00 178.83 177.30 2uu9 h LYS 10 N 0.69 -0.15 -1.01 1.46 3.11 0.10 -1.15 116.57 119.63 2uu9 h LYS 10 Ca 0.33 0.01 0.26 0.00 -2.81 0.00 0.00 60.65 58.44 2uu9 h LYS 10 Cb 0.27 0.03 -0.13 0.00 -1.00 0.00 0.00 32.23 31.41 2uu9 h LYS 10 CO -0.22 -0.10 0.60 -0.24 -2.81 0.00 0.00 179.45 176.68 2uu9 h VAL 11 N -0.15 0.51 0.59 2.00 3.04 -1.41 0.20 116.25 121.02 2uu9 h VAL 11 Ca -0.00 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 2uu9 h VAL 11 Cb 0.15 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.33 2uu9 h VAL 11 CO -0.05 0.10 -0.46 0.40 -1.01 0.00 0.00 177.57 176.55 2uu9 h ILE 12 N 0.54 0.08 0.35 3.17 2.04 -0.89 -1.87 117.51 120.94 2uu9 h ILE 12 Ca 0.66 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.51 2uu9 h ILE 12 Cb 1.30 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2uu9 h ILE 12 CO -0.48 0.00 -0.46 1.56 0.00 0.00 0.00 178.15 178.76 2uu9 h GLN 13 N -1.03 -0.83 0.00 2.37 4.20 0.14 0.29 115.11 120.26 2uu9 h GLN 13 Ca -0.07 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2uu9 h GLN 13 Cb 0.86 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2uu9 h GLN 13 CO 0.01 -0.55 0.53 1.49 -0.67 0.00 0.00 178.83 179.63 2uu9 h GLU 14 N -0.86 0.00 0.00 1.46 4.57 -0.61 -1.97 114.58 117.18 2uu9 h GLU 14 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2uu9 h GLU 14 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2uu9 h GLU 14 CO -0.13 0.00 -0.47 1.19 -1.18 0.00 0.00 179.01 178.42 2uu9 n PHE 15 N -2.11 0.00 -1.66 0.92 3.01 -0.32 -5.05 117.46 112.26 2uu9 n PHE 15 Ca -0.01 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.01 2uu9 n PHE 15 Cb 0.54 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.99 2uu9 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uu9 n ALA 16 N -1.11 0.82 0.41 4.37 0.00 0.88 -4.46 120.51 121.42 2uu9 n ALA 16 Ca 0.00 0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.94 2uu9 n ALA 16 Cb 0.00 -2.22 0.42 0.00 0.00 0.00 0.00 19.45 17.65 2uu9 n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2uu9 n ARG 17 N 1.54 0.12 -3.64 0.00 5.12 -1.26 -4.81 116.66 113.72 2uu9 n ARG 17 Ca 0.10 0.37 -0.03 0.00 -1.93 0.00 0.00 57.85 56.37 2uu9 n ARG 17 Cb 0.32 -1.74 -0.01 0.00 -1.16 0.00 0.00 32.46 29.87 2uu9 n ARG 17 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2uu9 s PHE 18 N -3.21 -0.13 0.15 -1.55 -0.12 -1.26 -5.07 117.98 106.79 2uu9 s PHE 18 Ca 0.05 -0.03 -0.32 0.00 -0.05 0.00 0.00 56.93 56.57 2uu9 s PHE 18 Cb 0.09 0.57 -0.12 0.00 -0.63 0.00 0.00 43.02 42.93 2uu9 s PHE 18 CO 0.33 -0.47 1.73 -0.35 -0.05 0.00 0.00 175.22 176.42 2uu9 n PRO 19 N -0.38 2.56 0.00 1.99 -0.04 -1.26 -1.46 135.00 136.41 2uu9 n PRO 19 Ca -0.06 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2uu9 n PRO 19 Cb 0.61 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 2uu9 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2uu9 n GLY 20 N 3.93 1.67 3.59 0.55 0.00 -1.26 -5.01 105.19 108.66 2uu9 n GLY 20 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2uu9 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uu9 s ASP 21 N -1.97 5.55 -0.10 1.61 3.68 -0.54 -4.78 116.67 120.13 2uu9 s ASP 21 Ca 0.00 1.20 0.08 0.00 2.13 0.00 0.00 52.55 55.96 2uu9 s ASP 21 Cb 0.00 -2.52 -0.12 0.00 -1.45 0.00 0.00 42.92 38.83 2uu9 s ASP 21 CO 0.00 -2.00 0.02 0.35 0.13 0.00 0.00 175.17 173.67 2uu9 n THR 22 N 7.50 0.68 -1.53 1.71 -2.24 -1.26 -4.46 114.28 114.69 2uu9 n THR 22 Ca 0.25 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.58 2uu9 n THR 22 Cb 0.48 -0.76 0.18 0.00 -2.10 0.00 0.00 70.33 68.13 2uu9 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uu9 n GLY 23 N 2.45 5.09 3.81 3.38 0.00 -1.26 -4.62 105.19 114.04 2uu9 n GLY 23 Ca -0.17 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 2uu9 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uu9 s SER 24 N -2.72 4.87 0.26 1.61 1.04 -1.26 -4.81 113.70 112.69 2uu9 s SER 24 Ca 0.45 1.50 -0.02 0.00 0.48 0.00 0.00 55.95 58.35 2uu9 s SER 24 Cb 0.41 -2.29 0.45 0.00 0.10 0.00 0.00 66.02 64.69 2uu9 s SER 24 CO -0.01 -1.75 1.83 0.74 0.98 0.00 0.00 173.24 175.03 2uu9 h THR 25 N -0.94 0.95 0.81 2.02 2.02 -1.99 -1.42 112.91 114.36 2uu9 h THR 25 Ca -0.45 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 2uu9 h THR 25 Cb 1.24 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2uu9 h THR 25 CO 0.57 0.17 -0.39 -0.33 0.37 0.00 0.00 175.52 175.92 2uu9 h GLU 26 N 0.95 -1.04 -0.66 6.66 3.07 -1.91 -1.55 114.58 120.09 2uu9 h GLU 26 Ca 0.44 0.07 0.12 0.00 -0.50 0.00 0.00 59.36 59.49 2uu9 h GLU 26 Cb 0.37 0.24 -0.13 0.00 -0.84 0.00 0.00 28.75 28.39 2uu9 h GLU 26 CO -0.24 -0.68 -0.28 0.28 -1.40 0.00 0.00 179.01 176.69 2uu9 h VAL 27 N -1.18 0.20 0.58 3.13 2.07 -1.67 0.32 116.25 119.70 2uu9 h VAL 27 Ca -0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2uu9 h VAL 27 Cb 0.84 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2uu9 h VAL 27 CO 0.18 0.00 -0.41 1.56 0.02 0.00 0.00 177.57 178.92 2uu9 h GLN 28 N -0.09 -0.91 -0.88 1.57 4.20 -1.25 0.26 115.11 118.00 2uu9 h GLN 28 Ca 0.28 0.06 0.24 0.00 0.06 0.00 0.00 58.65 59.29 2uu9 h GLN 28 Cb 0.55 0.21 -0.14 0.00 0.30 0.00 0.00 27.48 28.39 2uu9 h GLN 28 CO -0.72 -0.61 0.28 0.28 -0.67 0.00 0.00 178.83 177.39 2uu9 h VAL 29 N -0.94 0.34 0.36 -0.54 2.07 -0.46 0.59 116.25 117.67 2uu9 h VAL 29 Ca -0.08 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2uu9 h VAL 29 Cb 0.77 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2uu9 h VAL 29 CO 0.04 0.04 -0.18 0.00 0.02 0.00 0.00 177.57 177.50 2uu9 h ALA 30 N 1.77 -1.12 -0.80 1.67 0.00 0.14 -0.84 119.26 120.08 2uu9 h ALA 30 Ca 0.56 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.53 2uu9 h ALA 30 Cb 1.13 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 2uu9 h ALA 30 CO -0.63 -1.09 -0.16 -0.07 0.00 0.00 0.00 179.25 177.30 2uu9 h LEU 31 N -0.49 -0.68 -0.51 0.00 4.07 0.92 0.15 115.31 118.78 2uu9 h LEU 31 Ca -0.05 0.23 0.07 0.00 0.08 0.00 0.00 57.88 58.22 2uu9 h LEU 31 Cb 0.38 0.47 -0.06 0.00 1.08 0.00 0.00 40.66 42.53 2uu9 h LEU 31 CO 0.08 -0.26 0.18 -0.07 -1.08 0.00 0.00 178.44 177.29 2uu9 h LEU 32 N 0.01 0.17 -1.22 1.67 3.38 0.23 -1.41 115.31 118.14 2uu9 h LEU 32 Ca 0.40 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.54 2uu9 h LEU 32 Cb 0.63 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2uu9 h LEU 32 CO -0.80 0.12 0.57 0.74 0.09 0.00 0.00 178.44 179.16 2uu9 h THR 33 N 0.35 0.94 0.37 0.22 2.02 0.78 -0.38 112.91 117.20 2uu9 h THR 33 Ca 0.25 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2uu9 h THR 33 Cb 0.28 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2uu9 h THR 33 CO -0.26 0.15 -0.19 0.25 0.37 0.00 0.00 175.52 175.85 2uu9 h LEU 34 N 0.84 -0.45 0.52 2.58 6.46 -0.64 -0.76 115.31 123.86 2uu9 h LEU 34 Ca 0.42 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.18 2uu9 h LEU 34 Cb 0.47 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 2uu9 h LEU 34 CO -0.18 -0.31 -0.42 0.03 -0.62 0.00 0.00 178.44 176.94 2uu9 h ARG 35 N -0.51 -0.87 -0.94 1.25 3.08 -1.11 0.13 114.38 115.40 2uu9 h ARG 35 Ca -0.05 0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.26 2uu9 h ARG 35 Cb 0.40 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.47 2uu9 h ARG 35 CO 0.08 -0.58 -0.20 0.82 -1.07 0.00 0.00 179.97 179.02 2uu9 h ILE 36 N -0.91 0.06 -0.55 2.04 2.04 -1.07 0.55 117.51 119.69 2uu9 h ILE 36 Ca -0.07 -0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.68 2uu9 h ILE 36 Cb 0.76 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2uu9 h ILE 36 CO 0.00 0.00 -0.11 0.78 0.00 0.00 0.00 178.15 178.83 2uu9 h ASN 37 N 0.00 1.04 -0.55 1.72 -0.26 -0.74 0.69 115.58 117.48 2uu9 h ASN 37 Ca 0.47 -0.35 -0.06 0.00 -0.56 0.00 0.00 56.30 55.80 2uu9 h ASN 37 Cb 0.76 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 2uu9 h ASN 37 CO -0.95 1.15 0.11 -0.09 -1.06 0.00 0.00 177.43 176.58 2uu9 h ARG 38 N 0.92 0.90 -0.13 0.81 2.43 0.22 -2.06 114.38 117.48 2uu9 h ARG 38 Ca 0.14 -0.23 -0.18 0.00 -0.81 0.00 0.00 59.98 58.90 2uu9 h ARG 38 Cb 0.68 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2uu9 h ARG 38 CO 0.05 0.86 -0.67 1.25 -1.51 0.00 0.00 179.97 179.95 2uu9 h LEU 39 N 0.80 0.60 -0.55 3.80 7.12 0.09 -2.66 115.31 124.51 2uu9 h LEU 39 Ca 0.17 -0.37 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 2uu9 h LEU 39 Cb 0.38 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.31 2uu9 h LEU 39 CO 0.01 1.10 0.29 0.28 -0.13 0.00 0.00 178.44 179.99 2uu9 h SER 40 N 0.37 0.69 -0.82 1.25 0.02 0.59 -1.32 113.55 114.33 2uu9 h SER 40 Ca -0.02 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2uu9 h SER 40 Cb 1.24 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2uu9 h SER 40 CO 0.12 0.60 0.36 -0.08 -1.14 0.00 0.00 176.83 176.69 2uu9 h GLU 41 N 0.73 1.21 -0.71 3.45 4.57 -1.34 -2.63 114.58 119.87 2uu9 h GLU 41 Ca 0.19 -0.20 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2uu9 h GLU 41 Cb 0.07 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 2uu9 h GLU 41 CO -0.03 0.96 0.46 1.25 -1.18 0.00 0.00 179.01 180.47 2uu9 h HIS 42 N 1.19 0.87 -0.01 0.92 2.76 -1.05 -2.66 115.15 117.17 2uu9 h HIS 42 Ca 0.28 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.37 2uu9 h HIS 42 Cb 0.18 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 2uu9 h HIS 42 CO 0.02 0.54 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.65 2uu9 h LEU 43 N 0.94 0.03 -1.66 0.26 3.38 -0.97 -0.19 115.31 117.10 2uu9 h LEU 43 Ca 0.27 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2uu9 h LEU 43 Cb -0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2uu9 h LEU 43 CO -0.07 0.50 0.23 0.11 0.09 0.00 0.00 178.44 179.30 2uu9 h LYS 44 N 0.02 0.45 0.00 1.13 1.57 -1.12 -2.61 116.57 116.02 2uu9 h LYS 44 Ca -0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2uu9 h LYS 44 Cb 0.85 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2uu9 h LYS 44 CO 0.06 0.30 -0.36 0.28 -0.57 0.00 0.00 179.45 179.17 2uu9 h VAL 45 N 0.47 0.47 -3.50 0.50 2.07 -1.45 -3.40 116.25 111.41 2uu9 h VAL 45 Ca 0.13 -1.44 -0.79 0.00 0.82 0.00 0.00 66.70 65.43 2uu9 h VAL 45 Cb -0.04 0.98 -0.26 0.00 -1.52 0.00 0.00 31.29 30.44 2uu9 h VAL 45 CO -0.03 0.16 0.42 -1.00 0.02 0.00 0.00 177.57 177.14 2uu9 s HIS 46 N -2.01 4.01 0.05 1.57 3.76 -0.12 -4.85 115.29 117.70 2uu9 s HIS 46 Ca -0.13 -2.37 0.33 0.00 -0.15 0.00 0.00 55.06 52.74 2uu9 s HIS 46 Cb 0.01 -3.89 1.33 0.00 1.11 0.00 0.00 32.58 31.14 2uu9 s HIS 46 CO 0.29 -1.02 1.96 0.87 -0.85 0.00 0.00 174.74 175.99 2uu9 h LYS 47 N 7.15 0.00 -0.01 1.40 1.57 -1.70 -2.99 116.57 121.99 2uu9 h LYS 47 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2uu9 h LYS 47 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2uu9 h LYS 47 CO 0.95 0.00 -0.13 1.63 -0.57 0.00 0.00 179.45 181.32 2uu9 n LYS 48 N -3.02 1.12 -1.58 3.15 4.76 -1.26 -4.48 118.16 116.86 2uu9 n LYS 48 Ca 0.01 -0.61 -0.40 0.00 -2.87 0.00 0.00 58.31 54.43 2uu9 n LYS 48 Cb 0.30 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 2uu9 n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2uu9 n ASP 49 N -0.40 6.95 -0.20 4.39 2.03 -1.13 -4.70 116.55 123.48 2uu9 n ASP 49 Ca 0.15 -2.75 -0.03 0.00 0.52 0.00 0.00 54.79 52.68 2uu9 n ASP 49 Cb 0.33 -1.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.24 2uu9 n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2uu9 h HIS 50 N 5.32 0.58 -0.70 -0.67 3.86 -1.88 -2.84 115.15 118.83 2uu9 h HIS 50 Ca 0.73 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 60.08 2uu9 h HIS 50 Cb 0.42 -0.18 -0.13 0.00 1.06 0.00 0.00 27.41 28.58 2uu9 h HIS 50 CO 1.69 0.29 -0.34 0.45 0.86 0.00 0.00 177.93 180.87 2uu9 h HIS 51 N 0.60 -0.95 -0.74 2.45 3.86 -1.99 0.45 115.15 118.85 2uu9 h HIS 51 Ca 0.26 0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.62 2uu9 h HIS 51 Cb 0.14 0.52 -0.06 0.00 1.06 0.00 0.00 27.41 29.07 2uu9 h HIS 51 CO -0.09 -0.39 0.41 0.77 0.86 0.00 0.00 177.93 179.50 2uu9 h SER 52 N -0.12 0.60 -1.06 2.45 0.02 -1.91 -1.00 113.55 112.53 2uu9 h SER 52 Ca 0.27 0.04 0.28 0.00 -0.84 0.00 0.00 61.79 61.54 2uu9 h SER 52 Cb 0.56 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.95 2uu9 h SER 52 CO -0.76 0.37 0.71 -0.74 -1.14 0.00 0.00 176.83 175.27 2uu9 h HIS 53 N 0.73 0.43 -0.51 3.45 6.17 0.02 0.35 115.15 125.79 2uu9 h HIS 53 Ca 0.34 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.46 2uu9 h HIS 53 Cb 0.25 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.02 2uu9 h HIS 53 CO -0.07 0.04 0.30 -0.09 0.71 0.00 0.00 177.93 178.82 2uu9 h ARG 54 N 0.26 0.59 -0.16 5.26 2.43 -0.67 -1.36 114.38 120.72 2uu9 h ARG 54 Ca 0.57 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.75 2uu9 h ARG 54 Cb 1.71 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 31.07 2uu9 h ARG 54 CO -0.20 0.39 -0.20 0.78 -1.51 0.00 0.00 179.97 179.24 2uu9 h GLY 55 N 0.60 -0.14 -0.73 2.80 0.00 -0.36 -2.20 103.07 103.04 2uu9 h GLY 55 Ca 0.20 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.85 2uu9 h GLY 55 CO -0.09 -0.18 -0.54 -2.00 0.00 0.00 0.00 176.54 173.72 2uu9 h LEU 56 N -0.23 -1.93 -1.57 3.11 5.85 -0.98 0.53 115.31 120.09 2uu9 h LEU 56 Ca 0.11 0.29 0.16 0.00 0.84 0.00 0.00 57.88 59.28 2uu9 h LEU 56 Cb 0.39 0.84 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2uu9 h LEU 56 CO -0.29 -0.31 0.53 -0.07 -0.34 0.00 0.00 178.44 177.95 2uu9 h LEU 57 N -0.16 0.39 -0.71 2.25 4.07 -1.06 0.14 115.31 120.23 2uu9 h LEU 57 Ca 0.15 0.03 -0.12 0.00 0.08 0.00 0.00 57.88 58.01 2uu9 h LEU 57 Cb 0.51 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 2uu9 h LEU 57 CO -0.80 0.19 -0.59 0.24 -1.08 0.00 0.00 178.44 176.41 2uu9 h MET 58 N 0.41 0.00 0.00 1.13 2.86 0.57 -1.65 114.93 118.25 2uu9 h MET 58 Ca 0.39 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2uu9 h MET 58 Cb 0.92 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 2uu9 h MET 58 CO -0.13 0.59 -0.02 0.52 1.06 0.00 0.00 176.91 178.92 2uu9 h MET 59 N 0.00 0.00 -1.16 1.72 2.86 1.00 -2.27 114.93 117.07 2uu9 h MET 59 Ca -0.01 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.98 2uu9 h MET 59 Cb 1.12 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.67 2uu9 h MET 59 CO 0.08 0.41 0.75 0.28 1.06 0.00 0.00 176.91 179.48 2uu9 h VAL 60 N -1.00 0.34 0.03 -2.22 2.07 -0.87 0.97 116.25 115.57 2uu9 h VAL 60 Ca -0.00 -0.08 -0.22 0.00 0.82 0.00 0.00 66.70 67.21 2uu9 h VAL 60 Cb 0.42 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2uu9 h VAL 60 CO -0.00 0.04 -1.04 1.23 0.02 0.00 0.00 177.57 177.82 2uu9 h GLY 61 N 0.25 0.08 1.58 2.17 0.00 -1.36 -2.29 103.07 103.48 2uu9 h GLY 61 Ca 0.69 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.66 2uu9 h GLY 61 CO -0.35 0.16 -0.70 -1.61 0.00 0.00 0.00 176.54 174.04 2uu9 h GLN 62 N 0.02 0.42 -0.13 4.80 5.75 0.12 -2.61 115.11 123.49 2uu9 h GLN 62 Ca -0.04 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.12 2uu9 h GLN 62 Cb 1.79 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 30.40 2uu9 h GLN 62 CO 0.15 0.96 0.04 -0.09 -2.65 0.00 0.00 178.83 177.24 2uu9 h ARG 63 N 0.29 0.20 -0.51 1.69 2.43 0.31 -2.65 114.38 116.15 2uu9 h ARG 63 Ca -0.03 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.20 2uu9 h ARG 63 Cb 1.27 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.69 2uu9 h ARG 63 CO 0.12 0.34 -0.15 0.00 -1.51 0.00 0.00 179.97 178.77 2uu9 h ARG 64 N 0.02 -0.02 -0.68 0.20 3.08 -1.32 -0.93 114.38 114.72 2uu9 h ARG 64 Ca 0.04 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.23 2uu9 h ARG 64 Cb 0.22 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.18 2uu9 h ARG 64 CO -0.00 -0.02 0.17 0.00 -1.07 0.00 0.00 179.97 179.05 2uu9 h ARG 65 N -0.03 0.28 0.37 0.04 3.08 -1.20 0.56 114.38 117.49 2uu9 h ARG 65 Ca 0.24 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 2uu9 h ARG 65 Cb 0.40 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2uu9 h ARG 65 CO -0.54 0.19 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.30 2uu9 h LEU 66 N 0.29 -0.43 -0.91 3.04 3.38 -0.88 -1.95 115.31 117.86 2uu9 h LEU 66 Ca 0.37 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.59 2uu9 h LEU 66 Cb 0.59 0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.32 2uu9 h LEU 66 CO -0.45 -0.17 0.38 -0.07 0.09 0.00 0.00 178.44 178.22 2uu9 h LEU 67 N -0.77 0.29 -1.58 1.67 3.38 -1.08 1.49 115.31 118.71 2uu9 h LEU 67 Ca -0.05 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2uu9 h LEU 67 Cb 0.39 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2uu9 h LEU 67 CO 0.08 -0.05 0.32 -0.09 0.09 0.00 0.00 178.44 178.80 2uu9 h ARG 68 N 0.36 0.54 0.03 1.13 2.43 0.13 0.81 114.38 119.80 2uu9 h ARG 68 Ca 0.58 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.71 2uu9 h ARG 68 Cb 1.14 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2uu9 h ARG 68 CO -0.56 0.36 -0.02 -0.92 -1.51 0.00 0.00 179.97 177.32 2uu9 h TYR 69 N 0.56 -0.04 -0.50 2.20 3.20 0.25 -3.14 116.97 119.50 2uu9 h TYR 69 Ca 0.19 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.16 2uu9 h TYR 69 Cb 0.07 0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.26 2uu9 h TYR 69 CO -0.00 0.63 -0.15 1.25 -1.64 0.00 0.00 178.16 178.25 2uu9 h LEU 70 N -0.92 -0.55 -2.05 2.82 7.12 0.57 -0.22 115.31 122.07 2uu9 h LEU 70 Ca -0.00 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 2uu9 h LEU 70 Cb 0.69 0.34 -0.00 0.00 -0.53 0.00 0.00 40.66 41.16 2uu9 h LEU 70 CO 0.01 -0.19 -0.03 0.06 -0.13 0.00 0.00 178.44 178.15 2uu9 h GLN 71 N -0.03 0.00 0.00 1.25 -0.00 -0.96 -1.25 115.11 114.13 2uu9 h GLN 71 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 2uu9 h GLN 71 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 2uu9 h GLN 71 CO -0.54 0.03 -0.18 -0.09 -0.00 0.00 0.00 178.83 178.06 2uu9 h ARG 72 N 0.00 0.00 0.00 0.06 2.43 -1.00 -3.16 114.38 112.71 2uu9 h ARG 72 Ca -0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 2uu9 h ARG 72 Cb 0.06 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 2uu9 h ARG 72 CO 0.00 0.00 -2.40 0.39 -1.51 0.00 0.00 179.97 176.45 2uu9 n GLU 73 N -2.47 0.67 -2.93 0.20 -0.58 -0.73 -4.84 120.64 109.97 2uu9 n GLU 73 Ca 0.04 0.11 -0.13 0.00 -0.42 0.00 0.00 57.16 56.76 2uu9 n GLU 73 Cb 0.46 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2uu9 n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2uu9 n ASP 74 N -3.10 -2.09 0.00 1.62 -0.08 -0.55 -5.00 116.55 107.34 2uu9 n ASP 74 Ca -0.41 -2.96 0.00 0.00 -1.51 0.00 0.00 54.79 49.91 2uu9 n ASP 74 Cb 1.01 0.99 0.00 0.00 2.34 0.00 0.00 41.12 45.46 2uu9 n ASP 74 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2uu9 n PRO 75 N 2.07 0.00 -0.06 -0.67 -0.04 -1.19 -1.47 135.00 133.64 2uu9 n PRO 75 Ca 0.16 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.64 2uu9 n PRO 75 Cb 0.57 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 2uu9 n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2uu9 n GLU 76 N -0.87 0.36 0.33 0.54 4.07 -1.26 -2.87 120.64 120.93 2uu9 n GLU 76 Ca 0.00 0.36 0.13 0.00 -0.06 0.00 0.00 57.16 57.59 2uu9 n GLU 76 Cb 0.21 -1.37 0.66 0.00 -0.06 0.00 0.00 31.44 30.88 2uu9 n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2uu9 h ARG 77 N -0.75 0.00 0.04 5.31 3.08 -1.63 0.32 114.38 120.75 2uu9 h ARG 77 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uu9 h ARG 77 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2uu9 h ARG 77 CO 0.00 0.00 -0.02 -0.92 -1.07 0.00 0.00 179.97 177.96 2uu9 h TYR 78 N 0.00 -0.05 -0.28 3.04 3.20 -1.62 0.43 116.97 121.69 2uu9 h TYR 78 Ca 0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 2uu9 h TYR 78 Cb 0.93 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2uu9 h TYR 78 CO 0.00 -0.03 0.45 0.00 -1.64 0.00 0.00 178.16 176.93 2uu9 h ARG 79 N -0.11 0.00 0.22 1.82 3.08 -0.92 0.52 114.38 118.99 2uu9 h ARG 79 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2uu9 h ARG 79 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2uu9 h ARG 79 CO 0.01 0.00 -0.11 0.00 -1.07 0.00 0.00 179.97 178.80 2uu9 h ALA 80 N 1.37 -0.35 -1.01 0.04 0.00 -0.41 -2.28 119.26 116.63 2uu9 h ALA 80 Ca 0.13 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.19 2uu9 h ALA 80 Cb 1.02 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 2uu9 h ALA 80 CO -0.00 -0.33 0.61 1.25 0.00 0.00 0.00 179.25 180.78 2uu9 h LEU 81 N -0.88 0.75 0.73 0.00 6.46 0.12 -0.43 115.31 122.05 2uu9 h LEU 81 Ca -0.03 0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2uu9 h LEU 81 Cb 0.23 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2uu9 h LEU 81 CO 0.05 0.21 -0.35 0.40 -0.62 0.00 0.00 178.44 178.13 2uu9 h ILE 82 N 0.70 0.00 -0.79 4.05 2.04 -1.05 -2.14 117.51 120.32 2uu9 h ILE 82 Ca 0.61 -0.16 0.13 0.00 1.00 0.00 0.00 64.86 66.43 2uu9 h ILE 82 Cb 1.02 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.97 2uu9 h ILE 82 CO -0.42 0.00 -0.37 -0.08 0.00 0.00 0.00 178.15 177.28 2uu9 h GLU 83 N -1.14 -0.08 0.15 2.37 4.57 -0.68 2.09 114.58 121.86 2uu9 h GLU 83 Ca -0.10 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2uu9 h GLU 83 Cb 0.75 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 2uu9 h GLU 83 CO 0.16 -0.06 -0.21 -0.22 -1.18 0.00 0.00 179.01 177.51 2uu9 h LYS 84 N -0.09 -0.35 -0.06 1.92 3.64 -1.14 -2.23 116.57 118.25 2uu9 h LYS 84 Ca 0.28 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.70 2uu9 h LYS 84 Cb 0.57 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2uu9 h LYS 84 CO -0.83 -0.24 0.07 -0.07 -2.27 0.00 0.00 179.45 176.11 2uu9 h LEU 85 N -0.37 0.00 -2.73 5.20 3.38 -0.61 -3.47 115.31 116.71 2uu9 h LEU 85 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2uu9 h LEU 85 Cb 0.33 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.10 2uu9 h LEU 85 CO -0.06 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.01 2uu9 n GLY 86 N -1.38 -0.57 0.00 0.83 0.00 0.70 -5.07 105.19 99.71 2uu9 n GLY 86 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2uu9 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2uu9 n ILE 87 N -1.53 0.00 -4.08 -0.61 5.41 -1.12 -5.03 119.36 112.40 2uu9 n ILE 87 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2uu9 n ILE 87 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 2uu9 n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2uu9 n ARG 88 N 0.00 0.00 0.00 0.38 5.12 -1.26 -4.96 116.66 115.94 2uu9 n ARG 88 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 2uu9 n ARG 88 Cb 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.31 2uu9 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11