#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vqe s ILE 3 N 0.00 -0.39 0.62 0.52 1.01 -1.26 -5.12 121.20 116.58 2vqe s ILE 3 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 2vqe s ILE 3 Cb 0.00 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2vqe s ILE 3 CO 0.00 -0.27 1.03 0.42 0.00 0.00 0.00 174.94 176.12 2vqe s THR 4 N 2.37 4.52 0.17 2.92 -4.23 -1.26 -4.89 115.64 115.23 2vqe s THR 4 Ca 0.09 0.89 -0.16 0.00 -1.18 0.00 0.00 61.69 61.32 2vqe s THR 4 Cb -0.15 -3.74 0.09 0.00 1.34 0.00 0.00 72.50 70.03 2vqe s THR 4 CO -0.19 -1.00 1.68 0.11 -0.54 0.00 0.00 174.62 174.68 2vqe h LYS 5 N -0.18 0.04 -0.54 3.99 6.56 -2.01 -1.28 116.57 123.15 2vqe h LYS 5 Ca -0.44 -0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.25 2vqe h LYS 5 Cb 1.19 -0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.74 2vqe h LYS 5 CO 0.61 0.03 -0.19 1.05 -2.06 0.00 0.00 179.45 178.88 2vqe h GLU 6 N 0.04 -0.06 0.03 3.15 9.09 -1.98 1.30 114.58 126.15 2vqe h GLU 6 Ca 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.61 2vqe h GLU 6 Cb 0.29 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 2vqe h GLU 6 CO -0.38 -0.04 -0.01 0.93 0.05 0.00 0.00 179.01 179.56 2vqe h GLU 7 N -0.06 -0.04 -0.30 1.06 5.08 -1.79 0.27 114.58 118.81 2vqe h GLU 7 Ca 0.25 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 2vqe h GLU 7 Cb 0.46 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 2vqe h GLU 7 CO -0.59 -0.00 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.13 2vqe h LYS 8 N -0.06 0.01 0.34 2.33 3.64 0.02 -0.66 116.57 122.19 2vqe h LYS 8 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2vqe h LYS 8 Cb 0.05 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2vqe h LYS 8 CO 0.01 0.00 -0.18 1.96 -2.27 0.00 0.00 179.45 178.97 2vqe h GLN 9 N 0.01 -0.47 -1.01 1.90 1.08 0.20 0.14 115.11 116.96 2vqe h GLN 9 Ca 0.14 0.03 0.23 0.00 -1.45 0.00 0.00 58.65 57.61 2vqe h GLN 9 Cb 0.21 0.11 -0.11 0.00 -0.05 0.00 0.00 27.48 27.64 2vqe h GLN 9 CO -0.30 -0.31 0.62 -0.22 -0.95 0.00 0.00 178.83 177.67 2vqe h LYS 10 N -0.48 0.56 0.04 1.46 1.63 -0.08 0.31 116.57 120.01 2vqe h LYS 10 Ca -0.04 -0.03 -0.23 0.00 -0.85 0.00 0.00 60.65 59.50 2vqe h LYS 10 Cb 0.38 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2vqe h LYS 10 CO 0.06 0.37 -1.02 -0.24 -3.45 0.00 0.00 179.45 175.17 2vqe h VAL 11 N 0.58 1.51 -0.20 2.00 3.04 -0.65 -1.82 116.25 120.70 2vqe h VAL 11 Ca 0.60 -2.85 -0.08 0.00 -1.01 0.00 0.00 66.70 63.36 2vqe h VAL 11 Cb 1.20 2.67 -0.00 0.00 -2.01 0.00 0.00 31.29 33.14 2vqe h VAL 11 CO -0.38 0.83 -0.18 0.40 -1.01 0.00 0.00 177.57 177.23 2vqe h ILE 12 N 0.10 1.32 -0.08 3.17 2.04 0.22 -2.94 117.51 121.34 2vqe h ILE 12 Ca -0.07 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 2vqe h ILE 12 Cb 1.70 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 39.51 2vqe h ILE 12 CO 0.16 0.40 0.01 1.56 0.00 0.00 0.00 178.15 180.28 2vqe h GLN 13 N 0.16 0.13 0.00 2.37 4.20 -0.62 -0.50 115.11 120.85 2vqe h GLN 13 Ca 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2vqe h GLN 13 Cb 0.71 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2vqe h GLN 13 CO 0.05 0.36 0.15 -1.91 -0.67 0.00 0.00 178.83 176.81 2vqe n GLU 14 N -4.87 0.08 0.00 1.46 4.07 -0.69 -2.89 120.64 117.81 2vqe n GLU 14 Ca -0.06 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 2vqe n GLU 14 Cb 0.17 -1.91 0.00 0.00 -0.06 0.00 0.00 31.44 29.64 2vqe n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2vqe n PHE 15 N -1.92 0.00 -1.54 4.31 3.01 -1.01 -5.07 117.46 115.24 2vqe n PHE 15 Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 2vqe n PHE 15 Cb 0.17 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.64 2vqe n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2vqe n ALA 16 N -1.39 -0.71 0.18 4.37 0.00 -0.23 -4.56 120.51 118.18 2vqe n ALA 16 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.75 2vqe n ALA 16 Cb 0.06 -1.93 0.35 0.00 0.00 0.00 0.00 19.45 17.92 2vqe n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vqe h ARG 17 N 1.43 0.00 -2.38 0.00 2.47 -1.91 -3.45 114.38 110.54 2vqe h ARG 17 Ca -0.40 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.36 2vqe h ARG 17 Cb 1.37 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.53 2vqe h ARG 17 CO 0.57 0.39 0.37 -0.59 0.56 0.00 0.00 179.97 181.27 2vqe s PHE 18 N -4.09 -0.45 0.22 3.04 -0.12 -1.26 -5.08 117.98 110.23 2vqe s PHE 18 Ca -0.02 0.43 -0.31 0.00 -0.05 0.00 0.00 56.93 56.98 2vqe s PHE 18 Cb 0.14 0.52 -0.15 0.00 -0.63 0.00 0.00 43.02 42.90 2vqe s PHE 18 CO 0.72 -0.63 1.13 -0.35 -0.05 0.00 0.00 175.22 176.05 2vqe n PRO 19 N -0.00 1.31 -0.10 1.99 -0.04 -1.26 -1.18 135.00 135.71 2vqe n PRO 19 Ca -0.13 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2vqe n PRO 19 Cb 0.62 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 2vqe n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vqe n GLY 20 N 1.76 1.18 3.59 0.55 0.00 -1.26 -5.01 105.19 106.00 2vqe n GLY 20 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2vqe n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vqe s ASP 21 N -2.91 6.21 -0.10 1.61 3.68 -0.32 -4.81 116.67 120.03 2vqe s ASP 21 Ca 0.00 0.66 0.01 0.00 2.13 0.00 0.00 52.55 55.35 2vqe s ASP 21 Cb 0.00 -2.54 -0.07 0.00 -1.45 0.00 0.00 42.92 38.86 2vqe s ASP 21 CO 0.00 -1.57 -0.09 0.35 0.13 0.00 0.00 175.17 173.99 2vqe n THR 22 N 7.04 0.60 -1.60 1.71 -2.24 -1.26 -4.61 114.28 113.92 2vqe n THR 22 Ca 0.16 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 2vqe n THR 22 Cb 0.48 -0.88 0.06 0.00 -2.10 0.00 0.00 70.33 67.89 2vqe n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vqe n GLY 23 N 2.99 6.09 3.92 3.38 0.00 -1.26 -4.59 105.19 115.72 2vqe n GLY 23 Ca -0.19 -2.45 -0.26 0.00 0.00 0.00 0.00 46.02 43.13 2vqe n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vqe s SER 24 N -2.54 6.33 0.52 1.61 1.04 -1.26 -4.88 113.70 114.52 2vqe s SER 24 Ca 0.59 0.63 0.32 0.00 0.48 0.00 0.00 55.95 57.97 2vqe s SER 24 Cb 0.47 -2.11 1.45 0.00 0.10 0.00 0.00 66.02 65.93 2vqe s SER 24 CO 0.01 -0.33 1.85 0.74 0.98 0.00 0.00 173.24 176.49 2vqe h THR 25 N 0.82 0.50 0.17 2.02 2.02 -1.99 0.11 112.91 116.56 2vqe h THR 25 Ca -0.49 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2vqe h THR 25 Cb 1.21 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2vqe h THR 25 CO 0.63 0.01 -0.08 -0.33 0.37 0.00 0.00 175.52 176.12 2vqe h GLU 26 N 0.06 -0.22 -0.82 6.66 3.07 -1.93 -2.44 114.58 118.96 2vqe h GLU 26 Ca 0.49 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.51 2vqe h GLU 26 Cb 1.87 0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 29.74 2vqe h GLU 26 CO -0.04 0.14 0.41 0.28 -1.40 0.00 0.00 179.01 178.39 2vqe h VAL 27 N -0.95 0.74 0.18 3.13 2.07 -1.56 0.20 116.25 120.06 2vqe h VAL 27 Ca -0.02 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2vqe h VAL 27 Cb 0.46 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2vqe h VAL 27 CO 0.04 0.11 -0.09 1.56 0.02 0.00 0.00 177.57 179.21 2vqe h GLN 28 N 0.60 -0.24 0.00 1.57 4.20 -1.10 -1.00 115.11 119.15 2vqe h GLN 28 Ca 0.44 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.16 2vqe h GLN 28 Cb 0.60 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 2vqe h GLN 28 CO -0.35 -0.02 -0.04 0.28 -0.67 0.00 0.00 178.83 178.03 2vqe h VAL 29 N -0.42 0.93 0.30 -0.54 2.07 -0.87 0.04 116.25 117.76 2vqe h VAL 29 Ca -0.03 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2vqe h VAL 29 Cb 0.32 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2vqe h VAL 29 CO 0.04 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.53 2vqe h ALA 30 N 1.96 -0.40 -0.20 1.67 0.00 -0.69 -1.76 119.26 119.85 2vqe h ALA 30 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2vqe h ALA 30 Cb 0.07 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2vqe h ALA 30 CO 0.01 -0.51 -0.34 -0.07 0.00 0.00 0.00 179.25 178.33 2vqe h LEU 31 N -0.83 -1.09 -0.30 0.00 4.07 -0.57 -1.32 115.31 115.27 2vqe h LEU 31 Ca -0.04 0.16 0.07 0.00 0.08 0.00 0.00 57.88 58.15 2vqe h LEU 31 Cb 0.52 0.47 -0.08 0.00 1.08 0.00 0.00 40.66 42.65 2vqe h LEU 31 CO 0.07 -0.36 -0.25 -0.07 -1.08 0.00 0.00 178.44 176.74 2vqe h LEU 32 N -0.38 -0.82 -1.99 1.67 3.38 -1.05 0.13 115.31 116.25 2vqe h LEU 32 Ca 0.11 0.15 0.22 0.00 0.09 0.00 0.00 57.88 58.45 2vqe h LEU 32 Cb 0.56 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2vqe h LEU 32 CO -0.41 -0.28 0.57 0.74 0.09 0.00 0.00 178.44 179.15 2vqe h THR 33 N -0.23 0.56 0.12 0.22 2.02 -0.49 0.79 112.91 115.90 2vqe h THR 33 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 2vqe h THR 33 Cb 0.47 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2vqe h THR 33 CO -0.44 0.00 -0.06 0.25 0.37 0.00 0.00 175.52 175.65 2vqe h LEU 34 N 0.00 -0.14 -0.42 2.58 6.46 0.30 -1.71 115.31 122.38 2vqe h LEU 34 Ca 0.36 -0.42 0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2vqe h LEU 34 Cb 1.51 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.44 2vqe h LEU 34 CO -0.00 0.46 0.25 0.03 -0.62 0.00 0.00 178.44 178.55 2vqe h ARG 35 N -0.85 0.49 -0.57 1.25 3.08 0.08 0.26 114.38 118.11 2vqe h ARG 35 Ca -0.02 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.05 2vqe h ARG 35 Cb 0.55 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2vqe h ARG 35 CO 0.03 0.32 0.31 0.82 -1.07 0.00 0.00 179.97 180.38 2vqe h ILE 36 N 0.50 0.97 -0.28 2.04 2.04 0.44 -0.22 117.51 123.00 2vqe h ILE 36 Ca 0.17 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2vqe h ILE 36 Cb 0.01 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2vqe h ILE 36 CO -0.07 0.11 -0.15 0.78 0.00 0.00 0.00 178.15 178.81 2vqe h ASN 37 N 0.58 0.61 0.55 1.72 -0.26 -0.86 -1.18 115.58 116.75 2vqe h ASN 37 Ca 0.25 -0.42 -0.02 0.00 -0.56 0.00 0.00 56.30 55.56 2vqe h ASN 37 Cb 0.15 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2vqe h ASN 37 CO -0.16 0.89 -0.08 -0.09 -1.06 0.00 0.00 177.43 176.93 2vqe h ARG 38 N 0.33 0.00 0.12 0.81 2.43 -0.68 -2.52 114.38 114.87 2vqe h ARG 38 Ca 0.06 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.96 2vqe h ARG 38 Cb 0.67 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2vqe h ARG 38 CO 0.04 0.08 -1.36 1.25 -1.51 0.00 0.00 179.97 178.48 2vqe h LEU 39 N 0.00 0.39 -2.75 3.80 6.46 -0.86 -3.15 115.31 119.21 2vqe h LEU 39 Ca -0.00 -0.86 -0.00 0.00 -0.12 0.00 0.00 57.88 56.90 2vqe h LEU 39 Cb 0.38 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2vqe h LEU 39 CO 0.01 1.60 -0.00 0.28 -0.62 0.00 0.00 178.44 179.71 2vqe h SER 40 N -0.31 0.00 -0.10 1.25 0.02 -1.05 0.27 113.55 113.63 2vqe h SER 40 Ca -0.29 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.45 2vqe h SER 40 Cb 1.75 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.30 2vqe h SER 40 CO 0.07 0.00 -0.76 -0.08 -1.14 0.00 0.00 176.83 174.92 2vqe h GLU 41 N 0.00 0.68 -0.62 3.45 4.57 -1.51 -2.96 114.58 118.20 2vqe h GLU 41 Ca -0.00 -0.61 -0.01 0.00 -1.18 0.00 0.00 59.36 57.56 2vqe h GLU 41 Cb 0.01 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2vqe h GLU 41 CO 0.00 1.22 0.36 1.25 -1.18 0.00 0.00 179.01 180.65 2vqe h HIS 42 N 0.36 0.84 0.00 0.92 2.76 -0.52 -3.00 115.15 116.51 2vqe h HIS 42 Ca -0.07 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2vqe h HIS 42 Cb 1.41 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2vqe h HIS 42 CO 0.10 0.59 0.00 1.28 -1.30 0.00 0.00 177.93 178.60 2vqe n LEU 43 N -4.58 0.00 -0.03 0.26 4.77 -0.10 -3.00 117.00 114.33 2vqe n LEU 43 Ca 0.04 0.35 -0.15 0.00 -0.03 0.00 0.00 56.01 56.23 2vqe n LEU 43 Cb 0.07 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 2vqe n LEU 43 CO 0.37 -0.04 0.47 0.11 -1.33 0.00 0.00 177.39 176.96 2vqe h LYS 44 N 0.00 0.29 -7.11 3.23 1.57 -1.36 -3.31 116.57 109.88 2vqe h LYS 44 Ca 0.00 -0.22 -0.45 0.00 -1.87 0.00 0.00 60.65 58.11 2vqe h LYS 44 Cb 0.30 0.04 0.08 0.00 0.08 0.00 0.00 32.23 32.73 2vqe h LYS 44 CO 0.00 0.85 0.11 0.08 -0.57 0.00 0.00 179.45 179.92 2vqe s VAL 45 N -3.70 2.33 -1.44 0.50 1.01 -1.16 -4.36 120.40 113.58 2vqe s VAL 45 Ca -0.15 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2vqe s VAL 45 Cb 0.03 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2vqe s VAL 45 CO 0.76 0.00 0.26 1.41 0.00 0.00 0.00 175.10 177.53 2vqe n HIS 46 N -2.75 -1.43 1.79 5.22 8.25 -1.25 -4.79 115.22 120.27 2vqe n HIS 46 Ca 0.11 0.56 0.11 0.00 -0.26 0.00 0.00 57.72 58.24 2vqe n HIS 46 Cb 0.60 -3.11 0.56 0.00 1.12 0.00 0.00 29.99 29.16 2vqe n HIS 46 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2vqe n LYS 47 N -4.58 1.21 0.00 -0.41 2.85 -1.25 -2.96 118.16 113.02 2vqe n LYS 47 Ca -0.28 -0.31 0.11 0.00 -1.05 0.00 0.00 58.31 56.77 2vqe n LYS 47 Cb 0.67 -1.35 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 2vqe n LYS 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2vqe n LYS 48 N -0.50 0.72 -1.05 -1.58 4.76 -1.26 -4.67 118.16 114.57 2vqe n LYS 48 Ca 0.16 -0.58 -0.35 0.00 -2.87 0.00 0.00 58.31 54.67 2vqe n LYS 48 Cb 0.15 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.81 2vqe n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2vqe n ASP 49 N -0.64 3.66 0.19 4.39 -0.08 -1.16 -4.69 116.55 118.23 2vqe n ASP 49 Ca 0.08 -2.56 0.05 0.00 -1.51 0.00 0.00 54.79 50.85 2vqe n ASP 49 Cb 0.41 -1.16 0.52 0.00 2.34 0.00 0.00 41.12 43.22 2vqe n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 2vqe h HIS 50 N 7.09 0.11 -0.43 -0.67 3.86 -1.89 -2.88 115.15 120.35 2vqe h HIS 50 Ca 0.47 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.66 2vqe h HIS 50 Cb 0.47 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 2vqe h HIS 50 CO 1.53 0.17 0.21 0.45 0.86 0.00 0.00 177.93 181.15 2vqe h HIS 51 N 0.11 0.61 -0.34 2.45 3.86 -2.01 -1.96 115.15 117.88 2vqe h HIS 51 Ca 0.03 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2vqe h HIS 51 Cb 0.17 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 2vqe h HIS 51 CO 0.00 0.50 0.01 0.77 0.86 0.00 0.00 177.93 180.07 2vqe h SER 52 N 0.55 0.48 -0.08 2.45 0.02 -1.92 -2.27 113.55 112.78 2vqe h SER 52 Ca 0.15 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2vqe h SER 52 Cb 0.11 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2vqe h SER 52 CO -0.02 0.54 0.05 -0.74 -1.14 0.00 0.00 176.83 175.52 2vqe h HIS 53 N 0.50 0.10 0.00 3.45 6.17 -1.18 0.50 115.15 124.68 2vqe h HIS 53 Ca 0.11 0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.13 2vqe h HIS 53 Cb 0.31 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.19 2vqe h HIS 53 CO 0.01 0.06 -0.31 -0.09 0.71 0.00 0.00 177.93 178.32 2vqe h ARG 54 N 0.11 0.00 -0.11 5.26 2.43 -1.04 -0.74 114.38 120.29 2vqe h ARG 54 Ca 0.03 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 2vqe h ARG 54 Cb -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2vqe h ARG 54 CO -0.01 0.31 -0.61 0.78 -1.51 0.00 0.00 179.97 178.93 2vqe h GLY 55 N 1.27 0.41 0.79 2.80 0.00 -0.05 -2.52 103.07 105.77 2vqe h GLY 55 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2vqe h GLY 55 CO 0.04 0.45 0.01 -2.00 0.00 0.00 0.00 176.54 175.04 2vqe h LEU 56 N 0.28 0.03 -0.78 3.11 5.85 -0.01 -2.47 115.31 121.33 2vqe h LEU 56 Ca -0.01 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.64 2vqe h LEU 56 Cb 1.14 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.07 2vqe h LEU 56 CO 0.10 0.24 0.35 -0.07 -0.34 0.00 0.00 178.44 178.72 2vqe h LEU 57 N -0.18 0.38 -0.31 2.25 4.07 -1.16 -0.20 115.31 120.16 2vqe h LEU 57 Ca 0.01 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 2vqe h LEU 57 Cb 0.22 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 2vqe h LEU 57 CO -0.00 0.16 0.14 0.24 -1.08 0.00 0.00 178.44 177.89 2vqe h MET 58 N 0.51 0.46 -0.42 1.13 2.86 -1.33 -0.48 114.93 117.66 2vqe h MET 58 Ca 0.42 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.98 2vqe h MET 58 Cb 0.61 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2vqe h MET 58 CO -0.38 0.45 0.22 0.52 1.06 0.00 0.00 176.91 178.78 2vqe h MET 59 N 0.36 0.59 0.00 1.72 2.86 -0.84 0.59 114.93 120.21 2vqe h MET 59 Ca 0.11 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2vqe h MET 59 Cb 0.15 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2vqe h MET 59 CO -0.01 0.49 -0.20 0.28 1.06 0.00 0.00 176.91 178.53 2vqe h VAL 60 N 0.54 1.05 0.18 -2.22 2.07 -0.95 -0.83 116.25 116.10 2vqe h VAL 60 Ca 0.15 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2vqe h VAL 60 Cb 0.07 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2vqe h VAL 60 CO -0.02 0.19 -0.08 1.23 0.02 0.00 0.00 177.57 178.91 2vqe h GLY 61 N 0.67 -0.25 0.31 2.17 0.00 0.03 -2.45 103.07 103.55 2vqe h GLY 61 Ca -0.00 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.43 2vqe h GLY 61 CO 0.03 -0.09 -0.46 -1.61 0.00 0.00 0.00 176.54 174.41 2vqe h GLN 62 N -0.73 -0.72 -0.79 4.80 5.75 -0.57 -1.23 115.11 121.62 2vqe h GLN 62 Ca -0.02 0.05 0.19 0.00 -0.15 0.00 0.00 58.65 58.71 2vqe h GLN 62 Cb 0.51 0.16 -0.13 0.00 1.07 0.00 0.00 27.48 29.09 2vqe h GLN 62 CO 0.04 -0.48 0.12 -0.09 -2.65 0.00 0.00 178.83 175.77 2vqe h ARG 63 N -0.75 0.17 0.00 1.69 2.43 -1.23 -0.32 114.38 116.38 2vqe h ARG 63 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2vqe h ARG 63 Cb 0.73 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2vqe h ARG 63 CO -0.21 0.11 -0.02 0.00 -1.51 0.00 0.00 179.97 178.35 2vqe h ARG 64 N 0.18 -0.03 -0.02 0.20 3.08 -0.79 0.32 114.38 117.31 2vqe h ARG 64 Ca 0.46 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.51 2vqe h ARG 64 Cb 0.84 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 2vqe h ARG 64 CO -0.62 -0.02 0.01 0.00 -1.07 0.00 0.00 179.97 178.27 2vqe h ARG 65 N -0.04 0.00 0.17 0.04 3.08 -0.00 0.41 114.38 118.04 2vqe h ARG 65 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2vqe h ARG 65 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2vqe h ARG 65 CO -0.02 0.00 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.73 2vqe h LEU 66 N 0.00 -0.19 -0.94 3.04 3.38 -0.60 -2.73 115.31 117.27 2vqe h LEU 66 Ca 0.01 -0.26 0.21 0.00 0.09 0.00 0.00 57.88 57.94 2vqe h LEU 66 Cb 0.03 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.72 2vqe h LEU 66 CO -0.00 0.36 0.51 -0.07 0.09 0.00 0.00 178.44 179.33 2vqe h LEU 67 N -0.97 0.56 -0.43 1.67 3.38 -0.68 0.29 115.31 119.13 2vqe h LEU 67 Ca -0.02 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2vqe h LEU 67 Cb 0.44 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2vqe h LEU 67 CO 0.04 0.11 0.20 -0.09 0.09 0.00 0.00 178.44 178.79 2vqe h ARG 68 N 0.56 0.39 -0.34 1.13 2.43 -0.95 -1.62 114.38 115.97 2vqe h ARG 68 Ca 0.58 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.80 2vqe h ARG 68 Cb 1.04 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 2vqe h ARG 68 CO -0.46 0.26 -0.13 -0.92 -1.51 0.00 0.00 179.97 177.21 2vqe h TYR 69 N 0.40 -0.29 0.41 2.20 3.20 -0.11 -2.73 116.97 120.05 2vqe h TYR 69 Ca 0.19 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 2vqe h TYR 69 Cb 0.11 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2vqe h TYR 69 CO -0.11 -0.20 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.82 2vqe h LEU 70 N -0.06 -0.85 -0.74 2.82 3.38 -0.77 -0.83 115.31 118.26 2vqe h LEU 70 Ca 0.17 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.30 2vqe h LEU 70 Cb 0.32 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2vqe h LEU 70 CO -0.39 -0.45 0.94 -0.61 0.09 0.00 0.00 178.44 178.01 2vqe h GLN 71 N -0.71 0.00 0.00 1.13 5.75 -1.18 1.19 115.11 121.29 2vqe h GLN 71 Ca -0.05 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2vqe h GLN 71 Cb 0.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.14 2vqe h GLN 71 CO 0.01 0.00 -1.93 -2.13 -2.65 0.00 0.00 178.83 172.13 2vqe n ARG 72 N -2.87 0.62 -0.03 1.69 0.63 -0.80 -3.88 116.66 112.02 2vqe n ARG 72 Ca 0.07 -0.19 0.03 0.00 -0.92 0.00 0.00 57.85 56.85 2vqe n ARG 72 Cb 1.05 -1.49 -0.13 0.00 0.45 0.00 0.00 32.46 32.34 2vqe n ARG 72 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2vqe n GLU 73 N -2.21 0.85 -2.74 -0.14 -0.58 0.36 -4.84 120.64 111.35 2vqe n GLU 73 Ca -0.04 -0.10 -0.07 0.00 -0.42 0.00 0.00 57.16 56.53 2vqe n GLU 73 Cb 0.54 -1.40 0.05 0.00 -0.57 0.00 0.00 31.44 30.06 2vqe n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2vqe n ASP 74 N -2.26 -2.65 0.31 1.62 -0.08 0.17 -5.00 116.55 108.67 2vqe n ASP 74 Ca -0.11 -3.01 0.02 0.00 -1.51 0.00 0.00 54.79 50.18 2vqe n ASP 74 Cb 0.64 1.63 0.10 0.00 2.34 0.00 0.00 41.12 45.84 2vqe n ASP 74 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2vqe h PRO 75 N 3.90 0.00 0.05 -0.67 0.13 -1.67 0.72 132.00 134.46 2vqe h PRO 75 Ca -0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2vqe h PRO 75 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2vqe h PRO 75 CO 0.22 0.00 -0.02 1.49 -0.23 0.00 0.00 178.00 179.46 2vqe h GLU 76 N 0.00 -0.07 -0.99 0.86 4.57 -1.92 -2.99 114.58 114.05 2vqe h GLU 76 Ca 0.00 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.40 2vqe h GLU 76 Cb 1.77 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 30.28 2vqe h GLU 76 CO 0.00 -0.04 0.62 0.00 -1.18 0.00 0.00 179.01 178.41 2vqe h ARG 77 N -0.96 0.54 0.00 1.92 3.08 -1.27 -1.59 114.38 116.09 2vqe h ARG 77 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2vqe h ARG 77 Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2vqe h ARG 77 CO 0.01 0.36 0.00 0.98 -1.07 0.00 0.00 179.97 180.25 2vqe n TYR 78 N -4.66 0.00 0.17 3.04 9.36 -0.71 -0.15 117.16 124.21 2vqe n TYR 78 Ca 0.23 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.63 2vqe n TYR 78 Cb 0.70 -0.49 0.80 0.00 -0.63 0.00 0.00 39.34 39.71 2vqe n TYR 78 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 2vqe h ARG 79 N 0.00 0.00 0.41 2.98 9.65 -1.31 -1.23 114.38 124.87 2vqe h ARG 79 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2vqe h ARG 79 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2vqe h ARG 79 CO 0.00 0.00 -0.20 0.00 2.80 0.00 0.00 179.97 182.57 2vqe h ALA 80 N 1.66 -0.55 -0.15 2.80 0.00 -0.74 -2.32 119.26 119.97 2vqe h ALA 80 Ca 0.12 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2vqe h ALA 80 Cb 0.71 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2vqe h ALA 80 CO -0.00 -0.60 -0.42 1.25 0.00 0.00 0.00 179.25 179.48 2vqe h LEU 81 N -0.96 -1.31 0.00 0.00 6.46 0.59 -1.15 115.31 118.94 2vqe h LEU 81 Ca -0.06 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2vqe h LEU 81 Cb 0.55 0.54 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 2vqe h LEU 81 CO 0.09 -0.42 0.00 -0.38 -0.62 0.00 0.00 178.44 177.11 2vqe n ILE 82 N -5.43 0.00 -0.28 4.05 5.41 -0.69 -1.03 119.36 121.38 2vqe n ILE 82 Ca -0.04 1.38 0.11 0.00 1.00 0.00 0.00 62.75 65.20 2vqe n ILE 82 Cb 0.36 -2.15 0.23 0.00 -0.71 0.00 0.00 39.64 37.37 2vqe n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2vqe n GLU 83 N -2.05 -0.07 0.46 0.38 0.00 -0.87 0.22 120.64 118.71 2vqe n GLU 83 Ca 0.00 1.21 -0.19 0.00 0.00 0.00 0.00 57.16 58.18 2vqe n GLU 83 Cb 0.00 -1.92 -0.09 0.00 0.00 0.00 0.00 31.44 29.42 2vqe n GLU 83 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2vqe h LYS 84 N 0.00 -1.11 0.53 5.31 3.64 -0.65 -3.31 116.57 120.98 2vqe h LYS 84 Ca 0.48 0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.91 2vqe h LYS 84 Cb 0.97 0.25 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2vqe h LYS 84 CO -0.77 -0.74 -0.25 -0.07 -2.27 0.00 0.00 179.45 175.35 2vqe h LEU 85 N -1.16 -0.60 0.00 5.20 3.38 0.13 -3.48 115.31 118.78 2vqe h LEU 85 Ca -0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2vqe h LEU 85 Cb 0.89 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2vqe h LEU 85 CO 0.19 -0.42 0.00 0.61 0.09 0.00 0.00 178.44 178.91 2vqe n GLY 86 N -1.24 1.60 3.84 0.83 0.00 0.13 -5.09 105.19 105.25 2vqe n GLY 86 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2vqe n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vqe s ILE 87 N -1.60 1.92 0.00 -0.61 1.01 -1.24 -4.44 121.20 116.24 2vqe s ILE 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2vqe s ILE 87 Cb 0.00 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.61 2vqe s ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 174.94 175.48 2vqe n ARG 88 N -3.89 0.00 0.00 2.79 5.12 -1.26 -4.87 116.66 114.55 2vqe n ARG 88 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2vqe n ARG 88 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 2vqe n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11