#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 s ILE 3 N 0.00 2.08 0.60 4.25 1.01 -1.26 -5.11 121.20 122.78 1hr0 s ILE 3 Ca 0.00 -1.58 -0.17 0.00 0.00 0.00 0.00 60.65 58.90 1hr0 s ILE 3 Cb 0.00 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1hr0 s ILE 3 CO 0.00 -0.04 1.13 0.42 0.00 0.00 0.00 174.94 176.45 1hr0 s THR 4 N 1.14 3.13 0.24 2.92 -4.23 -1.26 -4.79 115.64 112.79 1hr0 s THR 4 Ca -0.09 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 60.94 1hr0 s THR 4 Cb -0.20 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 70.78 1hr0 s THR 4 CO -0.05 -0.24 1.61 0.11 -0.54 0.00 0.00 174.62 175.51 1hr0 h LYS 5 N 0.61 0.01 0.45 3.99 1.57 -1.99 0.97 116.57 122.19 1hr0 h LYS 5 Ca -0.49 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1hr0 h LYS 5 Cb 1.26 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1hr0 h LYS 5 CO 0.55 0.01 -0.48 1.05 -0.57 0.00 0.00 179.45 180.01 1hr0 h GLU 6 N 0.01 -0.91 -1.00 3.15 9.09 -1.99 0.52 114.58 123.46 1hr0 h GLU 6 Ca 0.38 0.06 0.39 0.00 0.05 0.00 0.00 59.36 60.24 1hr0 h GLU 6 Cb 0.60 0.21 -0.17 0.00 -1.65 0.00 0.00 28.75 27.74 1hr0 h GLU 6 CO -0.77 -0.61 0.53 0.93 0.05 0.00 0.00 179.01 179.14 1hr0 h GLU 7 N -0.95 0.09 0.00 1.06 5.08 -1.39 -0.25 114.58 118.23 1hr0 h GLU 7 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1hr0 h GLU 7 Cb 0.83 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1hr0 h GLU 7 CO -0.08 0.06 0.00 1.17 -1.00 0.00 0.00 179.01 179.16 1hr0 n LYS 8 N -5.21 0.00 -0.30 2.33 4.81 0.15 -3.47 118.16 116.47 1hr0 n LYS 8 Ca 0.36 0.30 0.19 0.00 -0.87 0.00 0.00 58.31 58.29 1hr0 n LYS 8 Cb 1.18 -1.03 0.36 0.00 0.02 0.00 0.00 35.03 35.56 1hr0 n LYS 8 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1hr0 n GLN 9 N -1.39 -0.07 -0.21 1.64 6.02 0.16 0.14 117.38 123.66 1hr0 n GLN 9 Ca 0.00 1.31 0.02 0.00 -0.01 0.00 0.00 57.00 58.32 1hr0 n GLN 9 Cb 0.00 -2.18 0.11 0.00 1.02 0.00 0.00 30.24 29.18 1hr0 n GLN 9 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1hr0 h LYS 10 N 0.00 0.12 -0.53 -1.09 1.63 -1.17 0.42 116.57 115.95 1hr0 h LYS 10 Ca 0.63 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.39 1hr0 h LYS 10 Cb 1.46 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.04 1hr0 h LYS 10 CO -0.79 0.08 0.22 0.28 -3.45 0.00 0.00 179.45 175.79 1hr0 h VAL 11 N 0.13 1.21 -0.71 2.00 2.07 0.11 0.21 116.25 121.28 1hr0 h VAL 11 Ca 0.33 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1hr0 h VAL 11 Cb 0.55 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1hr0 h VAL 11 CO -0.54 0.25 0.43 0.40 0.02 0.00 0.00 177.57 178.14 1hr0 h ILE 12 N 0.72 1.05 0.12 4.57 2.04 0.06 -0.82 117.51 125.24 1hr0 h ILE 12 Ca 0.18 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1hr0 h ILE 12 Cb 0.18 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1hr0 h ILE 12 CO -0.02 0.15 -0.06 1.56 0.00 0.00 0.00 178.15 179.79 1hr0 h GLN 13 N 0.82 -0.15 -0.10 2.37 4.20 -0.03 0.22 115.11 122.44 1hr0 h GLN 13 Ca 0.30 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.05 1hr0 h GLN 13 Cb 0.10 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1hr0 h GLN 13 CO -0.14 0.25 0.58 1.49 -0.67 0.00 0.00 178.83 180.34 1hr0 h GLU 14 N -0.59 0.00 0.00 1.46 4.57 -0.07 -2.90 114.58 117.05 1hr0 h GLU 14 Ca -0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1hr0 h GLU 14 Cb 0.47 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1hr0 h GLU 14 CO 0.03 0.00 -1.05 1.19 -1.18 0.00 0.00 179.01 178.00 1hr0 n PHE 15 N -2.89 0.00 -1.15 0.92 3.01 -0.36 -5.06 117.46 111.93 1hr0 n PHE 15 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.06 1hr0 n PHE 15 Cb 0.64 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 40.04 1hr0 n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hr0 n ALA 16 N -2.06 -2.64 0.18 4.37 0.00 0.76 -4.60 120.51 116.52 1hr0 n ALA 16 Ca -0.01 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.85 1hr0 n ALA 16 Cb 0.52 -1.33 0.33 0.00 0.00 0.00 0.00 19.45 18.98 1hr0 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hr0 h ARG 17 N 1.20 0.00 -2.61 0.00 2.47 -1.89 -3.46 114.38 110.08 1hr0 h ARG 17 Ca -0.27 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.51 1hr0 h ARG 17 Cb 1.16 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.35 1hr0 h ARG 17 CO 0.47 0.42 0.36 -0.59 0.56 0.00 0.00 179.97 181.20 1hr0 s PHE 18 N -3.84 -0.39 -0.07 3.04 -0.12 -1.26 -5.06 117.98 110.27 1hr0 s PHE 18 Ca -0.01 0.20 -0.38 0.00 -0.05 0.00 0.00 56.93 56.69 1hr0 s PHE 18 Cb 0.13 0.57 -0.16 0.00 -0.63 0.00 0.00 43.02 42.93 1hr0 s PHE 18 CO 0.71 -0.73 1.57 -2.30 -0.05 0.00 0.00 175.22 174.42 1hr0 n PRO 19 N -0.33 1.33 -0.17 1.99 -0.02 -1.26 -0.36 135.00 136.18 1hr0 n PRO 19 Ca -0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1hr0 n PRO 19 Cb 0.63 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1hr0 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hr0 n GLY 20 N 3.44 0.61 3.61 -1.23 0.00 -1.26 -5.03 105.19 105.33 1hr0 n GLY 20 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1hr0 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hr0 s ASP 21 N -2.90 6.43 -0.00 1.61 3.68 0.51 -4.81 116.67 121.19 1hr0 s ASP 21 Ca 0.00 0.93 0.04 0.00 2.13 0.00 0.00 52.55 55.65 1hr0 s ASP 21 Cb 0.00 -2.54 -0.05 0.00 -1.45 0.00 0.00 42.92 38.88 1hr0 s ASP 21 CO 0.00 -1.34 0.11 0.35 0.13 0.00 0.00 175.17 174.43 1hr0 n THR 22 N 6.83 0.00 -1.69 1.71 -2.24 -1.26 -4.59 114.28 113.04 1hr0 n THR 22 Ca 0.16 -0.20 0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1hr0 n THR 22 Cb 0.48 0.62 0.08 0.00 -2.10 0.00 0.00 70.33 69.40 1hr0 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hr0 n GLY 23 N 1.86 2.72 3.72 3.38 0.00 -1.26 -4.70 105.19 110.91 1hr0 n GLY 23 Ca -0.00 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1hr0 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hr0 s SER 24 N -2.09 4.04 0.50 1.61 0.01 -1.26 -4.75 113.70 111.75 1hr0 s SER 24 Ca 0.21 2.30 0.22 0.00 1.31 0.00 0.00 55.95 59.99 1hr0 s SER 24 Cb 0.20 -2.58 1.29 0.00 0.21 0.00 0.00 66.02 65.14 1hr0 s SER 24 CO -0.02 -2.36 1.97 0.74 0.41 0.00 0.00 173.24 173.98 1hr0 h THR 25 N -0.55 0.76 0.37 1.44 2.02 -1.99 -2.01 112.91 112.94 1hr0 h THR 25 Ca -0.47 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1hr0 h THR 25 Cb 1.29 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1hr0 h THR 25 CO 0.49 0.02 -0.18 -0.33 0.37 0.00 0.00 175.52 175.89 1hr0 h GLU 26 N 0.13 -0.48 -0.29 6.66 3.07 -1.92 -2.02 114.58 119.73 1hr0 h GLU 26 Ca 0.29 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.22 1hr0 h GLU 26 Cb 0.95 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.91 1hr0 h GLU 26 CO -0.04 -0.17 -0.48 0.28 -1.40 0.00 0.00 179.01 177.21 1hr0 h VAL 27 N -0.97 0.00 -0.62 3.13 2.07 -1.70 0.58 116.25 118.74 1hr0 h VAL 27 Ca -0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1hr0 h VAL 27 Cb 0.53 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.19 1hr0 h VAL 27 CO 0.08 0.00 -0.47 1.56 0.02 0.00 0.00 177.57 178.77 1hr0 h GLN 28 N -0.38 -0.21 -0.44 1.57 4.20 -1.45 0.97 115.11 119.36 1hr0 h GLN 28 Ca 0.05 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.85 1hr0 h GLN 28 Cb 0.53 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1hr0 h GLN 28 CO -0.48 -0.14 0.30 0.28 -0.67 0.00 0.00 178.83 178.12 1hr0 h VAL 29 N -0.22 0.93 0.40 -0.54 2.07 -0.56 0.10 116.25 118.44 1hr0 h VAL 29 Ca 0.17 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1hr0 h VAL 29 Cb 0.56 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1hr0 h VAL 29 CO -0.72 0.06 -0.19 0.00 0.02 0.00 0.00 177.57 176.73 1hr0 h ALA 30 N 1.77 -1.06 -0.99 1.67 0.00 0.64 -0.32 119.26 120.96 1hr0 h ALA 30 Ca 0.20 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1hr0 h ALA 30 Cb 0.39 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1hr0 h ALA 30 CO -0.04 -1.02 0.63 -0.07 0.00 0.00 0.00 179.25 178.75 1hr0 h LEU 31 N -0.57 0.99 -1.26 0.00 4.07 -0.77 0.10 115.31 117.87 1hr0 h LEU 31 Ca -0.05 0.02 0.05 0.00 0.08 0.00 0.00 57.88 57.97 1hr0 h LEU 31 Cb 0.41 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.91 1hr0 h LEU 31 CO 0.09 0.61 0.52 -0.07 -1.08 0.00 0.00 178.44 178.51 1hr0 h LEU 32 N 1.11 0.81 -0.78 1.67 3.38 -0.78 0.93 115.31 121.65 1hr0 h LEU 32 Ca 0.44 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.31 1hr0 h LEU 32 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1hr0 h LEU 32 CO -0.19 0.54 -0.17 0.74 0.09 0.00 0.00 178.44 179.45 1hr0 h THR 33 N 0.93 1.26 0.89 0.22 2.02 0.81 -1.58 112.91 117.48 1hr0 h THR 33 Ca 0.33 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 1hr0 h THR 33 Cb 0.12 1.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1hr0 h THR 33 CO -0.10 0.42 -0.43 0.25 0.37 0.00 0.00 175.52 176.02 1hr0 h LEU 34 N 0.67 -1.02 -0.72 2.58 6.46 0.14 -1.76 115.31 121.67 1hr0 h LEU 34 Ca 0.10 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.96 1hr0 h LEU 34 Cb 0.65 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.79 1hr0 h LEU 34 CO 0.05 -0.70 0.40 0.03 -0.62 0.00 0.00 178.44 177.60 1hr0 h ARG 35 N -1.25 0.71 0.10 1.25 3.08 -1.04 -1.47 114.38 115.76 1hr0 h ARG 35 Ca -0.12 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.91 1hr0 h ARG 35 Cb 0.92 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1hr0 h ARG 35 CO 0.20 0.47 -0.38 0.82 -1.07 0.00 0.00 179.97 180.01 1hr0 h ILE 36 N 0.73 0.21 -0.81 2.04 2.04 -1.16 0.12 117.51 120.67 1hr0 h ILE 36 Ca 0.32 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.28 1hr0 h ILE 36 Cb 0.22 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 1hr0 h ILE 36 CO -0.20 0.00 0.45 0.78 0.00 0.00 0.00 178.15 179.19 1hr0 h ASN 37 N -0.60 0.63 0.15 1.72 -0.26 -0.86 1.12 115.58 117.49 1hr0 h ASN 37 Ca 0.03 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1hr0 h ASN 37 Cb 0.64 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1hr0 h ASN 37 CO -0.24 0.35 -0.21 0.03 -1.06 0.00 0.00 177.43 176.30 1hr0 h ARG 38 N 0.75 -0.36 -0.47 0.81 2.47 -0.39 0.56 114.38 117.75 1hr0 h ARG 38 Ca 0.40 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 59.24 1hr0 h ARG 38 Cb 0.39 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 28.70 1hr0 h ARG 38 CO -0.26 -0.24 -0.18 1.25 0.56 0.00 0.00 179.97 181.10 1hr0 h LEU 39 N -0.38 -0.63 -0.72 3.04 6.46 -0.45 0.67 115.31 123.30 1hr0 h LEU 39 Ca -0.02 0.16 0.15 0.00 -0.12 0.00 0.00 57.88 58.06 1hr0 h LEU 39 Cb 0.34 0.36 -0.11 0.00 -0.73 0.00 0.00 40.66 40.53 1hr0 h LEU 39 CO -0.06 -0.21 0.17 0.28 -0.62 0.00 0.00 178.44 178.00 1hr0 h SER 40 N -0.07 0.01 0.47 1.25 0.02 0.16 0.52 113.55 115.89 1hr0 h SER 40 Ca 0.23 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1hr0 h SER 40 Cb 0.42 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1hr0 h SER 40 CO -0.52 -0.03 -0.23 -0.08 -1.14 0.00 0.00 176.83 174.83 1hr0 h GLU 41 N 0.27 -0.61 -0.99 3.45 4.57 0.54 -1.48 114.58 120.32 1hr0 h GLU 41 Ca 0.40 0.04 0.17 0.00 -1.18 0.00 0.00 59.36 58.79 1hr0 h GLU 41 Cb 0.68 0.14 -0.17 0.00 -0.16 0.00 0.00 28.75 29.24 1hr0 h GLU 41 CO -0.50 -0.41 -0.35 1.25 -1.18 0.00 0.00 179.01 177.82 1hr0 h HIS 42 N -0.63 -0.93 0.00 0.92 2.76 0.11 0.95 115.15 118.32 1hr0 h HIS 42 Ca -0.06 0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1hr0 h HIS 42 Cb 0.49 0.56 -0.00 0.00 1.55 0.00 0.00 27.41 30.00 1hr0 h HIS 42 CO 0.12 -0.41 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.24 1hr0 h LEU 43 N -0.00 0.00 -0.99 0.26 3.38 0.06 -1.94 115.31 116.08 1hr0 h LEU 43 Ca 0.38 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.53 1hr0 h LEU 43 Cb 0.63 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 1hr0 h LEU 43 CO -1.00 0.03 0.60 0.11 0.09 0.00 0.00 178.44 178.27 1hr0 h LYS 44 N 0.00 0.76 0.00 1.13 1.79 0.21 -3.25 116.57 117.20 1hr0 h LYS 44 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1hr0 h LYS 44 Cb 0.32 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1hr0 h LYS 44 CO 0.00 0.50 0.00 0.28 -1.08 0.00 0.00 179.45 179.15 1hr0 n VAL 45 N -4.76 0.00 -1.89 0.50 0.31 -0.76 -4.66 118.33 107.07 1hr0 n VAL 45 Ca 0.22 0.16 -0.24 0.00 -0.01 0.00 0.00 64.34 64.47 1hr0 n VAL 45 Cb 0.54 -0.60 -0.08 0.00 -0.91 0.00 0.00 33.84 32.78 1hr0 n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1hr0 n HIS 46 N -1.13 2.10 0.22 3.52 8.25 -1.00 -4.71 115.22 122.47 1hr0 n HIS 46 Ca 0.00 -1.03 0.11 0.00 -0.26 0.00 0.00 57.72 56.54 1hr0 n HIS 46 Cb 0.00 -2.61 0.42 0.00 1.12 0.00 0.00 29.99 28.92 1hr0 n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1hr0 h LYS 47 N 10.35 0.00 -0.04 -0.41 1.57 -1.83 -3.00 116.57 123.21 1hr0 h LYS 47 Ca 0.15 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 1hr0 h LYS 47 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1hr0 h LYS 47 CO 1.16 0.19 -0.70 0.87 -0.57 0.00 0.00 179.45 180.40 1hr0 h LYS 48 N 0.00 0.20 -4.60 3.15 1.57 -1.91 -3.38 116.57 111.60 1hr0 h LYS 48 Ca -0.00 -0.17 -0.45 0.00 -1.87 0.00 0.00 60.65 58.16 1hr0 h LYS 48 Cb 0.80 0.03 0.09 0.00 0.08 0.00 0.00 32.23 33.24 1hr0 h LYS 48 CO 0.02 0.82 1.49 -3.47 -0.57 0.00 0.00 179.45 177.74 1hr0 n ASP 49 N -3.79 1.20 -0.15 0.86 2.03 -1.13 -4.56 116.55 111.01 1hr0 n ASP 49 Ca -0.03 -2.40 -0.10 0.00 0.52 0.00 0.00 54.79 52.79 1hr0 n ASP 49 Cb 0.68 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 40.45 1hr0 n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1hr0 h HIS 50 N 9.01 0.81 -0.90 -0.67 3.86 -1.86 -2.99 115.15 122.41 1hr0 h HIS 50 Ca 0.24 -0.14 0.24 0.00 -1.16 0.00 0.00 60.37 59.54 1hr0 h HIS 50 Cb 0.50 -0.21 -0.16 0.00 1.06 0.00 0.00 27.41 28.60 1hr0 h HIS 50 CO 1.34 0.80 0.06 0.45 0.86 0.00 0.00 177.93 181.44 1hr0 h HIS 51 N 0.58 0.03 0.00 2.45 3.86 -1.97 0.98 115.15 121.07 1hr0 h HIS 51 Ca 0.12 0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.33 1hr0 h HIS 51 Cb 0.47 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1hr0 h HIS 51 CO 0.04 -0.34 -0.32 0.77 0.86 0.00 0.00 177.93 178.94 1hr0 h SER 52 N 0.07 0.00 0.21 2.45 0.02 -1.91 -2.88 113.55 111.51 1hr0 h SER 52 Ca 0.54 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.46 1hr0 h SER 52 Cb 1.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 1hr0 h SER 52 CO -0.80 0.32 -0.12 -0.74 -1.14 0.00 0.00 176.83 174.35 1hr0 h HIS 53 N 0.00 0.00 -0.32 3.45 6.17 0.10 -0.75 115.15 123.81 1hr0 h HIS 53 Ca -0.00 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 1hr0 h HIS 53 Cb 0.67 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.59 1hr0 h HIS 53 CO 0.00 0.12 0.04 -0.09 0.71 0.00 0.00 177.93 178.71 1hr0 h ARG 54 N 0.00 0.53 -0.76 5.26 2.43 -1.27 0.05 114.38 120.62 1hr0 h ARG 54 Ca -0.00 -0.15 0.16 0.00 -0.81 0.00 0.00 59.98 59.18 1hr0 h ARG 54 Cb 0.26 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.64 1hr0 h ARG 54 CO 0.02 0.64 0.24 0.78 -1.51 0.00 0.00 179.97 180.13 1hr0 h GLY 55 N 0.35 1.11 0.92 2.80 0.00 -1.26 0.89 103.07 107.88 1hr0 h GLY 55 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1hr0 h GLY 55 CO 0.01 -0.17 -0.11 -2.00 0.00 0.00 0.00 176.54 174.26 1hr0 h LEU 56 N 0.34 -0.29 -1.16 3.11 5.85 -0.87 0.35 115.31 122.63 1hr0 h LEU 56 Ca 0.43 0.02 0.20 0.00 0.84 0.00 0.00 57.88 59.37 1hr0 h LEU 56 Cb 0.71 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 1hr0 h LEU 56 CO -0.48 -0.18 0.62 -0.07 -0.34 0.00 0.00 178.44 177.99 1hr0 h LEU 57 N -0.28 0.66 -0.04 2.25 4.07 0.10 0.17 115.31 122.24 1hr0 h LEU 57 Ca -0.01 0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.89 1hr0 h LEU 57 Cb 0.24 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.96 1hr0 h LEU 57 CO 0.01 0.23 -0.51 0.24 -1.08 0.00 0.00 178.44 177.32 1hr0 h MET 58 N 0.64 0.42 -0.94 1.13 2.86 -0.50 -1.70 114.93 116.83 1hr0 h MET 58 Ca 0.56 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1hr0 h MET 58 Cb 1.04 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.76 1hr0 h MET 58 CO -0.33 1.05 0.60 0.52 1.06 0.00 0.00 176.91 179.81 1hr0 h MET 59 N -0.07 1.25 -0.48 1.72 2.86 0.00 -0.33 114.93 119.89 1hr0 h MET 59 Ca -0.05 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1hr0 h MET 59 Cb 1.20 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1hr0 h MET 59 CO 0.10 0.85 -0.11 0.28 1.06 0.00 0.00 176.91 179.09 1hr0 h VAL 60 N 1.28 1.27 -0.35 -2.22 2.07 -0.70 -1.65 116.25 115.94 1hr0 h VAL 60 Ca 0.34 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1hr0 h VAL 60 Cb -0.11 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1hr0 h VAL 60 CO -0.07 0.43 0.23 1.23 0.02 0.00 0.00 177.57 179.41 1hr0 h GLY 61 N 0.76 0.50 0.96 2.17 0.00 -0.65 -0.48 103.07 106.33 1hr0 h GLY 61 Ca 0.12 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1hr0 h GLY 61 CO 0.05 0.19 0.60 -1.61 0.00 0.00 0.00 176.54 175.77 1hr0 h GLN 62 N 0.48 1.18 0.13 4.80 5.75 -0.93 -1.40 115.11 125.12 1hr0 h GLN 62 Ca 0.13 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1hr0 h GLN 62 Cb -0.04 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.25 1hr0 h GLN 62 CO -0.03 0.78 -0.06 -0.09 -2.65 0.00 0.00 178.83 176.78 1hr0 h ARG 63 N 1.21 -0.17 -0.89 1.69 2.43 -0.80 -1.38 114.38 116.46 1hr0 h ARG 63 Ca 0.35 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.75 1hr0 h ARG 63 Cb -0.09 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 1hr0 h ARG 63 CO -0.09 0.20 0.60 0.00 -1.51 0.00 0.00 179.97 179.17 1hr0 h ARG 64 N -0.59 0.29 -0.06 0.20 3.08 -0.92 0.70 114.38 117.08 1hr0 h ARG 64 Ca -0.02 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1hr0 h ARG 64 Cb 0.46 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1hr0 h ARG 64 CO 0.03 0.19 -0.13 0.00 -1.07 0.00 0.00 179.97 178.99 1hr0 h ARG 65 N 0.30 0.19 0.77 0.04 3.08 -0.98 -0.72 114.38 117.06 1hr0 h ARG 65 Ca 0.46 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 1hr0 h ARG 65 Cb 1.30 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1hr0 h ARG 65 CO -0.14 0.72 -0.43 -0.07 -1.07 0.00 0.00 179.97 178.98 1hr0 h LEU 66 N -0.31 -1.07 -0.82 3.04 3.38 -0.04 -0.46 115.31 119.02 1hr0 h LEU 66 Ca 0.00 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.23 1hr0 h LEU 66 Cb 0.72 0.30 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 1hr0 h LEU 66 CO 0.03 -0.69 0.09 -0.07 0.09 0.00 0.00 178.44 177.89 1hr0 h LEU 67 N -1.11 -0.23 0.12 1.67 3.38 -1.00 0.28 115.31 118.42 1hr0 h LEU 67 Ca -0.10 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1hr0 h LEU 67 Cb 0.88 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1hr0 h LEU 67 CO 0.13 -0.18 -0.40 -0.09 0.09 0.00 0.00 178.44 177.99 1hr0 h ARG 68 N 0.14 -0.61 -0.73 1.13 2.43 -0.54 0.14 114.38 116.34 1hr0 h ARG 68 Ca 0.48 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.83 1hr0 h ARG 68 Cb 0.90 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 30.50 1hr0 h ARG 68 CO -0.68 -0.41 0.27 -0.92 -1.51 0.00 0.00 179.97 176.72 1hr0 h TYR 69 N -0.63 0.45 0.70 2.20 3.20 0.95 -0.74 116.97 123.09 1hr0 h TYR 69 Ca 0.02 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1hr0 h TYR 69 Cb 0.66 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1hr0 h TYR 69 CO -0.35 0.04 -0.37 1.25 -1.64 0.00 0.00 178.16 177.09 1hr0 h LEU 70 N 0.40 -0.89 -1.69 2.82 7.12 0.22 -0.67 115.31 122.63 1hr0 h LEU 70 Ca 0.40 0.04 0.25 0.00 0.13 0.00 0.00 57.88 58.70 1hr0 h LEU 70 Cb 0.60 0.24 -0.06 0.00 -0.53 0.00 0.00 40.66 40.92 1hr0 h LEU 70 CO -0.41 -0.60 0.65 -0.61 -0.13 0.00 0.00 178.44 177.35 1hr0 h GLN 71 N -0.97 0.22 -0.13 1.25 -0.00 -0.43 0.29 115.11 115.34 1hr0 h GLN 71 Ca -0.09 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.37 1hr0 h GLN 71 Cb 0.76 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 1hr0 h GLN 71 CO 0.13 0.15 -0.62 -0.09 0.00 0.00 0.00 178.83 178.40 1hr0 h ARG 72 N 0.23 0.48 0.10 1.69 2.43 -0.71 -2.97 114.38 115.62 1hr0 h ARG 72 Ca 0.49 -0.33 -0.30 0.00 -0.81 0.00 0.00 59.98 59.02 1hr0 h ARG 72 Cb 1.53 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 1hr0 h ARG 72 CO -0.13 0.95 -1.55 0.93 -1.51 0.00 0.00 179.97 178.66 1hr0 h GLU 73 N 0.35 0.20 -1.43 0.20 4.39 0.97 -3.43 114.58 115.83 1hr0 h GLU 73 Ca -0.01 -0.35 -0.27 0.00 0.34 0.00 0.00 59.36 59.07 1hr0 h GLU 73 Cb 1.18 0.13 -0.23 0.00 -0.10 0.00 0.00 28.75 29.72 1hr0 h GLU 73 CO 0.11 1.03 -0.63 0.34 -1.16 0.00 0.00 179.01 178.71 1hr0 s ASP 74 N -6.85 -0.51 0.58 1.42 -1.08 0.63 -4.99 116.67 105.86 1hr0 s ASP 74 Ca -0.09 -2.00 0.31 0.00 -0.52 0.00 0.00 52.55 50.25 1hr0 s ASP 74 Cb 0.07 1.20 1.38 0.00 -1.46 0.00 0.00 42.92 44.11 1hr0 s ASP 74 CO 0.84 -0.11 1.74 1.55 0.52 0.00 0.00 175.17 179.72 1hr0 h PRO 75 N 5.48 0.00 0.24 4.34 0.13 -1.69 -1.94 132.00 138.56 1hr0 h PRO 75 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1hr0 h PRO 75 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1hr0 h PRO 75 CO 0.12 0.00 -0.12 1.49 -0.23 0.00 0.00 178.00 179.27 1hr0 h GLU 76 N 0.00 -0.31 -0.81 0.86 4.57 -1.92 -1.56 114.58 115.41 1hr0 h GLU 76 Ca 0.37 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.71 1hr0 h GLU 76 Cb 1.86 0.07 -0.14 0.00 -0.16 0.00 0.00 28.75 30.38 1hr0 h GLU 76 CO -0.00 -0.21 -0.35 0.00 -1.18 0.00 0.00 179.01 177.27 1hr0 h ARG 77 N -0.37 -0.07 -0.79 1.92 3.08 -1.75 -0.09 114.38 116.32 1hr0 h ARG 77 Ca -0.03 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.10 1hr0 h ARG 77 Cb 0.25 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.20 1hr0 h ARG 77 CO 0.05 -0.05 -0.57 -0.92 -1.07 0.00 0.00 179.97 177.42 1hr0 h TYR 78 N -0.07 -1.78 -0.68 3.04 3.20 -1.43 0.55 116.97 119.78 1hr0 h TYR 78 Ca 0.30 0.11 0.12 0.00 3.14 0.00 0.00 58.73 62.40 1hr0 h TYR 78 Cb 0.58 0.88 -0.08 0.00 1.54 0.00 0.00 36.73 39.65 1hr0 h TYR 78 CO -0.76 -0.41 0.25 0.00 -1.64 0.00 0.00 178.16 175.60 1hr0 h ARG 79 N -0.14 0.40 0.37 1.82 3.08 0.01 -1.34 114.38 118.57 1hr0 h ARG 79 Ca 0.14 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1hr0 h ARG 79 Cb 0.48 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1hr0 h ARG 79 CO -0.82 0.27 -0.32 0.00 -1.07 0.00 0.00 179.97 178.02 1hr0 h ALA 80 N 1.49 -0.72 0.06 0.04 0.00 0.67 -2.97 119.26 117.84 1hr0 h ALA 80 Ca 0.36 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1hr0 h ALA 80 Cb 0.51 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1hr0 h ALA 80 CO -0.36 -0.93 -0.33 1.25 0.00 0.00 0.00 179.25 178.87 1hr0 h LEU 81 N -0.70 -1.01 -0.09 0.00 6.46 0.91 -1.91 115.31 118.97 1hr0 h LEU 81 Ca -0.03 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1hr0 h LEU 81 Cb 0.62 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1hr0 h LEU 81 CO -0.04 -0.35 -0.11 0.40 -0.62 0.00 0.00 178.44 177.73 1hr0 h ILE 82 N -0.47 0.00 -0.94 4.05 2.04 -1.34 0.73 117.51 121.58 1hr0 h ILE 82 Ca -0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1hr0 h ILE 82 Cb 0.47 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.40 1hr0 h ILE 82 CO -0.19 0.00 -0.36 1.21 0.00 0.00 0.00 178.15 178.81 1hr0 n GLU 83 N -3.24 -0.21 0.12 2.37 0.00 -1.12 0.10 120.64 118.65 1hr0 n GLU 83 Ca -0.01 1.44 -0.07 0.00 0.00 0.00 0.00 57.16 58.53 1hr0 n GLU 83 Cb 0.06 -2.14 -0.04 0.00 0.00 0.00 0.00 31.44 29.32 1hr0 n GLU 83 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1hr0 h LYS 84 N 0.00 -0.38 0.00 5.31 3.64 -0.40 -2.10 116.57 122.63 1hr0 h LYS 84 Ca 0.33 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1hr0 h LYS 84 Cb 0.57 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1hr0 h LYS 84 CO -0.93 -0.26 0.05 1.28 -2.27 0.00 0.00 179.45 177.33 1hr0 n LEU 85 N -3.54 0.41 -0.26 5.20 4.77 0.14 -4.82 117.00 118.90 1hr0 n LEU 85 Ca -0.05 0.67 -0.03 0.00 -0.03 0.00 0.00 56.01 56.57 1hr0 n LEU 85 Cb 0.18 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1hr0 n LEU 85 CO 0.10 -0.81 -0.03 0.61 -1.33 0.00 0.00 177.39 175.93 1hr0 n GLY 86 N -1.33 0.57 3.81 -0.72 0.00 0.11 -5.03 105.19 102.61 1hr0 n GLY 86 Ca -0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1hr0 n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hr0 s ILE 87 N -2.12 3.39 0.00 -0.61 1.01 -0.99 -4.87 121.20 117.00 1hr0 s ILE 87 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1hr0 s ILE 87 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1hr0 s ILE 87 CO 0.00 -0.59 0.00 0.54 0.00 0.00 0.00 174.94 174.89 1hr0 n ARG 88 N -3.31 0.00 -0.79 2.79 5.12 -1.26 -4.70 116.66 114.50 1hr0 n ARG 88 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1hr0 n ARG 88 Cb 0.55 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 1hr0 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11