#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dev s LYS 3 N 0.00 3.39 -0.03 1.61 1.02 -1.26 -5.07 119.74 119.40 2dev s LYS 3 Ca 0.00 1.11 0.01 0.00 0.02 0.00 0.00 55.97 57.10 2dev s LYS 3 Cb 0.00 -2.05 0.02 0.00 -0.52 0.00 0.00 37.83 35.28 2dev s LYS 3 CO 0.00 -0.74 -0.02 0.08 -0.92 0.00 0.00 175.35 173.74 2dev s VAL 4 N -2.60 0.31 0.43 3.17 1.01 -1.26 -5.10 120.40 116.36 2dev s VAL 4 Ca 0.62 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2dev s VAL 4 Cb -0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 2dev s VAL 4 CO 0.39 0.15 0.26 -0.31 0.00 0.00 0.00 175.10 175.59 2dev s TYR 5 N 0.66 2.54 0.04 5.22 2.02 -1.26 -1.44 117.35 125.12 2dev s TYR 5 Ca -0.07 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2dev s TYR 5 Cb -0.10 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 2dev s TYR 5 CO -0.01 0.02 -0.04 0.21 -1.57 0.00 0.00 175.55 174.16 2dev s LYS 6 N -4.01 0.45 -0.04 -0.62 2.20 -0.25 -4.85 119.74 112.61 2dev s LYS 6 Ca 0.42 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 2dev s LYS 6 Cb 0.01 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 2dev s LYS 6 CO 0.24 -0.03 -0.14 0.15 -0.36 0.00 0.00 175.35 175.21 2dev s LYS 7 N -2.03 1.51 0.03 4.03 1.02 -1.26 -1.52 119.74 121.52 2dev s LYS 7 Ca -0.09 -0.49 0.08 0.00 0.02 0.00 0.00 55.97 55.49 2dev s LYS 7 Cb -0.06 -1.33 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 2dev s LYS 7 CO -0.02 0.18 -0.24 0.14 -0.92 0.00 0.00 175.35 174.49 2dev s VAL 8 N 0.15 1.94 -0.25 3.17 -7.23 -0.37 -4.92 120.40 112.89 2dev s VAL 8 Ca -0.05 -1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 58.77 2dev s VAL 8 Cb -0.11 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2dev s VAL 8 CO 0.02 0.36 0.16 -0.70 -0.31 0.00 0.00 175.10 174.63 2dev s GLU 9 N -1.06 4.05 0.28 4.82 2.12 -1.26 -0.35 118.70 127.30 2dev s GLU 9 Ca 0.10 -0.28 0.07 0.00 0.36 0.00 0.00 54.97 55.22 2dev s GLU 9 Cb -0.09 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.69 2dev s GLU 9 CO 0.01 0.02 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.18 2dev s LEU 10 N 1.17 2.48 -0.31 2.70 1.43 0.80 -4.97 118.68 121.98 2dev s LEU 10 Ca 0.07 -1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 51.98 2dev s LEU 10 Cb -0.14 -0.65 0.10 0.00 0.03 0.00 0.00 46.19 45.53 2dev s LEU 10 CO 0.05 -0.33 0.09 -0.69 0.23 0.00 0.00 176.35 175.70 2dev s VAL 11 N -3.00 0.97 0.27 -1.59 1.01 -1.26 -0.43 120.40 116.36 2dev s VAL 11 Ca 0.29 -1.44 -0.26 0.00 0.00 0.00 0.00 61.98 60.57 2dev s VAL 11 Cb 0.03 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 2dev s VAL 11 CO 0.12 -0.66 0.89 -0.83 0.00 0.00 0.00 175.10 174.62 2dev s GLY 12 N 1.57 2.87 0.25 4.51 0.00 -0.78 -4.84 107.32 110.91 2dev s GLY 12 Ca 0.10 0.47 0.09 0.00 0.00 0.00 0.00 44.72 45.38 2dev s GLY 12 CO -0.24 0.95 -0.14 -0.51 0.00 0.00 0.00 173.10 173.16 2dev s THR 13 N -1.43 1.96 -0.30 0.90 -4.23 -1.26 -1.13 115.64 110.15 2dev s THR 13 Ca 0.45 -2.25 -0.27 0.00 -1.18 0.00 0.00 61.69 58.44 2dev s THR 13 Cb -0.21 -2.24 0.20 0.00 1.34 0.00 0.00 72.50 71.59 2dev s THR 13 CO 0.26 -0.45 1.43 -0.55 -0.54 0.00 0.00 174.62 174.76 2dev s SER 14 N -3.42 -0.02 0.00 3.99 0.15 -0.56 -4.47 113.70 109.38 2dev s SER 14 Ca 0.27 0.03 0.26 0.00 0.70 0.00 0.00 55.95 57.21 2dev s SER 14 Cb -0.01 0.03 0.62 0.00 -1.71 0.00 0.00 66.02 64.95 2dev s SER 14 CO 0.11 -0.01 1.48 -0.62 1.20 0.00 0.00 173.24 175.40 2dev n GLU 15 N 1.01 0.84 -0.06 5.44 1.02 -1.26 0.12 120.64 127.76 2dev n GLU 15 Ca -0.05 -0.54 -0.05 0.00 -0.02 0.00 0.00 57.16 56.50 2dev n GLU 15 Cb 0.58 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.47 2dev n GLU 15 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dev h GLU 16 N 1.32 0.00 0.00 3.49 5.08 -1.95 -3.46 114.58 119.06 2dev h GLU 16 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dev h GLU 16 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2dev h GLU 16 CO 0.00 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 178.71 2dev n GLY 17 N 1.70 -1.21 0.08 -3.84 0.00 -1.26 -5.00 105.19 95.66 2dev n GLY 17 Ca -0.05 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 2dev n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dev h LEU 18 N 0.00 0.11 -1.06 0.99 3.38 -1.95 -1.65 115.31 115.14 2dev h LEU 18 Ca 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2dev h LEU 18 Cb 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2dev h LEU 18 CO 0.00 0.35 0.53 -0.33 0.09 0.00 0.00 178.44 179.08 2dev h GLU 19 N -0.13 1.17 0.12 1.13 3.07 -1.99 -2.02 114.58 115.93 2dev h GLU 19 Ca 0.02 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2dev h GLU 19 Cb 0.28 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 2dev h GLU 19 CO 0.00 0.82 -0.06 0.00 -1.40 0.00 0.00 179.01 178.37 2dev h ALA 20 N 1.39 -0.16 -0.83 3.43 0.00 -1.91 -0.83 119.26 120.34 2dev h ALA 20 Ca 0.31 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2dev h ALA 20 Cb -0.06 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2dev h ALA 20 CO -0.06 -0.56 0.50 0.00 0.00 0.00 0.00 179.25 179.13 2dev h ALA 21 N 0.65 1.17 0.26 0.00 0.00 -1.01 0.80 119.26 121.12 2dev h ALA 21 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dev h ALA 21 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dev h ALA 21 CO 0.03 0.19 -0.13 0.82 0.00 0.00 0.00 179.25 180.16 2dev h ILE 22 N 0.88 0.77 -0.51 0.00 2.04 -1.10 -2.34 117.51 117.25 2dev h ILE 22 Ca 0.38 -0.19 0.09 0.00 1.00 0.00 0.00 64.86 66.14 2dev h ILE 22 Cb 0.26 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 2dev h ILE 22 CO -0.21 0.04 0.07 1.56 0.00 0.00 0.00 178.15 179.62 2dev h GLN 23 N -0.45 0.19 -0.47 2.37 1.08 -0.48 -1.18 115.11 116.17 2dev h GLN 23 Ca -0.04 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.25 2dev h GLN 23 Cb 0.34 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.64 2dev h GLN 23 CO 0.06 0.13 -0.13 0.00 -0.95 0.00 0.00 178.83 177.93 2dev h ALA 24 N 1.42 0.29 -0.79 3.87 0.00 -0.68 0.61 119.26 123.98 2dev h ALA 24 Ca 0.26 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2dev h ALA 24 Cb 0.37 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2dev h ALA 24 CO -0.37 -0.46 0.40 0.00 0.00 0.00 0.00 179.25 178.83 2dev h ALA 25 N 1.44 1.01 -0.44 0.00 0.00 -0.74 -2.17 119.26 118.37 2dev h ALA 25 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2dev h ALA 25 Cb 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dev h ALA 25 CO -0.50 0.56 0.07 -0.07 0.00 0.00 0.00 179.25 179.31 2dev h LEU 26 N 1.11 0.70 0.09 0.00 3.38 0.06 -1.12 115.31 119.52 2dev h LEU 26 Ca 0.27 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2dev h LEU 26 Cb 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2dev h LEU 26 CO -0.04 0.79 -0.43 0.00 0.09 0.00 0.00 178.44 178.85 2dev h ALA 27 N 0.94 -0.75 0.00 1.53 0.00 0.49 0.65 119.26 122.12 2dev h ALA 27 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2dev h ALA 27 Cb 0.39 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dev h ALA 27 CO 0.01 -0.99 -0.08 -0.09 0.00 0.00 0.00 179.25 178.09 2dev h ARG 28 N -0.64 0.00 -0.13 0.00 9.65 -1.33 -2.20 114.38 119.73 2dev h ARG 28 Ca 0.03 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.72 2dev h ARG 28 Cb 0.68 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.26 2dev h ARG 28 CO -0.27 0.08 -0.69 0.00 2.80 0.00 0.00 179.97 181.90 2dev h ALA 29 N 1.92 0.56 0.00 2.80 0.00 0.15 -3.04 119.26 121.65 2dev h ALA 29 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2dev h ALA 29 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dev h ALA 29 CO 0.01 0.72 -0.02 -0.09 0.00 0.00 0.00 179.25 179.87 2dev h ARG 30 N 0.38 0.00 -0.10 0.00 2.43 -0.27 -0.81 114.38 116.01 2dev h ARG 30 Ca -0.02 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2dev h ARG 30 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2dev h ARG 30 CO 0.13 0.02 -0.44 0.87 -1.51 0.00 0.00 179.97 179.04 2dev h LYS 31 N 0.00 0.23 0.00 0.20 1.57 -1.52 -3.35 116.57 113.70 2dev h LYS 31 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2dev h LYS 31 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2dev h LYS 31 CO 0.00 0.63 0.00 0.25 -0.57 0.00 0.00 179.45 179.76 2dev n THR 32 N -4.00 0.00 -5.21 -0.16 -2.24 -0.99 -5.03 114.28 96.66 2dev n THR 32 Ca -0.02 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 2dev n THR 32 Cb 0.50 1.08 -0.16 0.00 -2.10 0.00 0.00 70.33 69.65 2dev n THR 32 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dev s LEU 33 N -0.52 2.07 0.02 3.22 1.43 -0.35 -5.13 118.68 119.42 2dev s LEU 33 Ca 0.00 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2dev s LEU 33 Cb 0.00 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2dev s LEU 33 CO 0.00 0.30 -0.09 -0.13 0.23 0.00 0.00 176.35 176.66 2dev s ARG 34 N -0.69 2.42 -0.48 1.70 0.52 -1.26 -4.56 118.95 116.60 2dev s ARG 34 Ca 0.10 -0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 54.49 2dev s ARG 34 Cb -0.10 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.95 2dev s ARG 34 CO -0.01 0.58 0.42 0.72 0.02 0.00 0.00 175.30 177.03 2dev n HIS 35 N 1.47 -0.97 -2.01 -0.53 8.25 -1.26 -4.38 115.22 115.78 2dev n HIS 35 Ca -0.15 0.37 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 2dev n HIS 35 Cb 0.52 -2.79 -0.03 0.00 1.12 0.00 0.00 29.99 28.82 2dev n HIS 35 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dev s LEU 36 N -3.48 4.35 -0.08 2.41 1.43 -1.26 -2.24 118.68 119.81 2dev s LEU 36 Ca 0.13 2.39 -0.09 0.00 -1.03 0.00 0.00 54.13 55.53 2dev s LEU 36 Cb -0.06 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2dev s LEU 36 CO 0.27 -0.83 -0.19 0.47 0.23 0.00 0.00 176.35 176.31 2dev n ASP 37 N 5.33 1.39 -4.15 2.29 8.00 -0.04 -4.98 116.55 124.41 2dev n ASP 37 Ca 0.15 0.22 -0.11 0.00 0.71 0.00 0.00 54.79 55.76 2dev n ASP 37 Cb 0.41 -0.52 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 2dev n ASP 37 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2dev s TRP 38 N -2.42 0.93 0.05 1.24 -2.14 -1.02 -5.01 118.94 110.57 2dev s TRP 38 Ca -0.17 -1.23 -0.00 0.00 2.66 0.00 0.00 56.10 57.36 2dev s TRP 38 Cb 0.04 -0.44 -0.03 0.00 -3.10 0.00 0.00 33.47 29.94 2dev s TRP 38 CO 0.24 -0.62 -0.04 -0.59 -2.66 0.00 0.00 176.95 173.28 2dev s PHE 39 N -4.09 0.51 -0.05 1.66 -0.12 -1.26 -0.13 117.98 114.50 2dev s PHE 39 Ca 0.30 -0.86 0.01 0.00 -0.05 0.00 0.00 56.93 56.32 2dev s PHE 39 Cb 0.06 -0.35 0.02 0.00 -0.63 0.00 0.00 43.02 42.12 2dev s PHE 39 CO 0.07 -0.28 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.71 2dev s GLU 40 N -3.07 0.88 -0.10 1.99 2.02 -0.08 -4.96 118.70 115.37 2dev s GLU 40 Ca 0.00 -0.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.62 2dev s GLU 40 Cb 0.01 -0.94 -0.02 0.00 0.10 0.00 0.00 34.13 33.29 2dev s GLU 40 CO -0.06 -0.13 0.92 0.08 0.02 0.00 0.00 175.26 176.09 2dev s VAL 41 N 1.14 4.86 -0.24 2.63 1.01 -1.26 -0.69 120.40 127.84 2dev s VAL 41 Ca -0.07 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.80 2dev s VAL 41 Cb -0.14 -4.24 -0.16 0.00 0.00 0.00 0.00 36.38 31.84 2dev s VAL 41 CO -0.01 0.07 -0.21 0.29 0.00 0.00 0.00 175.10 175.24 2dev n LYS 42 N 4.71 0.62 -3.97 2.72 4.76 0.23 -4.96 118.16 122.27 2dev n LYS 42 Ca 0.06 0.14 -0.08 0.00 -2.87 0.00 0.00 58.31 55.55 2dev n LYS 42 Cb 0.49 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 32.11 2dev n LYS 42 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2dev s GLU 43 N -2.49 0.72 -0.06 1.97 2.02 -0.89 -4.98 118.70 114.99 2dev s GLU 43 Ca -0.32 -1.06 -0.02 0.00 0.02 0.00 0.00 54.97 53.59 2dev s GLU 43 Cb 0.08 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.62 2dev s GLU 43 CO 0.57 -0.19 0.05 0.42 0.02 0.00 0.00 175.26 176.13 2dev s ILE 44 N -3.78 0.03 0.00 -1.63 1.01 -1.26 -0.93 121.20 114.64 2dev s ILE 44 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2dev s ILE 44 Cb 0.06 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.22 2dev s ILE 44 CO -0.10 0.16 0.00 -2.11 0.00 0.00 0.00 174.94 172.89 2dev n ARG 45 N 5.25 0.00 0.00 2.79 1.85 -0.24 -5.03 116.66 121.28 2dev n ARG 45 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 2dev n ARG 45 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 2dev n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dev n GLY 46 N 0.00 1.30 3.92 2.89 0.00 -1.26 -1.62 105.19 110.42 2dev n GLY 46 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 2dev n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dev s THR 47 N -2.00 4.33 -0.09 2.61 -4.23 -0.38 -4.97 115.64 110.91 2dev s THR 47 Ca 0.00 -1.16 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 2dev s THR 47 Cb 0.00 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2dev s THR 47 CO 0.00 -0.24 -0.22 -0.63 -0.54 0.00 0.00 174.62 172.98 2dev s ILE 48 N -2.15 1.90 0.00 2.99 1.01 -1.26 -1.41 121.20 122.28 2dev s ILE 48 Ca 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.10 2dev s ILE 48 Cb -0.08 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2dev s ILE 48 CO 0.28 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.36 2dev n GLY 49 N 3.46 5.17 0.23 6.18 0.00 0.18 -4.76 105.19 115.66 2dev n GLY 49 Ca -0.19 -2.14 0.09 0.00 0.00 0.00 0.00 46.02 43.78 2dev n GLY 49 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dev h GLU 50 N 0.00 0.00 -0.61 1.61 5.08 -2.00 -2.48 114.58 116.19 2dev h GLU 50 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dev h GLU 50 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dev h GLU 50 CO 0.00 0.20 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 2dev n ALA 51 N -2.35 2.40 0.00 3.43 0.00 -1.26 -5.05 120.51 117.69 2dev n ALA 51 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2dev n ALA 51 Cb 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2dev n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dev n GLY 52 N 1.56 0.69 3.59 0.00 0.00 -0.93 -4.96 105.19 105.13 2dev n GLY 52 Ca 0.22 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 44.36 2dev n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dev n VAL 53 N 0.00 0.40 0.02 1.61 0.31 -1.26 0.52 118.33 119.93 2dev n VAL 53 Ca 0.00 -0.33 -0.01 0.00 -0.01 0.00 0.00 64.34 63.99 2dev n VAL 53 Cb 0.00 -2.24 -0.01 0.00 -0.91 0.00 0.00 33.84 30.68 2dev n VAL 53 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2dev h LYS 54 N 13.08 -0.08 -4.23 5.55 3.64 -1.53 -3.44 116.57 129.55 2dev h LYS 54 Ca -0.40 0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 58.69 2dev h LYS 54 Cb 1.26 0.02 -0.27 0.00 -0.41 0.00 0.00 32.23 32.83 2dev h LYS 54 CO 0.97 -0.06 -0.74 -1.83 -2.27 0.00 0.00 179.45 175.52 2dev s GLU 55 N -1.69 0.36 -0.08 1.90 -1.05 -1.24 -4.48 118.70 112.41 2dev s GLU 55 Ca -0.01 -0.26 -0.18 0.00 -0.15 0.00 0.00 54.97 54.37 2dev s GLU 55 Cb 0.00 -0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.35 2dev s GLU 55 CO 0.04 0.07 0.48 0.71 0.95 0.00 0.00 175.26 177.51 2dev s TYR 56 N -0.36 3.57 -0.13 4.83 2.02 0.12 -1.25 117.35 126.15 2dev s TYR 56 Ca -0.01 0.94 0.02 0.00 -0.37 0.00 0.00 57.07 57.65 2dev s TYR 56 Cb -0.03 -2.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.03 2dev s TYR 56 CO -0.00 0.27 -0.18 -0.65 -1.57 0.00 0.00 175.55 173.42 2dev s GLN 57 N 0.25 2.56 -0.23 -0.62 -0.21 -0.64 -1.50 119.66 119.28 2dev s GLN 57 Ca 0.26 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.97 2dev s GLN 57 Cb -0.16 -2.15 0.04 0.00 1.00 0.00 0.00 33.01 31.74 2dev s GLN 57 CO 0.12 -0.07 -0.13 0.08 -2.12 0.00 0.00 175.29 173.17 2dev s VAL 58 N 0.99 2.33 -0.15 1.09 1.01 -0.29 -1.08 120.40 124.30 2dev s VAL 58 Ca -0.05 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 2dev s VAL 58 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2dev s VAL 58 CO -0.03 0.23 0.77 -0.69 0.00 0.00 0.00 175.10 175.37 2dev s VAL 59 N 1.23 4.94 0.10 2.92 1.01 -0.11 -1.86 120.40 128.63 2dev s VAL 59 Ca -0.02 1.51 -0.07 0.00 0.00 0.00 0.00 61.98 63.40 2dev s VAL 59 Cb -0.17 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2dev s VAL 59 CO -0.08 0.09 0.16 -1.48 0.00 0.00 0.00 175.10 173.79 2dev s LEU 60 N 1.83 1.56 -0.09 3.92 0.05 0.43 0.78 118.68 127.16 2dev s LEU 60 Ca 0.36 -0.78 0.00 0.00 0.05 0.00 0.00 54.13 53.77 2dev s LEU 60 Cb -0.17 0.87 -0.03 0.00 -2.05 0.00 0.00 46.19 44.82 2dev s LEU 60 CO 0.13 -0.73 -0.08 -1.61 -0.55 0.00 0.00 176.35 173.51 2dev s GLU 61 N -3.90 2.94 -0.16 1.48 2.02 0.13 -0.14 118.70 121.07 2dev s GLU 61 Ca 0.08 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 2dev s GLU 61 Cb 0.05 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 2dev s GLU 61 CO -0.08 0.55 -0.11 0.08 0.02 0.00 0.00 175.26 175.71 2dev s VAL 62 N -0.49 3.12 -0.10 2.63 1.01 0.53 -0.91 120.40 126.20 2dev s VAL 62 Ca 0.07 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 2dev s VAL 62 Cb -0.12 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2dev s VAL 62 CO 0.02 0.50 -0.07 -0.83 0.00 0.00 0.00 175.10 174.72 2dev s GLY 63 N 0.71 1.68 0.04 4.51 0.00 0.82 -1.24 107.32 113.84 2dev s GLY 63 Ca -0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 43.78 2dev s GLY 63 CO 0.02 -0.47 -0.00 -0.11 0.00 0.00 0.00 173.10 172.54 2dev s PHE 64 N -0.40 0.36 0.17 1.90 -0.71 -0.58 -0.86 117.98 117.87 2dev s PHE 64 Ca 0.06 -0.77 -0.29 0.00 -1.04 0.00 0.00 56.93 54.88 2dev s PHE 64 Cb -0.12 -0.27 -0.07 0.00 -1.21 0.00 0.00 43.02 41.34 2dev s PHE 64 CO 0.02 -0.32 0.93 0.50 -1.34 0.00 0.00 175.22 175.01 2dev s ARG 65 N -2.85 4.76 0.11 1.99 3.52 -0.95 -1.09 118.95 124.42 2dev s ARG 65 Ca -0.03 1.43 -0.09 0.00 -0.13 0.00 0.00 55.73 56.91 2dev s ARG 65 Cb 0.00 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 30.01 2dev s ARG 65 CO -0.06 0.38 0.41 -0.51 -0.81 0.00 0.00 175.30 174.71 2dev s LEU 66 N -0.63 4.32 0.47 -0.88 1.43 -0.52 -4.73 118.68 118.14 2dev s LEU 66 Ca 0.43 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2dev s LEU 66 Cb -0.24 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.86 2dev s LEU 66 CO 0.30 0.13 0.71 -1.61 0.23 0.00 0.00 176.35 176.11 2dev s GLU 67 N -2.14 3.01 0.00 1.70 2.02 -1.26 -4.67 118.70 117.37 2dev s GLU 67 Ca 0.36 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2dev s GLU 67 Cb -0.13 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.58 2dev s GLU 67 CO 0.20 -0.35 0.00 -0.85 0.02 0.00 0.00 175.26 174.27