#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg5 n MET 21 N 0.00 3.47 -3.56 1.57 0.00 -1.26 -5.01 117.12 112.32 2kg5 n MET 21 Ca 0.00 -4.26 -0.13 0.00 0.00 0.00 0.00 57.70 53.31 2kg5 n MET 21 Cb 0.00 -2.27 -0.06 0.00 0.00 0.00 0.00 33.22 30.90 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg5 s ALA 22 N -3.60 -1.88 0.23 3.17 0.00 -1.26 -5.07 121.76 113.35 2kg5 s ALA 22 Ca 0.50 1.54 0.07 0.00 0.00 0.00 0.00 51.96 54.07 2kg5 s ALA 22 Cb 0.41 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2kg5 s ALA 22 CO -0.08 -0.32 0.11 0.00 0.00 0.00 0.00 175.76 175.47 2kg5 s ALA 23 N -1.00 3.42 1.17 0.00 0.00 -1.26 -5.13 121.76 118.97 2kg5 s ALA 23 Ca -0.04 -1.45 -0.14 0.00 0.00 0.00 0.00 51.96 50.33 2kg5 s ALA 23 Cb -0.01 -1.13 0.21 0.00 0.00 0.00 0.00 23.12 22.19 2kg5 s ALA 23 CO 0.04 0.32 0.75 -0.35 0.00 0.00 0.00 175.76 176.51 2kg5 n PRO 24 N -0.87 -2.49 0.00 0.00 -0.04 -1.26 -4.99 135.00 125.35 2kg5 n PRO 24 Ca -0.08 -1.20 -0.02 0.00 -0.04 0.00 0.00 63.50 62.17 2kg5 n PRO 24 Cb 0.57 -1.12 -0.11 0.00 -0.04 0.00 0.00 33.50 32.80 2kg5 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kg5 n GLN 25 N -3.80 0.63 -1.47 0.54 10.64 -1.26 -4.24 117.38 118.43 2kg5 n GLN 25 Ca 0.10 0.18 -0.28 0.00 -1.83 0.00 0.00 57.00 55.17 2kg5 n GLN 25 Cb 0.40 -1.75 -0.02 0.00 -0.86 0.00 0.00 30.24 28.01 2kg5 n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2kg5 n ASP 26 N -2.86 6.75 -4.48 2.61 8.00 -1.26 -3.17 116.55 122.14 2kg5 n ASP 26 Ca -0.14 -3.34 -0.36 0.00 0.71 0.00 0.00 54.79 51.66 2kg5 n ASP 26 Cb 0.90 -1.16 -0.12 0.00 -0.02 0.00 0.00 41.12 40.72 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kg5 s LEU 27 N -2.58 3.51 0.18 0.64 2.96 -1.26 -5.04 118.68 117.08 2kg5 s LEU 27 Ca 0.54 -0.16 -0.32 0.00 -0.22 0.00 0.00 54.13 53.97 2kg5 s LEU 27 Cb 0.38 -1.93 -0.16 0.00 0.50 0.00 0.00 46.19 44.98 2kg5 s LEU 27 CO -0.21 0.00 1.10 -0.67 -1.32 0.00 0.00 176.35 175.25 2kg5 n ASP 28 N 4.68 1.11 0.34 3.68 -0.08 -1.26 -2.09 116.55 122.92 2kg5 n ASP 28 Ca -0.16 1.15 0.22 0.00 -1.51 0.00 0.00 54.79 54.49 2kg5 n ASP 28 Cb 0.52 -1.20 1.21 0.00 2.34 0.00 0.00 41.12 43.99 2kg5 n ASP 28 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2kg5 h ILE 29 N 2.48 0.04 0.03 5.18 6.09 -0.77 -1.06 117.51 129.49 2kg5 h ILE 29 Ca -0.42 -0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 62.83 2kg5 h ILE 29 Cb 1.35 1.00 0.00 0.00 0.47 0.00 0.00 36.82 39.65 2kg5 h ILE 29 CO 0.68 0.00 -1.00 0.00 -3.07 0.00 0.00 178.15 174.76 2kg5 h ALA 30 N 2.00 0.31 0.00 0.18 0.00 -1.84 -2.99 119.26 116.91 2kg5 h ALA 30 Ca -0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 2kg5 h ALA 30 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2kg5 h ALA 30 CO 0.00 0.83 -0.31 0.28 0.00 0.00 0.00 179.25 180.06 2kg5 h VAL 31 N 0.21 0.66 0.14 0.00 2.07 -1.54 -1.18 116.25 116.61 2kg5 h VAL 31 Ca -0.09 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2kg5 h VAL 31 Cb 1.65 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2kg5 h VAL 31 CO 0.17 0.30 -0.07 -0.25 0.02 0.00 0.00 177.57 177.74 2kg5 h TRP 32 N 0.00 -0.17 0.00 1.57 7.01 -1.48 -3.27 115.95 119.60 2kg5 h TRP 32 Ca -0.00 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2kg5 h TRP 32 Cb 0.93 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 28.05 2kg5 h TRP 32 CO 0.00 0.27 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.82 2kg5 h LEU 33 N -0.88 0.00 -2.50 0.65 4.07 -1.59 -2.93 115.31 112.13 2kg5 h LEU 33 Ca -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2kg5 h LEU 33 Cb 0.53 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 2kg5 h LEU 33 CO 0.03 0.03 -0.02 0.00 -1.08 0.00 0.00 178.44 177.41 2kg5 h ALA 34 N 1.97 1.33 0.00 1.53 0.00 -1.26 0.30 119.26 123.13 2kg5 h ALA 34 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kg5 h ALA 34 Cb 0.65 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kg5 h ALA 34 CO 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 179.25 178.99 2kg5 h THR 35 N 0.00 0.91 -0.34 0.00 1.03 -1.61 -2.66 112.91 110.24 2kg5 h THR 35 Ca -0.00 -1.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.31 2kg5 h THR 35 Cb 0.07 1.64 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 2kg5 h THR 35 CO 0.00 0.28 0.00 1.33 -0.01 0.00 0.00 175.52 177.12 2kg5 n VAL 36 N -3.78 1.44 -3.24 0.00 0.24 -0.39 -4.97 118.33 107.64 2kg5 n VAL 36 Ca -0.01 -1.29 -0.16 0.00 -2.04 0.00 0.00 64.34 60.84 2kg5 n VAL 36 Cb 0.38 0.25 0.07 0.00 -1.47 0.00 0.00 33.84 33.06 2kg5 n VAL 36 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2kg5 n HIS 37 N 0.23 -1.99 -2.02 6.34 -0.00 -0.92 -4.92 115.22 111.93 2kg5 n HIS 37 Ca 0.15 0.77 0.01 0.00 -0.00 0.00 0.00 57.72 58.65 2kg5 n HIS 37 Cb 0.59 -4.32 0.01 0.00 -0.00 0.00 0.00 29.99 26.27 2kg5 n HIS 37 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2kg5 n LEU 38 N -3.75 0.19 0.20 0.27 4.77 -0.04 -4.85 117.00 113.79 2kg5 n LEU 38 Ca -0.12 -1.18 0.18 0.00 -0.03 0.00 0.00 56.01 54.85 2kg5 n LEU 38 Cb 0.59 -0.02 0.83 0.00 -2.33 0.00 0.00 43.42 42.50 2kg5 n LEU 38 CO 0.50 0.30 1.15 1.05 -1.33 0.00 0.00 177.39 179.05 2kg5 h GLU 39 N 0.11 0.00 -0.09 3.23 4.11 -1.76 0.23 114.58 120.40 2kg5 h GLU 39 Ca -0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.43 2kg5 h GLU 39 Cb 1.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 2kg5 h GLU 39 CO 0.01 0.00 0.11 -0.56 0.07 0.00 0.00 179.01 178.64 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.24 115.11 117.58 2kg5 h GLN 40 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 2kg5 h GLN 40 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2kg5 h GLN 40 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 2kg5 n TYR 41 N -3.77 0.00 0.25 0.06 4.01 0.07 -3.23 117.16 114.55 2kg5 n TYR 41 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.84 2kg5 n TYR 41 Cb 0.21 -0.31 0.71 0.00 -0.31 0.00 0.00 39.34 39.63 2kg5 n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kg5 h ALA 42 N 3.04 1.93 0.17 -0.72 0.00 -0.68 -2.47 119.26 120.53 2kg5 h ALA 42 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kg5 h ALA 42 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kg5 h ALA 42 CO 0.00 -0.05 -0.11 0.22 0.00 0.00 0.00 179.25 179.30 2kg5 h ASP 43 N 0.00 -0.30 -0.52 0.00 3.58 -1.76 0.12 116.42 117.55 2kg5 h ASP 43 Ca 0.02 0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.60 2kg5 h ASP 43 Cb 0.08 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2kg5 h ASP 43 CO -0.00 -0.17 0.36 0.00 -2.88 0.00 0.00 179.24 176.55 2kg5 h THR 44 N -0.27 0.83 0.20 2.25 1.03 -1.80 -1.76 112.91 113.38 2kg5 h THR 44 Ca -0.02 -0.07 -0.01 0.00 -0.01 0.00 0.00 66.41 66.30 2kg5 h THR 44 Cb 0.22 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 67.92 2kg5 h THR 44 CO 0.02 0.03 -0.09 -0.26 -0.01 0.00 0.00 175.52 175.21 2kg5 h PHE 45 N 0.19 -0.25 -0.56 0.00 -1.00 -1.17 -2.46 116.94 111.70 2kg5 h PHE 45 Ca 0.24 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.04 2kg5 h PHE 45 Cb 0.71 0.08 -0.04 0.00 3.61 0.00 0.00 35.95 40.31 2kg5 h PHE 45 CO -0.00 0.03 0.34 0.00 -1.61 0.00 0.00 178.31 177.07 2kg5 h ARG 46 N -0.51 0.65 0.00 1.51 3.08 -0.10 -0.31 114.38 118.70 2kg5 h ARG 46 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2kg5 h ARG 46 Cb 0.39 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2kg5 h ARG 46 CO 0.04 0.43 0.00 -0.09 -1.07 0.00 0.00 179.97 179.29 2kg5 h ARG 47 N 0.67 0.00 -0.00 0.04 9.65 -1.31 0.76 114.38 124.19 2kg5 h ARG 47 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2kg5 h ARG 47 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2kg5 h ARG 47 CO -0.10 0.00 -0.12 1.58 2.80 0.00 0.00 179.97 184.14 2kg5 n HIS 48 N -2.66 0.00 -0.18 2.20 -0.00 -0.15 -4.89 115.22 109.55 2kg5 n HIS 48 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2kg5 n HIS 48 Cb 0.10 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 29.82 2kg5 n HIS 48 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kg5 n GLY 49 N 1.27 0.89 2.53 1.57 0.00 0.26 -5.05 105.19 106.66 2kg5 n GLY 49 Ca 0.15 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2kg5 n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kg5 s LEU 50 N 0.00 1.06 -0.06 0.99 2.34 -1.10 -4.96 118.68 116.95 2kg5 s LEU 50 Ca 0.00 -1.85 0.20 0.00 0.06 0.00 0.00 54.13 52.54 2kg5 s LEU 50 Cb 0.00 -0.47 0.68 0.00 -0.56 0.00 0.00 46.19 45.84 2kg5 s LEU 50 CO 0.00 -0.36 1.58 0.00 -1.06 0.00 0.00 176.35 176.50 2kg5 n ALA 51 N 4.52 2.77 -2.78 1.48 0.00 -1.26 -3.08 120.51 122.15 2kg5 n ALA 51 Ca 0.04 -1.41 -0.10 0.00 0.00 0.00 0.00 53.44 51.97 2kg5 n ALA 51 Cb 0.39 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 2kg5 n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kg5 s THR 52 N -1.47 0.12 -0.31 0.00 -4.23 -1.26 -0.05 115.64 108.44 2kg5 s THR 52 Ca 0.49 -1.02 0.25 0.00 -1.18 0.00 0.00 61.69 60.24 2kg5 s THR 52 Cb 0.29 -0.87 0.27 0.00 1.34 0.00 0.00 72.50 73.53 2kg5 s THR 52 CO 0.28 -0.56 1.77 0.00 -0.54 0.00 0.00 174.62 175.57 2kg5 h ALA 53 N 3.64 1.00 0.03 3.99 0.00 -1.63 -2.44 119.26 123.86 2kg5 h ALA 53 Ca -0.32 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 2kg5 h ALA 53 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kg5 h ALA 53 CO 0.49 0.00 -1.14 0.78 0.00 0.00 0.00 179.25 179.38 2kg5 h GLY 54 N 1.79 0.07 -1.63 0.00 0.00 -1.81 -1.52 103.07 99.97 2kg5 h GLY 54 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2kg5 h GLY 54 CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.70 2kg5 n ALA 55 N -2.42 2.48 0.00 3.60 0.00 -1.00 -4.08 120.51 119.09 2kg5 n ALA 55 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2kg5 n ALA 55 Cb 0.97 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2kg5 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 n ALA 56 N 1.06 1.97 0.26 0.00 0.00 -0.95 -4.64 120.51 118.20 2kg5 n ALA 56 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.78 2kg5 n ALA 56 Cb 0.53 0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.87 2kg5 n ALA 56 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2kg5 h ARG 57 N 0.00 0.00 -0.20 0.00 0.11 -1.42 0.30 114.38 113.17 2kg5 h ARG 57 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kg5 h ARG 57 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2kg5 h ARG 57 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 2kg5 n GLY 58 N -1.29 -0.07 3.80 0.08 0.00 -1.26 -4.89 105.19 101.56 2kg5 n GLY 58 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2kg5 n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kg5 s LEU 59 N -1.00 3.85 0.44 0.99 1.43 0.11 -5.07 118.68 119.42 2kg5 s LEU 59 Ca 0.13 1.86 0.03 0.00 -1.03 0.00 0.00 54.13 55.12 2kg5 s LEU 59 Cb 0.07 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 2kg5 s LEU 59 CO 0.09 -0.70 0.07 -0.83 0.23 0.00 0.00 176.35 175.21 2kg5 s GLY 60 N -2.09 2.71 0.07 -3.19 0.00 -1.26 -5.02 107.32 98.53 2kg5 s GLY 60 Ca 0.66 -1.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.06 2kg5 s GLY 60 CO 0.19 -1.98 1.61 0.45 0.00 0.00 0.00 173.10 173.37 2kg5 h HIS 61 N 1.65 -0.26 0.00 1.90 3.86 -1.97 -0.64 115.15 119.69 2kg5 h HIS 61 Ca -0.39 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.80 2kg5 h HIS 61 Cb 1.28 0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.84 2kg5 h HIS 61 CO 1.39 -0.10 -0.06 0.93 0.86 0.00 0.00 177.93 180.96 2kg5 h GLU 62 N -0.36 0.00 0.07 2.45 3.07 -2.01 -1.88 114.58 115.92 2kg5 h GLU 62 Ca -0.03 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.59 2kg5 h GLU 62 Cb 0.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2kg5 h GLU 62 CO 0.05 0.06 -1.10 0.93 -1.40 0.00 0.00 179.01 177.54 2kg5 h GLU 63 N 0.00 0.26 0.00 2.33 4.39 -1.82 -3.20 114.58 116.53 2kg5 h GLU 63 Ca -0.00 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.30 2kg5 h GLU 63 Cb 0.18 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2kg5 h GLU 63 CO 0.01 1.13 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.79 2kg5 h LEU 64 N 0.10 0.00 -0.40 1.33 4.07 -0.28 -2.47 115.31 117.66 2kg5 h LEU 64 Ca -0.10 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.81 2kg5 h LEU 64 Cb 1.80 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.52 2kg5 h LEU 64 CO 0.18 0.13 0.06 0.11 -1.08 0.00 0.00 178.44 177.84 2kg5 h LYS 65 N 0.00 0.66 0.00 1.13 1.57 -1.52 -2.59 116.57 115.82 2kg5 h LYS 65 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2kg5 h LYS 65 Cb 0.43 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2kg5 h LYS 65 CO 0.02 0.72 0.00 0.94 -0.57 0.00 0.00 179.45 180.56 2kg5 n GLN 66 N -4.51 0.22 0.24 3.15 7.27 -1.07 -3.22 117.38 119.46 2kg5 n GLN 66 Ca -0.01 0.18 0.13 0.00 0.07 0.00 0.00 57.00 57.37 2kg5 n GLN 66 Cb 0.24 -1.75 0.56 0.00 2.41 0.00 0.00 30.24 31.70 2kg5 n GLN 66 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2kg5 h LEU 67 N 0.00 0.00 0.00 1.69 3.38 -1.07 -3.46 115.31 115.86 2kg5 h LEU 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kg5 h LEU 67 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2kg5 h LEU 67 CO 0.00 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.28 2kg5 n GLY 68 N 0.03 1.70 3.51 0.83 0.00 -1.20 -4.86 105.19 105.22 2kg5 n GLY 68 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kg5 n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kg5 s ILE 69 N -2.00 4.41 -0.01 -0.61 1.01 -1.08 -4.94 121.20 117.98 2kg5 s ILE 69 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.56 2kg5 s ILE 69 Cb 0.00 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 2kg5 s ILE 69 CO 0.00 0.40 0.12 -0.24 0.00 0.00 0.00 174.94 175.22 2kg5 n SER 70 N 4.30 3.66 -4.56 3.58 2.88 -1.26 -4.34 113.62 117.88 2kg5 n SER 70 Ca -0.16 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.97 2kg5 n SER 70 Cb 0.52 1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 65.19 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 s ALA 71 N -2.40 2.64 0.39 -1.46 0.00 -1.26 -4.86 121.76 114.81 2kg5 s ALA 71 Ca -0.02 -1.05 0.15 0.00 0.00 0.00 0.00 51.96 51.03 2kg5 s ALA 71 Cb 0.04 -4.23 1.00 0.00 0.00 0.00 0.00 23.12 19.93 2kg5 s ALA 71 CO 0.24 -3.33 1.83 1.15 0.00 0.00 0.00 175.76 175.65 2kg5 h THR 72 N 6.29 0.67 -0.41 0.00 2.02 -2.00 0.15 112.91 119.63 2kg5 h THR 72 Ca -0.27 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 2kg5 h THR 72 Cb 1.08 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2kg5 h THR 72 CO 1.24 0.09 0.08 1.23 0.37 0.00 0.00 175.52 178.53 2kg5 h GLY 73 N 0.49 0.66 1.40 2.16 0.00 -1.99 -2.22 103.07 103.57 2kg5 h GLY 73 Ca 0.51 -0.36 -0.28 0.00 0.00 0.00 0.00 47.33 47.20 2kg5 h GLY 73 CO -0.24 0.34 -1.19 0.45 0.00 0.00 0.00 176.54 175.90 2kg5 h HIS 74 N 0.60 0.80 0.45 5.60 -0.00 -1.15 -2.95 115.15 118.50 2kg5 h HIS 74 Ca 0.14 -0.51 -0.02 0.00 -0.00 0.00 0.00 60.37 59.98 2kg5 h HIS 74 Cb 0.26 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2kg5 h HIS 74 CO 0.01 1.36 -0.25 -0.09 -0.00 0.00 0.00 177.93 178.96 2kg5 h ARG 75 N 0.21 -0.64 0.00 2.45 2.43 -1.00 -1.67 114.38 116.16 2kg5 h ARG 75 Ca -0.16 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2kg5 h ARG 75 Cb 1.87 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.56 2kg5 h ARG 75 CO 0.22 -0.42 0.00 0.87 -1.51 0.00 0.00 179.97 179.12 2kg5 h LYS 76 N -0.66 0.00 0.00 0.20 1.57 -1.53 -1.49 116.57 114.66 2kg5 h LYS 76 Ca -0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2kg5 h LYS 76 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2kg5 h LYS 76 CO 0.07 0.00 -0.17 -0.09 -0.57 0.00 0.00 179.45 178.69 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.13 -2.89 114.38 115.94 2kg5 h ARG 77 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2kg5 h ARG 77 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2kg5 h ARG 77 CO 0.00 0.17 -1.28 -0.89 -1.51 0.00 0.00 179.97 176.45 2kg5 n ILE 78 N -3.15 1.49 -0.14 1.20 5.41 -0.61 -4.25 119.36 119.31 2kg5 n ILE 78 Ca 0.03 0.01 0.15 0.00 1.00 0.00 0.00 62.75 63.93 2kg5 n ILE 78 Cb 0.58 -2.19 0.51 0.00 -0.71 0.00 0.00 39.64 37.83 2kg5 n ILE 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2kg5 h LEU 79 N -1.00 0.37 -2.40 1.39 3.38 -1.59 0.28 115.31 115.75 2kg5 h LEU 79 Ca -0.23 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2kg5 h LEU 79 Cb 1.07 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2kg5 h LEU 79 CO -0.14 0.20 -0.03 -0.09 0.09 0.00 0.00 178.44 178.47 2kg5 h ARG 80 N 0.40 0.00 0.01 1.13 2.43 -1.71 -2.20 114.38 114.45 2kg5 h ARG 80 Ca 0.34 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.18 2kg5 h ARG 80 Cb 0.77 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 2kg5 h ARG 80 CO -0.10 0.03 -1.98 -0.11 -1.51 0.00 0.00 179.97 176.30 2kg5 n LEU 81 N -3.33 0.95 -0.31 3.80 7.94 0.93 -4.04 117.00 122.95 2kg5 n LEU 81 Ca -0.02 0.24 -0.01 0.00 -1.11 0.00 0.00 56.01 55.11 2kg5 n LEU 81 Cb 0.15 0.05 0.16 0.00 0.53 0.00 0.00 43.42 44.31 2kg5 n LEU 81 CO 0.25 0.51 1.25 0.25 -1.11 0.00 0.00 177.39 178.54 2kg5 h LEU 82 N 0.01 1.04 -0.04 -1.96 6.46 -0.73 -2.80 115.31 117.29 2kg5 h LEU 82 Ca -0.39 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2kg5 h LEU 82 Cb 2.08 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 41.74 2kg5 h LEU 82 CO 0.06 0.77 0.01 1.56 -0.62 0.00 0.00 178.44 180.22 2kg5 h GLN 83 N 1.21 0.07 -6.94 1.25 4.20 -1.67 -3.46 115.11 109.78 2kg5 h GLN 83 Ca 0.32 -0.01 -0.56 0.00 0.06 0.00 0.00 58.65 58.46 2kg5 h GLN 83 Cb -0.11 -0.01 -0.33 0.00 0.30 0.00 0.00 27.48 27.33 2kg5 h GLN 83 CO -0.07 0.24 -0.81 -2.37 -0.67 0.00 0.00 178.83 175.15 2kg5 n THR 84 N -4.95 -0.10 -1.98 -0.54 5.66 -1.06 -4.65 114.28 106.66 2kg5 n THR 84 Ca -0.07 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.90 2kg5 n THR 84 Cb 0.12 -0.57 -0.03 0.00 -1.55 0.00 0.00 70.33 68.30 2kg5 n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kg5 n GLY 85 N -1.04 0.77 2.91 1.09 0.00 -1.26 -5.07 105.19 102.59 2kg5 n GLY 85 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2kg5 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kg5 s THR 86 N 0.00 0.09 -0.35 2.61 -4.23 -1.26 -5.04 115.64 107.45 2kg5 s THR 86 Ca 0.00 -0.24 0.13 0.00 -1.18 0.00 0.00 61.69 60.39 2kg5 s THR 86 Cb 0.00 -0.12 0.41 0.00 1.34 0.00 0.00 72.50 74.13 2kg5 s THR 86 CO 0.00 -0.10 1.51 -1.84 -0.54 0.00 0.00 174.62 173.65 2kg5 n GLU 87 N 2.72 1.35 -0.78 3.99 0.28 -1.26 -5.13 120.64 121.80 2kg5 n GLU 87 Ca -0.15 -1.36 -0.33 0.00 -0.16 0.00 0.00 57.16 55.16 2kg5 n GLU 87 Cb 0.59 0.31 0.13 0.00 1.43 0.00 0.00 31.44 33.89 2kg5 n GLU 87 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2kg5 n GLU 88 N -1.38 -0.50 -3.65 3.44 0.28 -1.26 -4.95 120.64 112.63 2kg5 n GLU 88 Ca -0.15 -0.11 -0.37 0.00 -0.16 0.00 0.00 57.16 56.37 2kg5 n GLU 88 Cb 0.87 -1.80 -0.10 0.00 1.43 0.00 0.00 31.44 31.84 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2kg5 s GLY 89 N -1.95 1.95 -0.36 -1.84 0.00 -1.26 -5.06 107.32 98.81 2kg5 s GLY 89 Ca 0.56 -0.98 -0.24 0.00 0.00 0.00 0.00 44.72 44.06 2kg5 s GLY 89 CO 0.68 0.50 0.83 -0.45 0.00 0.00 0.00 173.10 174.66 2kg5 s SER 90 N 1.35 6.61 -0.30 1.64 0.15 -1.26 -5.00 113.70 116.90 2kg5 s SER 90 Ca 0.07 0.47 -0.08 0.00 0.70 0.00 0.00 55.95 57.11 2kg5 s SER 90 Cb -0.15 -2.42 0.14 0.00 -1.71 0.00 0.00 66.02 61.88 2kg5 s SER 90 CO 0.07 -0.76 0.63 -1.48 1.20 0.00 0.00 173.24 172.90 2kg5 s LEU 91 N 3.21 -1.17 -0.47 3.45 0.05 -1.26 -5.09 118.68 117.40 2kg5 s LEU 91 Ca 0.34 1.45 0.05 0.00 0.05 0.00 0.00 54.13 56.01 2kg5 s LEU 91 Cb -0.13 2.26 0.23 0.00 -2.05 0.00 0.00 46.19 46.50 2kg5 s LEU 91 CO 0.17 -0.23 0.91 -0.90 -0.55 0.00 0.00 176.35 175.75 2kg5 n ASP 92 N 5.44 -2.77 -4.76 1.48 5.68 -1.26 -5.15 116.55 115.22 2kg5 n ASP 92 Ca -0.10 -2.92 -0.41 0.00 -0.50 0.00 0.00 54.79 50.86 2kg5 n ASP 92 Cb 0.49 1.63 -0.03 0.00 -1.14 0.00 0.00 41.12 42.07 2kg5 n ASP 92 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2kg5 s PRO 93 N 0.68 4.44 -0.07 0.11 0.04 -1.26 -5.02 135.00 133.92 2kg5 s PRO 93 Ca 0.30 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.23 2kg5 s PRO 93 Cb 0.17 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.52 2kg5 s PRO 93 CO -0.18 -0.09 0.45 0.15 0.04 0.00 0.00 177.00 177.37 2kg5 s LYS 94 N -1.22 4.21 0.03 4.56 -0.14 -1.26 -5.08 119.74 120.85 2kg5 s LYS 94 Ca 0.50 0.44 -0.02 0.00 -1.36 0.00 0.00 55.97 55.53 2kg5 s LYS 94 Cb -0.37 -3.36 -0.02 0.00 -1.68 0.00 0.00 37.83 32.40 2kg5 s LYS 94 CO 0.45 0.34 0.01 -1.54 -0.76 0.00 0.00 175.35 173.86 2kg5 s SER 95 N 0.02 0.25 0.36 2.83 1.04 -1.26 -5.17 113.70 111.77 2kg5 s SER 95 Ca 0.25 -0.57 0.08 0.00 0.48 0.00 0.00 55.95 56.19 2kg5 s SER 95 Cb -0.16 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2kg5 s SER 95 CO 0.11 -0.41 0.18 1.51 0.98 0.00 0.00 173.24 175.62 2kg5 s ASP 96 N -1.87 4.71 0.15 7.02 -4.77 -1.26 -5.14 116.67 115.51 2kg5 s ASP 96 Ca -0.09 -0.81 0.03 0.00 -3.30 0.00 0.00 52.55 48.39 2kg5 s ASP 96 Cb -0.04 -0.69 -0.04 0.00 -1.09 0.00 0.00 42.92 41.06 2kg5 s ASP 96 CO -0.03 -0.38 0.22 -0.55 0.70 0.00 0.00 175.17 175.14 2kg5 s SER 97 N -3.89 6.02 -0.33 2.11 0.15 -1.26 -5.03 113.70 111.46 2kg5 s SER 97 Ca 0.39 0.05 0.07 0.00 0.70 0.00 0.00 55.95 57.17 2kg5 s SER 97 Cb -0.02 -1.73 0.46 0.00 -1.71 0.00 0.00 66.02 63.03 2kg5 s SER 97 CO 0.23 0.06 1.38 0.00 1.20 0.00 0.00 173.24 176.12 2kg5 n ALA 98 N -0.45 4.86 -1.23 5.45 0.00 -1.26 -5.09 120.51 122.79 2kg5 n ALA 98 Ca -0.07 -3.53 0.16 0.00 0.00 0.00 0.00 53.44 50.00 2kg5 n ALA 98 Cb 0.54 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 2kg5 n ALA 98 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2kg5 n MET 99 N -0.90 -2.53 0.00 0.00 1.56 -1.26 -5.40 117.12 108.59 2kg5 n MET 99 Ca 0.41 1.73 0.06 0.00 -0.27 0.00 0.00 57.70 59.62 2kg5 n MET 99 Cb 0.91 -3.06 0.36 0.00 2.15 0.00 0.00 33.22 33.57 2kg5 n MET 99 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63