#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg5 s MET 21 N 0.00 0.62 -0.04 -1.40 0.00 -1.26 -5.19 119.30 112.02 2kg5 s MET 21 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 55.69 55.03 2kg5 s MET 21 Cb 0.00 0.19 0.11 0.00 0.00 0.00 0.00 34.83 35.13 2kg5 s MET 21 CO 0.00 -0.29 0.92 0.00 0.00 0.00 0.00 175.02 175.65 2kg5 s ALA 22 N -2.34 -1.85 0.89 4.11 0.00 -1.26 -5.02 121.76 116.29 2kg5 s ALA 22 Ca 0.20 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 2kg5 s ALA 22 Cb 0.01 0.18 0.10 0.00 0.00 0.00 0.00 23.12 23.41 2kg5 s ALA 22 CO -0.01 -0.61 0.96 0.00 0.00 0.00 0.00 175.76 176.10 2kg5 n ALA 23 N -0.03 -1.10 -1.05 0.00 0.00 -1.26 -5.00 120.51 112.07 2kg5 n ALA 23 Ca -0.09 -0.51 -0.16 0.00 0.00 0.00 0.00 53.44 52.68 2kg5 n ALA 23 Cb 0.61 -2.10 0.21 0.00 0.00 0.00 0.00 19.45 18.17 2kg5 n ALA 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kg5 n PRO 24 N -3.29 -2.80 -0.07 0.00 -0.04 -1.26 -5.01 135.00 122.53 2kg5 n PRO 24 Ca 0.11 -1.45 -0.11 0.00 -0.04 0.00 0.00 63.50 62.01 2kg5 n PRO 24 Cb 0.52 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.47 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 -4.28 0.67 -1.37 0.54 10.64 -1.26 -4.38 117.38 117.93 2kg5 n GLN 25 Ca 0.13 0.12 -0.24 0.00 -1.83 0.00 0.00 57.00 55.17 2kg5 n GLN 25 Cb 0.49 -1.62 -0.06 0.00 -0.86 0.00 0.00 30.24 28.19 2kg5 n GLN 25 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2kg5 n ASP 26 N -2.94 6.36 -4.44 2.61 -0.08 -1.26 -3.04 116.55 113.75 2kg5 n ASP 26 Ca -0.29 -3.12 -0.37 0.00 -1.51 0.00 0.00 54.79 49.50 2kg5 n ASP 26 Cb 1.10 -1.23 -0.12 0.00 2.34 0.00 0.00 41.12 43.21 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2kg5 s LEU 27 N -1.94 3.50 0.16 -2.67 2.96 -1.26 -5.04 118.68 114.40 2kg5 s LEU 27 Ca 0.56 -0.25 -0.33 0.00 -0.22 0.00 0.00 54.13 53.89 2kg5 s LEU 27 Cb 0.36 -1.93 -0.16 0.00 0.50 0.00 0.00 46.19 44.96 2kg5 s LEU 27 CO -0.18 -0.05 1.12 -0.67 -1.32 0.00 0.00 176.35 175.25 2kg5 n ASP 28 N 4.93 1.08 0.34 3.68 2.03 -1.26 -1.97 116.55 125.37 2kg5 n ASP 28 Ca -0.16 1.14 0.22 0.00 0.52 0.00 0.00 54.79 56.51 2kg5 n ASP 28 Cb 0.51 -1.18 1.18 0.00 -0.72 0.00 0.00 41.12 40.91 2kg5 n ASP 28 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2kg5 h ILE 29 N 2.59 0.01 -0.01 5.18 6.09 -0.74 -0.76 117.51 129.87 2kg5 h ILE 29 Ca -0.43 0.00 -0.22 0.00 -1.37 0.00 0.00 64.86 62.84 2kg5 h ILE 29 Cb 1.36 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.61 2kg5 h ILE 29 CO 0.69 0.00 -0.92 0.00 -3.07 0.00 0.00 178.15 174.85 2kg5 h ALA 30 N 1.92 0.38 0.00 0.18 0.00 -1.85 -2.82 119.26 117.06 2kg5 h ALA 30 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 2kg5 h ALA 30 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kg5 h ALA 30 CO -0.00 0.81 -0.34 0.28 0.00 0.00 0.00 179.25 180.00 2kg5 h VAL 31 N 0.24 0.70 0.05 0.00 2.07 -1.48 -1.32 116.25 116.51 2kg5 h VAL 31 Ca -0.08 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 2kg5 h VAL 31 Cb 1.55 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2kg5 h VAL 31 CO 0.16 0.33 -0.02 -0.25 0.02 0.00 0.00 177.57 177.81 2kg5 h TRP 32 N 0.00 -0.06 0.00 1.57 7.01 -1.47 -3.29 115.95 119.71 2kg5 h TRP 32 Ca -0.00 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2kg5 h TRP 32 Cb 0.99 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.06 2kg5 h TRP 32 CO 0.00 0.58 -0.22 -0.07 -2.79 0.00 0.00 178.44 175.94 2kg5 h LEU 33 N -0.83 0.00 -2.25 0.65 3.38 -1.56 -2.83 115.31 111.87 2kg5 h LEU 33 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kg5 h LEU 33 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2kg5 h LEU 33 CO 0.01 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.76 2kg5 h ALA 34 N 1.78 1.00 0.00 1.53 0.00 -1.30 -0.89 119.26 121.37 2kg5 h ALA 34 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kg5 h ALA 34 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kg5 h ALA 34 CO 0.03 0.00 -0.22 1.79 0.00 0.00 0.00 179.25 180.85 2kg5 h THR 35 N 0.00 0.71 -0.21 0.00 1.35 -1.58 -2.70 112.91 110.49 2kg5 h THR 35 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2kg5 h THR 35 Cb 0.15 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2kg5 h THR 35 CO 0.00 0.22 0.00 1.33 -0.25 0.00 0.00 175.52 176.82 2kg5 n VAL 36 N -3.63 1.60 -3.34 6.82 0.24 -0.60 -4.97 118.33 114.46 2kg5 n VAL 36 Ca -0.01 -1.51 -0.18 0.00 -2.04 0.00 0.00 64.34 60.59 2kg5 n VAL 36 Cb 0.35 0.11 0.07 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.31 -2.23 -2.30 6.34 -0.00 -1.02 -4.92 115.22 110.78 2kg5 n HIS 37 Ca 0.14 0.81 0.03 0.00 -0.00 0.00 0.00 57.72 58.70 2kg5 n HIS 37 Cb 0.60 -4.31 0.02 0.00 -0.00 0.00 0.00 29.99 26.30 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 -4.03 0.79 0.28 0.27 4.77 -0.44 -4.86 117.00 113.78 2kg5 n LEU 38 Ca -0.04 -1.79 0.18 0.00 -0.03 0.00 0.00 56.01 54.33 2kg5 n LEU 38 Cb 0.57 -0.02 0.93 0.00 -2.33 0.00 0.00 43.42 42.57 2kg5 n LEU 38 CO 0.52 0.46 1.15 1.05 -1.33 0.00 0.00 177.39 179.24 2kg5 h GLU 39 N 0.70 0.00 -0.04 3.23 -0.00 -1.78 -0.10 114.58 116.59 2kg5 h GLU 39 Ca -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.22 2kg5 h GLU 39 Cb 1.71 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.46 2kg5 h GLU 39 CO 0.07 0.00 0.08 -0.56 -0.00 0.00 0.00 179.01 178.60 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.91 0.27 115.11 117.60 2kg5 h GLN 40 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2kg5 h GLN 40 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.98 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 -3.45 0.00 0.28 0.06 4.01 -0.05 -3.25 117.16 114.76 2kg5 n TYR 41 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.88 2kg5 n TYR 41 Cb 0.17 -0.38 0.81 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 3.16 1.14 0.08 -0.72 0.00 -0.63 -3.01 119.26 119.29 2kg5 h ALA 42 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kg5 h ALA 42 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kg5 h ALA 42 CO 0.00 0.09 -0.04 0.22 0.00 0.00 0.00 179.25 179.52 2kg5 h ASP 43 N 0.00 -0.09 -0.83 0.00 3.58 -1.74 -0.86 116.42 116.48 2kg5 h ASP 43 Ca -0.00 0.00 0.23 0.00 0.42 0.00 0.00 57.03 57.68 2kg5 h ASP 43 Cb 0.33 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 2kg5 h ASP 43 CO 0.01 -0.06 0.59 0.00 -2.88 0.00 0.00 179.24 176.89 2kg5 h THR 44 N -0.12 0.62 0.23 2.25 1.03 -1.81 -1.14 112.91 113.96 2kg5 h THR 44 Ca -0.01 -0.04 -0.01 0.00 -0.01 0.00 0.00 66.41 66.34 2kg5 h THR 44 Cb 0.09 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 67.66 2kg5 h THR 44 CO 0.02 0.02 -0.11 -0.26 -0.01 0.00 0.00 175.52 175.18 2kg5 h PHE 45 N 0.11 -0.29 -0.94 0.00 -1.00 -1.41 -2.21 116.94 111.20 2kg5 h PHE 45 Ca 0.41 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.22 2kg5 h PHE 45 Cb 1.44 0.10 -0.05 0.00 3.61 0.00 0.00 35.95 41.04 2kg5 h PHE 45 CO -0.00 0.01 0.62 0.00 -1.61 0.00 0.00 178.31 177.32 2kg5 h ARG 46 N -0.58 1.15 0.00 1.51 3.08 0.03 0.40 114.38 119.97 2kg5 h ARG 46 Ca -0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2kg5 h ARG 46 Cb 0.42 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2kg5 h ARG 46 CO 0.05 0.76 0.00 -0.09 -1.07 0.00 0.00 179.97 179.62 2kg5 h ARG 47 N 1.18 0.00 -0.00 0.04 9.65 -1.25 -1.79 114.38 122.20 2kg5 h ARG 47 Ca 0.38 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 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 -0.12 0.00 -0.22 0.72 2.80 0.00 0.00 179.97 183.15 2kg5 n HIS 48 N -2.45 0.00 0.00 2.20 8.25 0.10 -4.90 115.22 118.42 2kg5 n HIS 48 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2kg5 n HIS 48 Cb 0.23 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2kg5 n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kg5 n GLY 49 N 1.35 1.03 2.53 -1.41 0.00 -0.67 -5.06 105.19 102.96 2kg5 n GLY 49 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 1.17 -0.03 0.99 2.34 -1.03 -4.95 118.68 117.17 2kg5 s LEU 50 Ca 0.00 -1.97 0.19 0.00 0.06 0.00 0.00 54.13 52.41 2kg5 s LEU 50 Cb 0.00 -0.50 0.59 0.00 -0.56 0.00 0.00 46.19 45.72 2kg5 s LEU 50 CO 0.00 -0.35 1.49 0.00 -1.06 0.00 0.00 176.35 176.43 2kg5 n ALA 51 N 4.35 2.59 -2.97 1.48 0.00 -1.26 -2.95 120.51 121.74 2kg5 n ALA 51 Ca 0.06 -1.21 -0.11 0.00 0.00 0.00 0.00 53.44 52.19 2kg5 n ALA 51 Cb 0.38 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.34 0.10 0.66 0.00 -4.23 -1.26 -0.02 115.64 109.56 2kg5 s THR 52 Ca 0.44 -0.83 0.44 0.00 -1.18 0.00 0.00 61.69 60.56 2kg5 s THR 52 Cb 0.24 -0.61 0.44 0.00 1.34 0.00 0.00 72.50 73.92 2kg5 s THR 52 CO 0.27 -0.46 2.36 0.00 -0.54 0.00 0.00 174.62 176.25 2kg5 h ALA 53 N 4.02 1.01 0.00 3.99 0.00 -1.58 0.36 119.26 127.06 2kg5 h ALA 53 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kg5 h ALA 53 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kg5 h ALA 53 CO 0.44 -0.01 -0.28 0.78 0.00 0.00 0.00 179.25 180.18 2kg5 h GLY 54 N 0.00 0.00 0.01 0.00 0.00 -1.81 -2.98 103.07 98.28 2kg5 h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kg5 h GLY 54 CO 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 176.04 2kg5 n ALA 55 N -1.93 3.60 0.48 3.60 0.00 0.10 -3.98 120.51 122.39 2kg5 n ALA 55 Ca 0.04 -0.49 0.05 0.00 0.00 0.00 0.00 53.44 53.03 2kg5 n ALA 55 Cb 0.47 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.79 3.13 -1.50 0.00 0.00 -1.14 -4.74 120.51 115.47 2kg5 n ALA 56 Ca 0.09 -0.35 -0.52 0.00 0.00 0.00 0.00 53.44 52.66 2kg5 n ALA 56 Cb 0.38 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2kg5 n ALA 56 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kg5 n ARG 57 N -0.83 1.15 0.00 0.00 1.85 -1.13 -1.64 116.66 116.06 2kg5 n ARG 57 Ca 0.03 0.35 0.00 0.00 -1.00 0.00 0.00 57.85 57.23 2kg5 n ARG 57 Cb 0.19 -2.40 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kg5 n GLY 58 N 6.06 1.11 3.57 2.89 0.00 -1.26 -5.09 105.19 112.46 2kg5 n GLY 58 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 2kg5 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kg5 n LEU 59 N 0.00 2.17 0.00 0.99 4.77 -0.65 -5.01 117.00 119.27 2kg5 n LEU 59 Ca 0.00 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2kg5 n LEU 59 Cb 0.00 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 2kg5 n LEU 59 CO 0.00 -1.87 0.00 0.61 -1.33 0.00 0.00 177.39 174.80 2kg5 n GLY 60 N 1.34 5.27 0.23 -0.72 0.00 -1.26 -5.01 105.19 105.05 2kg5 n GLY 60 Ca 0.10 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 2kg5 n GLY 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kg5 h HIS 61 N 0.62 -0.47 -0.01 1.61 3.86 -1.98 -2.24 115.15 116.53 2kg5 h HIS 61 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2kg5 h HIS 61 Cb 0.00 0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 2kg5 h HIS 61 CO 0.00 -0.26 0.06 1.05 0.86 0.00 0.00 177.93 179.64 2kg5 h GLU 62 N -1.11 0.00 0.16 2.45 9.09 -2.00 -0.81 114.58 122.35 2kg5 h GLU 62 Ca -0.05 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.07 2kg5 h GLU 62 Cb 0.43 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.54 2kg5 h GLU 62 CO 0.09 0.00 -1.30 0.93 0.05 0.00 0.00 179.01 178.78 2kg5 h GLU 63 N 0.00 0.38 -0.43 1.06 4.39 -1.95 -3.20 114.58 114.83 2kg5 h GLU 63 Ca 0.01 -0.63 -0.12 0.00 0.34 0.00 0.00 59.36 58.96 2kg5 h GLU 63 Cb 0.12 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2kg5 h GLU 63 CO -0.00 1.29 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.86 2kg5 h LEU 64 N 0.12 0.87 -0.78 1.33 3.38 -0.52 -1.01 115.31 118.69 2kg5 h LEU 64 Ca -0.17 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2kg5 h LEU 64 Cb 2.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 2kg5 h LEU 64 CO 0.23 1.05 0.47 0.11 0.09 0.00 0.00 178.44 180.39 2kg5 h LYS 65 N 0.75 1.06 0.00 1.13 1.57 -1.54 -1.53 116.57 118.01 2kg5 h LYS 65 Ca 0.10 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kg5 h LYS 65 Cb 0.75 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kg5 h LYS 65 CO 0.06 0.75 -0.12 0.94 -0.57 0.00 0.00 179.45 180.50 2kg5 n GLN 66 N -4.48 0.09 0.00 3.15 7.27 -1.15 -3.22 117.38 119.04 2kg5 n GLN 66 Ca 0.07 0.06 0.13 0.00 0.07 0.00 0.00 57.00 57.33 2kg5 n GLN 66 Cb 0.06 -1.59 0.59 0.00 2.41 0.00 0.00 30.24 31.71 2kg5 n GLN 66 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2kg5 n LEU 67 N -1.73 0.00 0.00 1.69 4.77 -0.40 -4.85 117.00 116.49 2kg5 n LEU 67 Ca 0.06 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2kg5 n LEU 67 Cb 0.37 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2kg5 n LEU 67 CO 0.30 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2kg5 n GLY 68 N 1.17 1.38 3.79 -0.72 0.00 -1.18 -5.01 105.19 104.63 2kg5 n GLY 68 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.35 4.31 0.00 -0.61 1.01 -0.96 -4.94 121.20 118.67 2kg5 s ILE 69 Ca 0.00 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.34 2kg5 s ILE 69 Cb 0.00 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.48 2kg5 s ILE 69 CO 0.00 0.22 0.73 -1.20 0.00 0.00 0.00 174.94 174.69 2kg5 n SER 70 N 0.76 -0.34 0.05 3.58 7.64 -1.26 -4.18 113.62 119.88 2kg5 n SER 70 Ca -0.00 -1.45 0.11 0.00 1.01 0.00 0.00 58.87 58.54 2kg5 n SER 70 Cb 0.50 0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg5 n ALA 71 N 0.02 2.60 0.00 -0.43 0.00 -1.26 -4.98 120.51 116.46 2kg5 n ALA 71 Ca -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2kg5 n ALA 71 Cb 0.60 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2kg5 n ALA 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kg5 n THR 72 N -2.52 0.00 0.04 0.00 -1.04 -1.26 -4.23 114.28 105.27 2kg5 n THR 72 Ca -0.02 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.19 2kg5 n THR 72 Cb 0.58 0.00 0.73 0.00 -1.82 0.00 0.00 70.33 69.81 2kg5 n THR 72 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2kg5 h GLY 73 N 0.00 0.00 0.98 3.41 0.00 -2.00 -0.93 103.07 104.54 2kg5 h GLY 73 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2kg5 h GLY 73 CO 0.00 0.00 -1.71 0.45 0.00 0.00 0.00 176.54 175.28 2kg5 h HIS 74 N 0.00 0.66 0.04 5.60 -0.00 -1.99 -3.23 115.15 116.22 2kg5 h HIS 74 Ca 0.23 -0.48 0.01 0.00 -0.00 0.00 0.00 60.37 60.13 2kg5 h HIS 74 Cb 1.02 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.38 2kg5 h HIS 74 CO 0.00 1.61 -0.09 -0.09 -0.00 0.00 0.00 177.93 179.37 2kg5 h ARG 75 N 0.10 -0.17 0.00 2.45 2.43 -1.53 -1.01 114.38 116.65 2kg5 h ARG 75 Ca -0.33 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2kg5 h ARG 75 Cb 2.08 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 2kg5 h ARG 75 CO 0.17 -0.11 0.00 0.87 -1.51 0.00 0.00 179.97 179.39 2kg5 h LYS 76 N -0.17 0.00 0.00 0.20 1.57 -1.49 -1.81 116.57 114.87 2kg5 h LYS 76 Ca 0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2kg5 h LYS 76 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2kg5 h LYS 76 CO -0.06 0.00 -0.54 -0.09 -0.57 0.00 0.00 179.45 178.18 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.21 -2.82 114.38 115.93 2kg5 h ARG 77 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2kg5 h ARG 77 Cb 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2kg5 h ARG 77 CO 0.00 0.54 -0.35 0.82 -1.51 0.00 0.00 179.97 179.47 2kg5 h ILE 78 N 0.00 0.53 -0.74 1.20 5.03 -0.97 -3.34 117.51 119.23 2kg5 h ILE 78 Ca -0.01 -1.48 0.13 0.00 -0.12 0.00 0.00 64.86 63.38 2kg5 h ILE 78 Cb 1.32 1.09 -0.05 0.00 -3.03 0.00 0.00 36.82 36.15 2kg5 h ILE 78 CO 0.07 0.18 0.49 -0.07 -0.68 0.00 0.00 178.15 178.14 2kg5 h LEU 79 N -1.00 0.43 -2.50 1.44 3.38 -1.65 0.28 115.31 115.70 2kg5 h LEU 79 Ca -0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kg5 h LEU 79 Cb 0.57 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kg5 h LEU 79 CO -0.04 0.24 -0.01 0.03 0.09 0.00 0.00 178.44 178.75 2kg5 h ARG 80 N 0.47 0.00 0.02 1.13 2.47 -1.65 -2.20 114.38 114.61 2kg5 h ARG 80 Ca 0.36 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.73 2kg5 h ARG 80 Cb 0.73 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.99 2kg5 h ARG 80 CO -0.12 0.01 -2.08 -0.11 0.56 0.00 0.00 179.97 178.24 2kg5 n LEU 81 N -3.22 0.99 -0.30 3.04 7.94 0.91 -4.06 117.00 122.31 2kg5 n LEU 81 Ca -0.02 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2kg5 n LEU 81 Cb 0.14 0.02 0.19 0.00 0.53 0.00 0.00 43.42 44.30 2kg5 n LEU 81 CO 0.23 0.55 1.26 0.25 -1.11 0.00 0.00 177.39 178.58 2kg5 h LEU 82 N 0.01 0.98 -0.01 -1.96 6.46 -0.70 -2.74 115.31 117.35 2kg5 h LEU 82 Ca -0.43 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2kg5 h LEU 82 Cb 2.09 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.78 2kg5 h LEU 82 CO 0.04 0.69 0.00 1.56 -0.62 0.00 0.00 178.44 180.12 2kg5 h GLN 83 N 1.15 0.02 -7.03 1.25 4.20 -1.68 -3.46 115.11 109.57 2kg5 h GLN 83 Ca 0.34 -0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.46 2kg5 h GLN 83 Cb -0.06 -0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.36 2kg5 h GLN 83 CO -0.09 0.26 -0.84 -2.37 -0.67 0.00 0.00 178.83 175.12 2kg5 n THR 84 N -4.96 -0.07 -2.70 -0.54 5.66 -1.04 -4.75 114.28 105.89 2kg5 n THR 84 Ca -0.08 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.86 2kg5 n THR 84 Cb 0.14 -0.55 0.10 0.00 -1.55 0.00 0.00 70.33 68.48 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 -0.52 1.35 1.09 0.00 -1.26 -4.96 105.19 99.84 2kg5 n GLY 85 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2kg5 n GLY 85 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kg5 n THR 86 N 0.52 0.00 -3.87 2.61 -2.24 -1.26 -5.17 114.28 104.87 2kg5 n THR 86 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2kg5 n THR 86 Cb 0.73 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 2kg5 n THR 86 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kg5 n GLU 87 N -2.18 0.21 0.00 -0.78 0.28 -1.26 -5.08 120.64 111.84 2kg5 n GLU 87 Ca 0.00 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.37 2kg5 n GLU 87 Cb 0.00 0.95 0.00 0.00 1.43 0.00 0.00 31.44 33.82 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 -0.53 0.00 0.00 3.44 0.28 -1.26 -5.05 120.64 117.51 2kg5 n GLU 88 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2kg5 n GLU 88 Cb 0.36 -0.14 0.00 0.00 1.43 0.00 0.00 31.44 33.10 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kg5 n GLY 89 N -0.57 -0.04 1.26 -1.84 0.00 -1.26 -4.77 105.19 97.96 2kg5 n GLY 89 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2kg5 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kg5 n SER 90 N -0.72 0.40 -2.48 1.61 7.64 -1.26 -5.13 113.62 113.68 2kg5 n SER 90 Ca 0.00 0.11 -0.05 0.00 1.01 0.00 0.00 58.87 59.94 2kg5 n SER 90 Cb 0.00 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.08 2kg5 n SER 90 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kg5 n LEU 91 N -3.19 -5.87 -3.29 -3.43 7.99 -1.26 -5.00 117.00 102.94 2kg5 n LEU 91 Ca 0.00 2.21 -0.25 0.00 -0.01 0.00 0.00 56.01 57.96 2kg5 n LEU 91 Cb 0.19 -3.12 -0.08 0.00 -0.11 0.00 0.00 43.42 40.31 2kg5 n LEU 91 CO 0.00 -3.66 -0.18 -0.90 -1.51 0.00 0.00 177.39 171.14 2kg5 n ASP 92 N 1.60 1.30 -0.06 -1.43 5.68 -1.26 -4.95 116.55 117.43 2kg5 n ASP 92 Ca -0.36 -2.92 -0.13 0.00 -0.50 0.00 0.00 54.79 50.88 2kg5 n ASP 92 Cb 0.56 -0.65 -0.07 0.00 -1.14 0.00 0.00 41.12 39.82 2kg5 n ASP 92 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2kg5 h PRO 93 N 4.18 0.39 -6.33 0.11 0.13 -2.05 -3.40 132.00 125.04 2kg5 h PRO 93 Ca 0.12 -0.21 -0.55 0.00 -0.87 0.00 0.00 66.00 64.49 2kg5 h PRO 93 Cb 0.81 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.86 2kg5 h PRO 93 CO 0.58 0.77 0.99 0.15 -0.23 0.00 0.00 178.00 180.25 2kg5 s LYS 94 N -4.31 3.26 -0.16 0.86 1.02 -1.26 -4.78 119.74 114.36 2kg5 s LYS 94 Ca -0.14 -0.18 -0.01 0.00 0.02 0.00 0.00 55.97 55.66 2kg5 s LYS 94 Cb 0.06 -4.14 -0.10 0.00 -0.52 0.00 0.00 37.83 33.12 2kg5 s LYS 94 CO 0.76 -2.01 -0.16 0.45 -0.92 0.00 0.00 175.35 173.47 2kg5 n SER 95 N 9.00 2.36 -4.77 2.83 2.88 -1.26 -5.03 113.62 119.63 2kg5 n SER 95 Ca 0.04 -0.01 -0.29 0.00 -1.33 0.00 0.00 58.87 57.27 2kg5 n SER 95 Cb 0.49 -0.32 0.13 0.00 -0.75 0.00 0.00 64.21 63.76 2kg5 n SER 95 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2kg5 s ASP 96 N -5.81 3.65 -0.03 -3.46 -4.77 -1.26 -5.04 116.67 99.95 2kg5 s ASP 96 Ca -0.22 1.11 -0.02 0.00 -3.30 0.00 0.00 52.55 50.11 2kg5 s ASP 96 Cb 0.07 -1.74 -0.01 0.00 -1.09 0.00 0.00 42.92 40.14 2kg5 s ASP 96 CO 0.35 -2.48 -0.04 -0.24 0.70 0.00 0.00 175.17 173.46 2kg5 n SER 97 N -3.74 0.37 -3.22 2.11 2.88 -1.26 -4.99 113.62 105.77 2kg5 n SER 97 Ca 0.06 0.25 -0.02 0.00 -1.33 0.00 0.00 58.87 57.84 2kg5 n SER 97 Cb 0.58 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 2kg5 n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 s ALA 98 N -2.96 -1.88 0.33 -1.46 0.00 -1.26 -5.14 121.76 109.39 2kg5 s ALA 98 Ca -0.04 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2kg5 s ALA 98 Cb 0.01 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.75 2kg5 s ALA 98 CO 0.06 -1.86 0.00 -1.33 0.00 0.00 0.00 175.76 172.63 2kg5 n MET 99 N 5.24 -2.73 0.00 0.00 2.81 -1.26 -5.31 117.12 115.86 2kg5 n MET 99 Ca 0.04 1.83 0.00 0.00 -1.81 0.00 0.00 57.70 57.77 2kg5 n MET 99 Cb 0.52 -3.32 0.00 0.00 -0.71 0.00 0.00 33.22 29.71 2kg5 n MET 99 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57