#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 -3.15 -1.23 -0.41 1.56 -1.26 -4.74 117.12 107.89 2kg5 n MET 21 Ca 0.00 0.81 0.16 0.00 -0.27 0.00 0.00 57.70 58.40 2kg5 n MET 21 Cb 0.00 -5.64 -0.06 0.00 2.15 0.00 0.00 33.22 29.66 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kg5 n ALA 22 N -3.55 -3.22 -1.54 -5.12 0.00 -1.26 -4.87 120.51 100.94 2kg5 n ALA 22 Ca -0.13 0.63 -0.31 0.00 0.00 0.00 0.00 53.44 53.63 2kg5 n ALA 22 Cb 0.63 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.88 2kg5 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 s ALA 23 N -3.23 2.63 0.54 0.00 0.00 -1.26 -5.02 121.76 115.42 2kg5 s ALA 23 Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.93 2kg5 s ALA 23 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 2kg5 s ALA 23 CO 0.00 -1.23 1.13 -1.25 0.00 0.00 0.00 175.76 174.41 2kg5 s PRO 24 N -4.85 3.37 0.35 0.00 0.04 -1.26 -4.95 135.00 127.70 2kg5 s PRO 24 Ca 0.59 1.62 0.09 0.00 0.04 0.00 0.00 61.00 63.34 2kg5 s PRO 24 Cb -0.15 -2.01 0.66 0.00 0.04 0.00 0.00 34.50 33.04 2kg5 s PRO 24 CO 0.52 -0.84 1.83 -0.56 0.04 0.00 0.00 177.00 177.99 2kg5 h GLN 25 N 1.22 0.19 -2.49 4.56 3.07 -1.96 -3.20 115.11 116.51 2kg5 h GLN 25 Ca -0.50 -0.06 -0.62 0.00 0.09 0.00 0.00 58.65 57.55 2kg5 h GLN 25 Cb 1.26 -0.02 -0.10 0.00 0.08 0.00 0.00 27.48 28.70 2kg5 h GLN 25 CO 0.57 0.46 1.95 -0.40 0.09 0.00 0.00 178.83 181.50 2kg5 n ASP 26 N -4.16 7.56 -4.18 0.06 5.75 -1.26 -3.34 116.55 116.99 2kg5 n ASP 26 Ca -0.01 -2.99 -0.34 0.00 -0.01 0.00 0.00 54.79 51.44 2kg5 n ASP 26 Cb 0.37 -1.37 -0.15 0.00 -1.03 0.00 0.00 41.12 38.93 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2kg5 s LEU 27 N -1.52 2.37 0.21 -2.12 2.96 -1.21 -5.05 118.68 114.31 2kg5 s LEU 27 Ca 0.59 -0.57 -0.31 0.00 -0.22 0.00 0.00 54.13 53.62 2kg5 s LEU 27 Cb 0.24 -1.56 -0.15 0.00 0.50 0.00 0.00 46.19 45.22 2kg5 s LEU 27 CO -0.11 -0.01 1.12 -0.67 -1.32 0.00 0.00 176.35 175.37 2kg5 n ASP 28 N 4.67 1.37 0.34 3.68 -0.08 -1.26 -1.82 116.55 123.45 2kg5 n ASP 28 Ca -0.20 1.15 0.22 0.00 -1.51 0.00 0.00 54.79 54.45 2kg5 n ASP 28 Cb 0.50 -1.24 1.20 0.00 2.34 0.00 0.00 41.12 43.92 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 2.47 0.01 0.02 5.18 6.09 -0.76 -0.78 117.51 129.74 2kg5 h ILE 29 Ca -0.42 0.00 -0.23 0.00 -1.37 0.00 0.00 64.86 62.84 2kg5 h ILE 29 Cb 1.34 0.98 0.00 0.00 0.47 0.00 0.00 36.82 39.61 2kg5 h ILE 29 CO 0.68 0.00 -0.97 0.00 -3.07 0.00 0.00 178.15 174.79 2kg5 h ALA 30 N 1.96 0.36 0.00 0.18 0.00 -1.84 -3.02 119.26 116.90 2kg5 h ALA 30 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 2kg5 h ALA 30 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kg5 h ALA 30 CO -0.00 0.85 -0.32 0.28 0.00 0.00 0.00 179.25 180.06 2kg5 h VAL 31 N 0.19 0.68 0.12 0.00 2.07 -1.49 -1.09 116.25 116.73 2kg5 h VAL 31 Ca -0.08 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2kg5 h VAL 31 Cb 1.61 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 2kg5 h VAL 31 CO 0.16 0.31 -0.06 -0.25 0.02 0.00 0.00 177.57 177.76 2kg5 h TRP 32 N 0.00 -0.14 0.00 1.57 7.01 -1.48 -3.27 115.95 119.64 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 0.95 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 28.06 2kg5 h TRP 32 CO 0.00 0.35 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.90 2kg5 h LEU 33 N -0.83 0.00 -2.48 0.65 3.38 -1.59 -2.99 115.31 111.45 2kg5 h LEU 33 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kg5 h LEU 33 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kg5 h LEU 33 CO 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 178.44 178.56 2kg5 h ALA 34 N 1.97 1.29 0.00 1.53 0.00 -1.24 -0.03 119.26 122.78 2kg5 h ALA 34 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kg5 h ALA 34 Cb 0.72 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2kg5 h ALA 34 CO 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 179.25 179.11 2kg5 h THR 35 N 0.00 0.62 -0.23 0.00 1.03 -1.61 -2.54 112.91 110.18 2kg5 h THR 35 Ca -0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.62 2kg5 h THR 35 Cb 0.09 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 2kg5 h THR 35 CO 0.00 0.17 0.00 1.33 -0.01 0.00 0.00 175.52 177.02 2kg5 n VAL 36 N -3.60 1.48 -3.28 0.00 0.24 -0.40 -4.97 118.33 107.79 2kg5 n VAL 36 Ca -0.01 -1.39 -0.17 0.00 -2.04 0.00 0.00 64.34 60.73 2kg5 n VAL 36 Cb 0.31 0.20 0.07 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.16 -2.09 -2.01 6.34 -0.00 -0.96 -4.92 115.22 111.43 2kg5 n HIS 37 Ca 0.13 0.79 0.02 0.00 -0.00 0.00 0.00 57.72 58.65 2kg5 n HIS 37 Cb 0.56 -4.31 0.02 0.00 -0.00 0.00 0.00 29.99 26.26 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 -3.86 0.43 0.24 0.27 4.77 -0.16 -4.84 117.00 113.85 2kg5 n LEU 38 Ca -0.08 -1.41 0.17 0.00 -0.03 0.00 0.00 56.01 54.66 2kg5 n LEU 38 Cb 0.58 -0.05 0.88 0.00 -2.33 0.00 0.00 43.42 42.51 2kg5 n LEU 38 CO 0.50 0.36 1.15 1.05 -1.33 0.00 0.00 177.39 179.12 2kg5 h GLU 39 N 0.20 0.00 -0.09 3.23 -0.00 -1.76 -0.20 114.58 115.96 2kg5 h GLU 39 Ca -0.04 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.34 2kg5 h GLU 39 Cb 1.45 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.20 2kg5 h GLU 39 CO 0.02 0.00 0.10 -0.56 -0.00 0.00 0.00 179.01 178.56 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.22 115.11 117.56 2kg5 h GLN 40 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 2kg5 h GLN 40 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 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 -3.87 0.00 0.29 0.06 4.01 -0.09 -3.17 117.16 114.39 2kg5 n TYR 41 Ca -0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.86 2kg5 n TYR 41 Cb 0.20 -0.35 0.83 0.00 -0.31 0.00 0.00 39.34 39.71 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 2.98 1.64 0.27 -0.72 0.00 -0.72 -2.70 119.26 120.00 2kg5 h ALA 42 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kg5 h ALA 42 Cb 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kg5 h ALA 42 CO 0.00 0.01 -0.16 0.22 0.00 0.00 0.00 179.25 179.32 2kg5 h ASP 43 N 0.00 -0.39 -0.59 0.00 3.58 -1.75 0.79 116.42 118.05 2kg5 h ASP 43 Ca -0.00 0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.59 2kg5 h ASP 43 Cb 0.02 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 2kg5 h ASP 43 CO 0.00 -0.25 0.40 0.00 -2.88 0.00 0.00 179.24 176.51 2kg5 h THR 44 N -0.40 0.83 0.24 2.25 1.03 -1.80 -1.73 112.91 113.33 2kg5 h THR 44 Ca -0.04 -0.10 -0.01 0.00 -0.01 0.00 0.00 66.41 66.26 2kg5 h THR 44 Cb 0.32 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 67.93 2kg5 h THR 44 CO 0.04 0.05 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.23 2kg5 h PHE 45 N 0.28 -0.30 -0.56 0.00 -1.00 -1.25 -2.21 116.94 111.90 2kg5 h PHE 45 Ca 0.28 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.09 2kg5 h PHE 45 Cb 0.71 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.33 2kg5 h PHE 45 CO -0.00 -0.03 0.32 0.00 -1.61 0.00 0.00 178.31 176.99 2kg5 h ARG 46 N -0.55 0.59 0.00 1.51 3.08 -0.19 0.19 114.38 119.02 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 0.41 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2kg5 h ARG 46 CO 0.05 0.39 0.00 -0.09 -1.07 0.00 0.00 179.97 179.26 2kg5 h ARG 47 N 0.61 0.00 -0.00 0.04 9.65 -1.30 -0.27 114.38 123.11 2kg5 h ARG 47 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2kg5 h ARG 47 Cb 0.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2kg5 h ARG 47 CO -0.14 0.00 -0.21 1.58 2.80 0.00 0.00 179.97 184.00 2kg5 n HIS 48 N -2.39 0.00 0.00 2.20 -0.00 0.03 -4.90 115.22 110.16 2kg5 n HIS 48 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kg5 n HIS 48 Cb 0.13 -0.23 0.00 0.00 -0.12 0.00 0.00 29.99 29.77 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 1.37 1.01 2.49 1.57 0.00 -0.11 -5.06 105.19 106.46 2kg5 n GLY 49 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 0.81 -0.06 0.99 2.34 -1.06 -4.94 118.68 116.77 2kg5 s LEU 50 Ca 0.00 -1.83 0.21 0.00 0.06 0.00 0.00 54.13 52.56 2kg5 s LEU 50 Cb 0.00 -0.38 0.69 0.00 -0.56 0.00 0.00 46.19 45.94 2kg5 s LEU 50 CO 0.00 -0.36 1.59 0.00 -1.06 0.00 0.00 176.35 176.52 2kg5 n ALA 51 N 4.52 2.73 -2.99 1.48 0.00 -1.26 -3.04 120.51 121.95 2kg5 n ALA 51 Ca 0.05 -1.45 -0.11 0.00 0.00 0.00 0.00 53.44 51.93 2kg5 n ALA 51 Cb 0.39 -0.97 -0.09 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 -1.41 0.10 0.59 0.00 -4.23 -1.26 -0.04 115.64 109.38 2kg5 s THR 52 Ca 0.51 -0.81 0.42 0.00 -1.18 0.00 0.00 61.69 60.63 2kg5 s THR 52 Cb 0.29 -0.61 0.43 0.00 1.34 0.00 0.00 72.50 73.95 2kg5 s THR 52 CO 0.29 -0.45 2.32 0.00 -0.54 0.00 0.00 174.62 176.25 2kg5 h ALA 53 N 3.99 1.03 0.00 3.99 0.00 -1.56 -0.60 119.26 126.12 2kg5 h ALA 53 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 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 0.00 -0.53 0.78 0.00 0.00 0.00 179.25 179.94 2kg5 h GLY 54 N 0.27 0.00 -0.78 0.00 0.00 -1.82 -2.95 103.07 97.80 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 -0.38 0.00 0.00 0.00 0.00 176.54 176.16 2kg5 n ALA 55 N -2.08 3.34 0.27 3.60 0.00 -0.27 -4.12 120.51 121.26 2kg5 n ALA 55 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 53.44 52.92 2kg5 n ALA 55 Cb 0.52 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.05 2.92 -1.48 0.00 0.00 -0.96 -4.68 120.51 116.26 2kg5 n ALA 56 Ca 0.11 -0.27 -0.44 0.00 0.00 0.00 0.00 53.44 52.83 2kg5 n ALA 56 Cb 0.45 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.52 0.74 0.00 0.00 1.85 -1.11 -1.60 116.66 115.02 2kg5 n ARG 57 Ca 0.00 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 2kg5 n ARG 57 Cb 0.21 -2.46 0.00 0.00 -1.05 0.00 0.00 32.46 29.16 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 6.40 1.11 3.57 2.89 0.00 -1.26 -5.08 105.19 112.83 2kg5 n GLY 58 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 2.13 0.00 0.99 4.77 -0.62 -5.01 117.00 119.26 2kg5 n LEU 59 Ca 0.00 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 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 -1.86 0.00 0.61 -1.33 0.00 0.00 177.39 174.81 2kg5 n GLY 60 N 1.34 4.15 0.15 -0.72 0.00 -1.26 -5.02 105.19 103.83 2kg5 n GLY 60 Ca 0.10 -2.18 -0.05 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 0.78 -0.27 -0.40 1.61 3.86 -1.98 -2.27 115.15 116.48 2kg5 h HIS 61 Ca 0.00 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.32 2kg5 h HIS 61 Cb 0.00 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2kg5 h HIS 61 CO 0.00 -0.15 0.37 1.49 0.86 0.00 0.00 177.93 180.49 2kg5 h GLU 62 N -1.07 0.00 0.09 2.45 4.81 -2.01 0.10 114.58 118.96 2kg5 h GLU 62 Ca -0.03 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.94 2kg5 h GLU 62 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2kg5 h GLU 62 CO 0.05 0.00 -1.15 1.49 -0.73 0.00 0.00 179.01 178.66 2kg5 h GLU 63 N 0.00 0.30 0.00 1.92 4.57 -1.97 -3.24 114.58 116.16 2kg5 h GLU 63 Ca 0.19 -0.45 -0.06 0.00 -1.18 0.00 0.00 59.36 57.85 2kg5 h GLU 63 Cb 0.92 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 2kg5 h GLU 63 CO -0.00 1.18 -0.31 -0.07 -1.18 0.00 0.00 179.01 178.63 2kg5 h LEU 64 N 0.11 0.00 -0.67 1.64 3.38 -0.19 -2.33 115.31 117.25 2kg5 h LEU 64 Ca -0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2kg5 h LEU 64 Cb 1.86 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2kg5 h LEU 64 CO 0.19 0.31 0.24 0.11 0.09 0.00 0.00 178.44 179.38 2kg5 h LYS 65 N 0.00 1.03 0.00 1.13 1.57 -1.43 -2.24 116.57 116.63 2kg5 h LYS 65 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2kg5 h LYS 65 Cb 0.62 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2kg5 h LYS 65 CO 0.04 0.88 -0.17 1.04 -0.57 0.00 0.00 179.45 180.67 2kg5 n GLN 66 N -4.36 0.11 0.23 3.15 6.02 -1.08 -3.40 117.38 118.04 2kg5 n GLN 66 Ca 0.05 0.07 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 2kg5 n GLN 66 Cb 0.20 -1.60 0.49 0.00 1.02 0.00 0.00 30.24 30.35 2kg5 n GLN 66 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2kg5 h LEU 67 N 0.00 0.00 0.00 1.08 3.38 -0.85 -3.46 115.31 115.46 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 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2kg5 h LEU 67 CO 0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2kg5 n GLY 68 N 0.18 1.38 3.29 0.83 0.00 -1.20 -4.91 105.19 104.76 2kg5 n GLY 68 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.67 4.53 -0.17 -0.61 1.01 -1.13 -4.89 121.20 118.26 2kg5 s ILE 69 Ca 0.00 -1.39 0.16 0.00 0.00 0.00 0.00 60.65 59.42 2kg5 s ILE 69 Cb 0.00 -3.80 0.38 0.00 0.01 0.00 0.00 42.46 39.06 2kg5 s ILE 69 CO 0.00 -0.59 1.25 -0.24 0.00 0.00 0.00 174.94 175.35 2kg5 n SER 70 N 5.01 2.51 0.05 3.58 2.88 -1.26 -4.42 113.62 121.96 2kg5 n SER 70 Ca -0.11 -3.31 0.06 0.00 -1.33 0.00 0.00 58.87 54.19 2kg5 n SER 70 Cb 0.43 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 n ALA 71 N -1.18 2.33 0.00 -1.46 0.00 -1.26 -4.98 120.51 113.97 2kg5 n ALA 71 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2kg5 n ALA 71 Cb 0.74 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.66 0.00 0.14 0.00 -1.04 -1.26 -4.22 114.28 105.23 2kg5 n THR 72 Ca -0.06 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.14 2kg5 n THR 72 Cb 0.68 0.00 0.78 0.00 -1.82 0.00 0.00 70.33 69.97 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 0.93 3.41 0.00 -1.99 -0.90 103.07 104.52 2kg5 h GLY 73 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2kg5 h GLY 73 CO 0.00 0.00 -1.73 0.45 0.00 0.00 0.00 176.54 175.26 2kg5 h HIS 74 N 0.00 0.74 0.10 5.60 -0.00 -1.99 -3.20 115.15 116.40 2kg5 h HIS 74 Ca 0.15 -0.54 0.01 0.00 -0.00 0.00 0.00 60.37 59.99 2kg5 h HIS 74 Cb 0.83 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.19 2kg5 h HIS 74 CO 0.00 1.67 -0.16 -0.09 -0.00 0.00 0.00 177.93 179.35 2kg5 h ARG 75 N 0.10 -0.31 0.00 2.45 2.43 -1.52 -0.84 114.38 116.68 2kg5 h ARG 75 Ca -0.34 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2kg5 h ARG 75 Cb 2.10 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 2kg5 h ARG 75 CO 0.18 -0.21 0.00 0.87 -1.51 0.00 0.00 179.97 179.30 2kg5 h LYS 76 N -0.33 0.00 0.00 0.20 1.57 -1.56 -1.61 116.57 114.84 2kg5 h LYS 76 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2kg5 h LYS 76 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2kg5 h LYS 76 CO -0.08 0.00 0.00 -0.09 -0.57 0.00 0.00 179.45 178.71 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.15 -2.94 114.38 115.87 2kg5 h ARG 77 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2kg5 h ARG 77 Cb 0.27 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2kg5 h ARG 77 CO 0.00 0.00 -1.08 -0.89 -1.51 0.00 0.00 179.97 176.49 2kg5 n ILE 78 N -3.10 1.49 -0.25 1.20 5.41 -0.63 -4.15 119.36 119.32 2kg5 n ILE 78 Ca 0.04 0.04 0.11 0.00 1.00 0.00 0.00 62.75 63.94 2kg5 n ILE 78 Cb 0.51 -2.18 0.37 0.00 -0.71 0.00 0.00 39.64 37.63 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 0.65 -2.73 1.39 3.38 -1.63 0.27 115.31 115.64 2kg5 h LEU 79 Ca -0.23 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2kg5 h LEU 79 Cb 1.01 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2kg5 h LEU 79 CO -0.14 0.35 -0.00 0.08 0.09 0.00 0.00 178.44 178.82 2kg5 h ARG 80 N 0.70 0.00 0.01 1.13 0.11 -1.71 -1.91 114.38 112.72 2kg5 h ARG 80 Ca 0.42 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 60.15 2kg5 h ARG 80 Cb 0.62 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.64 2kg5 h ARG 80 CO -0.18 0.00 -2.11 -0.11 0.10 0.00 0.00 179.97 177.67 2kg5 n LEU 81 N -3.18 0.91 -0.25 0.08 7.94 0.85 -4.09 117.00 119.25 2kg5 n LEU 81 Ca -0.03 0.16 -0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2kg5 n LEU 81 Cb 0.10 0.07 0.20 0.00 0.53 0.00 0.00 43.42 44.32 2kg5 n LEU 81 CO 0.22 0.54 1.24 0.25 -1.11 0.00 0.00 177.39 178.53 2kg5 h LEU 82 N 0.01 0.94 -0.01 -1.96 6.46 -0.48 -2.79 115.31 117.47 2kg5 h LEU 82 Ca -0.44 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2kg5 h LEU 82 Cb 2.10 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.80 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 1.10 0.02 -6.97 1.25 4.20 -1.66 -3.46 115.11 109.58 2kg5 h GLN 83 Ca 0.29 -0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.43 2kg5 h GLN 83 Cb -0.10 -0.00 -0.34 0.00 0.30 0.00 0.00 27.48 27.34 2kg5 h GLN 83 CO -0.06 0.24 -0.83 -2.37 -0.67 0.00 0.00 178.83 175.14 2kg5 n THR 84 N -4.97 -0.08 0.00 -0.54 5.66 -1.05 -4.45 114.28 108.84 2kg5 n THR 84 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2kg5 n THR 84 Cb 0.13 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 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 -0.44 0.29 1.09 0.00 -1.26 -4.75 105.19 99.08 2kg5 n GLY 85 Ca 0.11 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2kg5 n GLY 85 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kg5 h THR 86 N 0.00 0.70 -0.16 2.61 1.35 -1.96 -2.39 112.91 113.06 2kg5 h THR 86 Ca 0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.70 2kg5 h THR 86 Cb 0.00 0.98 -0.22 0.00 -1.73 0.00 0.00 68.15 67.18 2kg5 h THR 86 CO 0.00 0.00 -0.76 -1.84 -0.25 0.00 0.00 175.52 172.67 2kg5 n GLU 87 N -4.11 1.46 -1.69 4.72 0.28 -1.26 -5.07 120.64 114.97 2kg5 n GLU 87 Ca -0.02 -3.09 -0.52 0.00 -0.16 0.00 0.00 57.16 53.37 2kg5 n GLU 87 Cb 0.12 -1.26 -0.06 0.00 1.43 0.00 0.00 31.44 31.68 2kg5 n GLU 87 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2kg5 n GLU 88 N -0.54 1.72 0.00 3.44 2.13 -0.90 -4.64 120.64 121.84 2kg5 n GLU 88 Ca 0.18 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2kg5 n GLU 88 Cb 0.87 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 30.18 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kg5 n GLY 89 N 4.29 2.33 2.71 8.31 0.00 -1.26 -4.91 105.19 116.66 2kg5 n GLY 89 Ca 0.24 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 2kg5 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kg5 n SER 90 N 0.00 5.23 -2.61 1.61 2.88 -1.26 -4.81 113.62 114.66 2kg5 n SER 90 Ca 0.00 -3.72 -0.29 0.00 -1.33 0.00 0.00 58.87 53.53 2kg5 n SER 90 Cb 0.00 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2kg5 n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 n LEU 91 N -0.36 5.22 -4.41 2.46 -0.00 -1.26 -5.03 117.00 113.62 2kg5 n LEU 91 Ca 0.39 -5.19 -0.21 0.00 -0.00 0.00 0.00 56.01 50.99 2kg5 n LEU 91 Cb 0.47 -0.58 -0.10 0.00 -0.00 0.00 0.00 43.42 43.21 2kg5 n LEU 91 CO 0.37 2.16 -0.46 1.51 -0.00 0.00 0.00 177.39 180.98 2kg5 s ASP 92 N -3.08 3.11 1.25 1.45 1.47 -1.26 -5.15 116.67 114.46 2kg5 s ASP 92 Ca 0.49 -1.03 -0.21 0.00 1.18 0.00 0.00 52.55 52.98 2kg5 s ASP 92 Cb 0.39 -0.22 0.31 0.00 -0.34 0.00 0.00 42.92 43.06 2kg5 s ASP 92 CO -0.22 -0.06 1.11 -2.16 0.68 0.00 0.00 175.17 174.52 2kg5 s PRO 93 N -3.57 -1.58 -0.11 2.11 0.04 -1.26 -5.03 135.00 125.60 2kg5 s PRO 93 Ca 0.27 -0.19 0.10 0.00 0.04 0.00 0.00 61.00 61.21 2kg5 s PRO 93 Cb -0.03 -1.57 0.22 0.00 0.04 0.00 0.00 34.50 33.17 2kg5 s PRO 93 CO 0.11 -3.92 1.17 1.17 0.04 0.00 0.00 177.00 175.57 2kg5 n LYS 94 N -4.89 0.49 -0.04 4.56 4.81 -1.26 -4.98 118.16 116.84 2kg5 n LYS 94 Ca 0.15 -1.47 -0.01 0.00 -0.87 0.00 0.00 58.31 56.11 2kg5 n LYS 94 Cb 0.60 0.20 -0.00 0.00 0.02 0.00 0.00 35.03 35.84 2kg5 n LYS 94 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2kg5 h SER 95 N 0.66 0.00 -0.42 3.14 0.02 -2.09 -3.50 113.55 111.37 2kg5 h SER 95 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2kg5 h SER 95 Cb 1.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2kg5 h SER 95 CO -0.15 0.43 0.00 -0.90 -1.14 0.00 0.00 176.83 175.07 2kg5 n ASP 96 N -4.03 -2.56 0.10 3.07 5.75 -1.26 -4.99 116.55 112.62 2kg5 n ASP 96 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 2kg5 n ASP 96 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2kg5 n ASP 96 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2kg5 n SER 97 N -3.57 -1.72 0.11 -1.12 2.88 -1.26 -5.07 113.62 103.88 2kg5 n SER 97 Ca 0.00 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2kg5 n SER 97 Cb 0.00 1.82 0.00 0.00 -0.75 0.00 0.00 64.21 65.28 2kg5 n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kg5 n ALA 98 N -2.83 0.00 -1.29 -1.46 0.00 -1.26 -5.17 120.51 108.50 2kg5 n ALA 98 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2kg5 n ALA 98 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2kg5 n ALA 98 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2kg5 n MET 99 N -2.95 -2.52 0.00 0.00 2.81 -1.26 -5.33 117.12 107.86 2kg5 n MET 99 Ca 0.00 1.66 0.00 0.00 -1.81 0.00 0.00 57.70 57.55 2kg5 n MET 99 Cb 0.00 -3.07 0.00 0.00 -0.71 0.00 0.00 33.22 29.44 2kg5 n MET 99 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57