#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 -2.04 -2.49 -1.40 0.00 -1.26 -4.99 117.12 104.94 2kg5 n MET 21 Ca 0.00 1.89 -0.18 0.00 -0.00 0.00 0.00 57.70 59.42 2kg5 n MET 21 Cb 0.00 -5.11 0.02 0.00 0.00 0.00 0.00 33.22 28.13 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg5 n ALA 22 N -0.35 4.25 -3.08 -5.12 0.00 -1.26 -5.06 120.51 109.88 2kg5 n ALA 22 Ca 0.10 -3.67 -0.11 0.00 0.00 0.00 0.00 53.44 49.77 2kg5 n ALA 22 Cb 0.40 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.47 -1.03 -0.18 0.00 0.00 -1.26 -5.08 121.76 110.73 2kg5 s ALA 23 Ca 0.40 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 2kg5 s ALA 23 Cb 0.41 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 24.14 2kg5 s ALA 23 CO -0.06 -0.62 1.58 -1.25 0.00 0.00 0.00 175.76 175.41 2kg5 s PRO 24 N -3.54 3.92 0.40 0.00 0.04 -1.26 -4.89 135.00 129.67 2kg5 s PRO 24 Ca 0.01 1.76 0.10 0.00 0.04 0.00 0.00 61.00 62.91 2kg5 s PRO 24 Cb 0.01 -3.99 0.84 0.00 0.04 0.00 0.00 34.50 31.39 2kg5 s PRO 24 CO -0.10 -1.14 1.96 -0.56 0.04 0.00 0.00 177.00 177.20 2kg5 h GLN 25 N 10.18 0.27 -2.27 4.56 3.07 -1.98 -3.07 115.11 125.87 2kg5 h GLN 25 Ca -0.34 -0.05 -0.78 0.00 0.09 0.00 0.00 58.65 57.57 2kg5 h GLN 25 Cb 1.15 -0.04 -0.24 0.00 0.08 0.00 0.00 27.48 28.43 2kg5 h GLN 25 CO 0.99 0.34 1.26 -0.40 0.09 0.00 0.00 178.83 181.11 2kg5 n ASP 26 N -4.33 7.48 -4.11 0.06 5.75 -1.26 -3.56 116.55 116.56 2kg5 n ASP 26 Ca -0.00 -3.60 -0.32 0.00 -0.01 0.00 0.00 54.79 50.86 2kg5 n ASP 26 Cb 0.22 -1.19 -0.16 0.00 -1.03 0.00 0.00 41.12 38.95 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 -3.84 2.03 0.20 -2.12 2.96 -1.16 -5.06 118.68 111.70 2kg5 s LEU 27 Ca 0.44 -0.60 -0.32 0.00 -0.22 0.00 0.00 54.13 53.44 2kg5 s LEU 27 Cb 0.23 -1.40 -0.15 0.00 0.50 0.00 0.00 46.19 45.37 2kg5 s LEU 27 CO -0.17 0.01 1.17 -0.67 -1.32 0.00 0.00 176.35 175.37 2kg5 n ASP 28 N 4.47 1.52 0.33 3.68 -0.08 -1.26 -2.02 116.55 123.18 2kg5 n ASP 28 Ca -0.20 1.15 0.21 0.00 -1.51 0.00 0.00 54.79 54.44 2kg5 n ASP 28 Cb 0.50 -1.26 1.14 0.00 2.34 0.00 0.00 41.12 43.85 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 2.59 0.09 0.00 5.18 6.09 -0.72 -0.78 117.51 129.97 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 1.33 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.59 2kg5 h ILE 29 CO 0.69 0.00 -0.94 0.00 -3.07 0.00 0.00 178.15 174.83 2kg5 h ALA 30 N 1.93 0.37 0.00 0.18 0.00 -1.85 -2.98 119.26 116.92 2kg5 h ALA 30 Ca 0.00 -0.71 -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 17.83 2kg5 h ALA 30 CO -0.00 0.82 -0.32 0.28 0.00 0.00 0.00 179.25 180.03 2kg5 h VAL 31 N 0.22 0.68 0.08 0.00 2.07 -1.49 -0.93 116.25 116.88 2kg5 h VAL 31 Ca -0.08 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2kg5 h VAL 31 Cb 1.57 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 2kg5 h VAL 31 CO 0.16 0.31 -0.04 -0.25 0.02 0.00 0.00 177.57 177.78 2kg5 h TRP 32 N 0.00 -0.10 0.00 1.57 7.01 -1.47 -3.27 115.95 119.70 2kg5 h TRP 32 Ca -0.00 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 2kg5 h TRP 32 Cb 0.95 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.05 2kg5 h TRP 32 CO 0.00 0.45 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.02 2kg5 h LEU 33 N -0.79 0.00 -2.11 0.65 3.38 -1.58 -3.06 115.31 111.80 2kg5 h LEU 33 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2kg5 h LEU 33 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2kg5 h LEU 33 CO 0.02 0.01 -0.07 0.00 0.09 0.00 0.00 178.44 178.49 2kg5 h ALA 34 N 1.99 1.51 0.00 1.53 0.00 -1.21 0.08 119.26 123.15 2kg5 h ALA 34 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kg5 h ALA 34 Cb 0.76 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kg5 h ALA 34 CO 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 179.25 179.23 2kg5 h THR 35 N 0.00 0.40 -0.27 0.00 1.03 -1.60 -2.33 112.91 110.14 2kg5 h THR 35 Ca -0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 66.41 65.80 2kg5 h THR 35 Cb 0.16 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 2kg5 h THR 35 CO 0.01 0.11 0.00 1.33 -0.01 0.00 0.00 175.52 176.95 2kg5 n VAL 36 N -3.43 1.33 -3.29 0.00 0.24 -0.48 -4.97 118.33 107.73 2kg5 n VAL 36 Ca -0.01 -1.25 -0.17 0.00 -2.04 0.00 0.00 64.34 60.87 2kg5 n VAL 36 Cb 0.27 0.30 0.07 0.00 -1.47 0.00 0.00 33.84 33.01 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 0.09 -2.10 -2.27 6.34 -0.00 -0.88 -4.92 115.22 111.48 2kg5 n HIS 37 Ca 0.13 0.79 0.02 0.00 -0.00 0.00 0.00 57.72 58.66 2kg5 n HIS 37 Cb 0.52 -4.35 0.01 0.00 -0.00 0.00 0.00 29.99 26.17 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 -3.88 0.49 0.27 0.27 4.77 -0.11 -4.87 117.00 113.94 2kg5 n LEU 38 Ca -0.09 -1.60 0.18 0.00 -0.03 0.00 0.00 56.01 54.47 2kg5 n LEU 38 Cb 0.58 0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.61 2kg5 n LEU 38 CO 0.51 0.48 1.15 1.05 -1.33 0.00 0.00 177.39 179.25 2kg5 h GLU 39 N 0.54 0.00 -0.10 3.23 4.11 -1.77 -0.43 114.58 120.17 2kg5 h GLU 39 Ca -0.16 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.30 2kg5 h GLU 39 Cb 1.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 2kg5 h GLU 39 CO 0.04 0.00 0.11 -0.56 0.07 0.00 0.00 179.01 178.67 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.25 115.11 117.58 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 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 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 -3.85 0.00 0.28 0.06 4.01 -0.17 -3.00 117.16 114.49 2kg5 n TYR 41 Ca -0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 2kg5 n TYR 41 Cb 0.22 -0.41 0.82 0.00 -0.31 0.00 0.00 39.34 39.66 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 2.90 1.13 0.14 -0.72 0.00 -0.67 -3.02 119.26 119.02 2kg5 h ALA 42 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kg5 h ALA 42 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kg5 h ALA 42 CO 0.00 0.08 -0.07 0.22 0.00 0.00 0.00 179.25 179.48 2kg5 h ASP 43 N 0.00 -0.16 -0.73 0.00 3.58 -1.72 -0.40 116.42 116.98 2kg5 h ASP 43 Ca -0.00 0.01 0.19 0.00 0.42 0.00 0.00 57.03 57.65 2kg5 h ASP 43 Cb 0.33 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 2kg5 h ASP 43 CO 0.01 -0.11 0.52 0.00 -2.88 0.00 0.00 179.24 176.77 2kg5 h THR 44 N -0.20 0.68 0.25 2.25 1.03 -1.81 -1.47 112.91 113.63 2kg5 h THR 44 Ca -0.02 -0.04 -0.01 0.00 -0.01 0.00 0.00 66.41 66.33 2kg5 h THR 44 Cb 0.15 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 67.78 2kg5 h THR 44 CO 0.03 0.02 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.19 2kg5 h PHE 45 N 0.12 -0.31 -0.88 0.00 -1.00 -1.39 -1.78 116.94 111.70 2kg5 h PHE 45 Ca 0.36 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.18 2kg5 h PHE 45 Cb 1.24 0.10 -0.06 0.00 3.61 0.00 0.00 35.95 40.84 2kg5 h PHE 45 CO -0.00 -0.01 0.56 0.00 -1.61 0.00 0.00 178.31 177.26 2kg5 h ARG 46 N -0.61 1.02 0.00 1.51 3.08 -0.08 0.76 114.38 120.07 2kg5 h ARG 46 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2kg5 h ARG 46 Cb 0.44 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2kg5 h ARG 46 CO 0.06 0.67 0.00 -2.13 -1.07 0.00 0.00 179.97 177.50 2kg5 n ARG 47 N -4.57 0.18 0.00 0.04 3.00 -0.73 -1.87 116.66 112.71 2kg5 n ARG 47 Ca 0.12 0.40 0.13 0.00 -0.00 0.00 0.00 57.85 58.49 2kg5 n ARG 47 Cb 0.14 -1.84 0.35 0.00 0.00 0.00 0.00 32.46 31.12 2kg5 n ARG 47 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2kg5 n HIS 48 N -2.18 0.00 0.00 -0.14 8.25 0.21 -4.91 115.22 116.45 2kg5 n HIS 48 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2kg5 n HIS 48 Cb 0.24 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 1.44 1.14 2.49 -1.41 0.00 -0.78 -5.07 105.19 103.00 2kg5 n GLY 49 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 0.84 -0.05 0.99 2.34 -0.88 -4.92 118.68 117.00 2kg5 s LEU 50 Ca 0.00 -1.89 0.21 0.00 0.06 0.00 0.00 54.13 52.51 2kg5 s LEU 50 Cb 0.00 -0.38 0.68 0.00 -0.56 0.00 0.00 46.19 45.93 2kg5 s LEU 50 CO 0.00 -0.35 1.58 0.00 -1.06 0.00 0.00 176.35 176.52 2kg5 n ALA 51 N 4.44 2.67 -2.96 1.48 0.00 -1.26 -2.83 120.51 122.05 2kg5 n ALA 51 Ca 0.06 -1.40 -0.11 0.00 0.00 0.00 0.00 53.44 51.99 2kg5 n ALA 51 Cb 0.39 -0.98 -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 -1.35 0.10 0.27 0.00 -4.23 -1.26 0.01 115.64 109.17 2kg5 s THR 52 Ca 0.50 -0.82 0.35 0.00 -1.18 0.00 0.00 61.69 60.54 2kg5 s THR 52 Cb 0.29 -0.69 0.35 0.00 1.34 0.00 0.00 72.50 73.79 2kg5 s THR 52 CO 0.30 -0.45 2.07 0.00 -0.54 0.00 0.00 174.62 175.99 2kg5 h ALA 53 N 3.85 1.00 0.00 3.99 0.00 -1.64 -1.30 119.26 125.16 2kg5 h ALA 53 Ca -0.31 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 2kg5 h ALA 53 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2kg5 h ALA 53 CO 0.45 0.00 -1.25 0.78 0.00 0.00 0.00 179.25 179.23 2kg5 h GLY 54 N 0.27 0.00 1.75 0.00 0.00 -1.80 -2.86 103.07 100.43 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 -0.21 0.00 0.00 0.00 0.00 176.54 176.33 2kg5 h ALA 55 N 1.12 0.88 0.00 3.60 0.00 -1.52 -3.22 119.26 120.12 2kg5 h ALA 55 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kg5 h ALA 55 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2kg5 h ALA 55 CO 0.09 0.00 -1.00 0.00 0.00 0.00 0.00 179.25 178.35 2kg5 n ALA 56 N -1.94 4.63 -1.46 0.00 0.00 -1.00 -4.80 120.51 115.94 2kg5 n ALA 56 Ca 0.04 -0.58 -0.47 0.00 0.00 0.00 0.00 53.44 52.43 2kg5 n ALA 56 Cb 0.48 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 2kg5 n ALA 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kg5 n ARG 57 N -1.50 0.87 0.00 0.00 1.74 -1.08 -1.62 116.66 115.06 2kg5 n ARG 57 Ca 0.04 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2kg5 n ARG 57 Cb 0.33 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kg5 n GLY 58 N 6.50 1.30 3.60 -0.13 0.00 -1.26 -5.07 105.19 110.12 2kg5 n GLY 58 Ca 0.45 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 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 2.52 0.00 0.99 4.77 -0.64 -5.01 117.00 119.64 2kg5 n LEU 59 Ca 0.00 0.98 -0.02 0.00 -0.03 0.00 0.00 56.01 56.94 2kg5 n LEU 59 Cb 0.00 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 39.75 2kg5 n LEU 59 CO 0.00 -1.68 -0.02 0.61 -1.33 0.00 0.00 177.39 174.97 2kg5 n GLY 60 N 1.26 4.14 0.32 -0.72 0.00 -1.26 -5.01 105.19 103.92 2kg5 n GLY 60 Ca 0.10 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 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 1.02 -0.70 -0.13 1.61 3.86 -1.98 -1.24 115.15 117.60 2kg5 h HIS 61 Ca -0.03 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2kg5 h HIS 61 Cb 0.10 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2kg5 h HIS 61 CO 0.00 -0.39 0.19 0.93 0.86 0.00 0.00 177.93 179.52 2kg5 h GLU 62 N -1.13 0.00 0.16 2.45 4.39 -2.00 -0.16 114.58 118.29 2kg5 h GLU 62 Ca -0.08 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.33 2kg5 h GLU 62 Cb 0.62 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2kg5 h GLU 62 CO 0.13 0.00 -1.30 0.93 -1.16 0.00 0.00 179.01 177.61 2kg5 h GLU 63 N 0.00 0.40 -0.28 2.33 4.39 -1.93 -3.17 114.58 116.32 2kg5 h GLU 63 Ca 0.06 -0.64 -0.13 0.00 0.34 0.00 0.00 59.36 58.99 2kg5 h GLU 63 Cb 0.43 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2kg5 h GLU 63 CO -0.00 1.30 -0.36 -0.07 -1.16 0.00 0.00 179.01 178.72 2kg5 h LEU 64 N 0.13 0.65 -0.88 1.33 3.38 0.19 0.06 115.31 120.17 2kg5 h LEU 64 Ca -0.17 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 2kg5 h LEU 64 Cb 2.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 2kg5 h LEU 64 CO 0.23 0.95 0.20 0.11 0.09 0.00 0.00 178.44 180.02 2kg5 h LYS 65 N 0.52 1.02 0.00 1.13 1.57 -1.42 -2.26 116.57 117.13 2kg5 h LYS 65 Ca 0.05 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2kg5 h LYS 65 Cb 0.86 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2kg5 h LYS 65 CO 0.07 0.88 -0.42 1.04 -0.57 0.00 0.00 179.45 180.46 2kg5 n GLN 66 N -4.26 0.10 0.24 3.15 6.02 -1.14 -3.65 117.38 117.84 2kg5 n GLN 66 Ca 0.05 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.21 2kg5 n GLN 66 Cb 0.22 -1.57 0.47 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.39 -3.46 115.31 115.92 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 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 2kg5 n GLY 68 N 0.31 1.19 3.43 0.83 0.00 -1.19 -5.05 105.19 104.72 2kg5 n GLY 68 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.52 4.62 -0.10 -0.61 1.01 -1.05 -4.93 121.20 118.63 2kg5 s ILE 69 Ca 0.00 -0.46 0.19 0.00 0.00 0.00 0.00 60.65 60.38 2kg5 s ILE 69 Cb 0.00 -3.38 -0.28 0.00 0.01 0.00 0.00 42.46 38.80 2kg5 s ILE 69 CO 0.00 0.03 0.28 -1.20 0.00 0.00 0.00 174.94 174.05 2kg5 n SER 70 N 4.99 0.27 -4.56 3.58 7.64 -1.26 -4.35 113.62 119.93 2kg5 n SER 70 Ca -0.14 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.48 2kg5 n SER 70 Cb 0.49 1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 65.15 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg5 s ALA 71 N -3.00 1.56 0.26 -0.43 0.00 -1.26 -4.81 121.76 114.08 2kg5 s ALA 71 Ca -0.08 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 2kg5 s ALA 71 Cb 0.10 -4.50 0.54 0.00 0.00 0.00 0.00 23.12 19.26 2kg5 s ALA 71 CO 0.83 -4.85 1.74 0.00 0.00 0.00 0.00 175.76 173.48 2kg5 h THR 72 N 7.31 0.68 0.00 0.00 1.03 -2.00 0.30 112.91 120.22 2kg5 h THR 72 Ca -0.01 -0.19 -0.04 0.00 -0.01 0.00 0.00 66.41 66.17 2kg5 h THR 72 Cb 1.05 0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 68.21 2kg5 h THR 72 CO 1.17 0.10 -0.18 1.23 -0.01 0.00 0.00 175.52 177.83 2kg5 h GLY 73 N 0.55 0.00 0.97 2.99 0.00 -2.00 -2.62 103.07 102.95 2kg5 h GLY 73 Ca 0.46 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.45 2kg5 h GLY 73 CO -0.40 0.00 -1.68 0.45 0.00 0.00 0.00 176.54 174.92 2kg5 h HIS 74 N 0.00 0.77 0.18 5.60 -0.00 -0.96 -3.17 115.15 117.57 2kg5 h HIS 74 Ca -0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 2kg5 h HIS 74 Cb 0.45 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 2kg5 h HIS 74 CO 0.00 1.65 -0.16 -0.09 -0.00 0.00 0.00 177.93 179.33 2kg5 h ARG 75 N 0.10 -0.35 0.00 2.45 2.43 -0.54 -1.21 114.38 117.26 2kg5 h ARG 75 Ca -0.32 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2kg5 h ARG 75 Cb 2.10 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.73 2kg5 h ARG 75 CO 0.19 -0.23 0.00 0.87 -1.51 0.00 0.00 179.97 179.29 2kg5 h LYS 76 N -0.36 0.00 0.00 0.20 1.57 -1.63 -1.65 116.57 114.69 2kg5 h LYS 76 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2kg5 h LYS 76 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2kg5 h LYS 76 CO -0.03 0.00 -0.34 -0.09 -0.57 0.00 0.00 179.45 178.42 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.20 -2.89 114.38 115.87 2kg5 h ARG 77 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2kg5 h ARG 77 Cb 0.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2kg5 h ARG 77 CO 0.00 0.34 -0.84 0.82 -1.51 0.00 0.00 179.97 178.78 2kg5 h ILE 78 N 0.00 0.69 -0.77 1.20 2.04 -0.88 -3.36 117.51 116.44 2kg5 h ILE 78 Ca -0.00 -1.79 0.12 0.00 1.00 0.00 0.00 64.86 64.19 2kg5 h ILE 78 Cb 1.16 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 2kg5 h ILE 78 CO 0.04 0.23 0.51 -0.07 0.00 0.00 0.00 178.15 178.86 2kg5 h LEU 79 N -1.00 0.51 -2.58 1.44 3.38 -1.62 0.27 115.31 115.72 2kg5 h LEU 79 Ca -0.19 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kg5 h LEU 79 Cb 0.96 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2kg5 h LEU 79 CO -0.12 0.28 -0.01 -0.09 0.09 0.00 0.00 178.44 178.60 2kg5 h ARG 80 N 0.56 0.00 0.01 1.13 1.12 -1.67 -2.14 114.38 113.38 2kg5 h ARG 80 Ca 0.37 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.89 2kg5 h ARG 80 Cb 0.66 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.56 2kg5 h ARG 80 CO -0.13 0.01 -2.13 -0.11 -3.11 0.00 0.00 179.97 174.49 2kg5 n LEU 81 N -3.20 0.91 -0.26 3.80 7.94 0.86 -4.12 117.00 122.93 2kg5 n LEU 81 Ca -0.02 0.14 -0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2kg5 n LEU 81 Cb 0.13 0.06 0.21 0.00 0.53 0.00 0.00 43.42 44.35 2kg5 n LEU 81 CO 0.23 0.55 1.26 0.25 -1.11 0.00 0.00 177.39 178.56 2kg5 h LEU 82 N 0.01 0.94 -0.03 -1.96 6.46 -0.63 -2.74 115.31 117.35 2kg5 h LEU 82 Ca -0.45 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2kg5 h LEU 82 Cb 2.11 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 41.80 2kg5 h LEU 82 CO 0.04 0.68 0.01 1.56 -0.62 0.00 0.00 178.44 180.11 2kg5 h GLN 83 N 1.11 0.05 -7.05 1.25 4.20 -1.67 -3.46 115.11 109.54 2kg5 h GLN 83 Ca 0.30 -0.01 -0.59 0.00 0.06 0.00 0.00 58.65 58.41 2kg5 h GLN 83 Cb -0.12 -0.01 -0.36 0.00 0.30 0.00 0.00 27.48 27.29 2kg5 h GLN 83 CO -0.07 0.25 -0.85 -2.37 -0.67 0.00 0.00 178.83 175.12 2kg5 n THR 84 N -4.96 -0.06 -0.27 -0.54 5.66 -1.04 -4.59 114.28 108.48 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 -0.55 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 -1.05 -0.54 4.16 1.09 0.00 -1.26 -4.95 105.19 102.64 2kg5 n GLY 85 Ca 0.11 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 2kg5 n GLY 85 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kg5 n THR 86 N 7.52 -0.13 0.07 2.61 5.66 -1.26 -4.78 114.28 123.96 2kg5 n THR 86 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2kg5 n THR 86 Cb 0.00 -0.58 -0.13 0.00 -1.55 0.00 0.00 70.33 68.07 2kg5 n THR 86 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2kg5 h GLU 87 N -0.80 0.08 0.00 1.09 4.11 -1.96 -3.50 114.58 113.61 2kg5 h GLU 87 Ca -0.50 -0.13 0.10 0.00 0.07 0.00 0.00 59.36 58.90 2kg5 h GLU 87 Cb 1.33 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 2kg5 h GLU 87 CO 0.74 1.03 -0.14 -1.91 0.07 0.00 0.00 179.01 178.80 2kg5 n GLU 88 N -3.38 -0.76 0.00 1.06 2.13 -1.26 -4.99 120.64 113.44 2kg5 n GLU 88 Ca -0.04 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2kg5 n GLU 88 Cb 0.97 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 31.76 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 -1.15 -1.35 2.47 8.31 0.00 -1.26 -5.10 105.19 107.11 2kg5 n GLY 89 Ca 0.00 0.45 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 2.73 -4.54 1.61 7.64 -1.26 -5.08 113.62 114.72 2kg5 n SER 90 Ca 0.00 -3.28 -0.32 0.00 1.01 0.00 0.00 58.87 56.28 2kg5 n SER 90 Cb 0.00 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.46 2kg5 n SER 90 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kg5 s LEU 91 N -2.44 2.97 -0.44 -3.43 1.02 -1.26 -5.07 118.68 110.03 2kg5 s LEU 91 Ca 0.41 -0.22 0.07 0.00 0.02 0.00 0.00 54.13 54.41 2kg5 s LEU 91 Cb 0.22 -1.70 0.23 0.00 0.02 0.00 0.00 46.19 44.95 2kg5 s LEU 91 CO -0.08 0.29 0.50 -0.67 0.02 0.00 0.00 176.35 176.41 2kg5 n ASP 92 N 1.67 0.53 -4.73 2.29 2.03 -1.26 -5.11 116.55 111.97 2kg5 n ASP 92 Ca -0.16 -2.72 -0.42 0.00 0.52 0.00 0.00 54.79 52.01 2kg5 n ASP 92 Cb 0.52 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.27 2kg5 n ASP 92 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2kg5 s PRO 93 N -1.06 4.37 -0.16 -0.67 0.04 -1.26 -4.91 135.00 131.35 2kg5 s PRO 93 Ca 0.35 2.04 0.12 0.00 0.04 0.00 0.00 61.00 63.55 2kg5 s PRO 93 Cb 0.13 -3.22 0.29 0.00 0.04 0.00 0.00 34.50 31.74 2kg5 s PRO 93 CO -0.12 -0.31 1.23 1.17 0.04 0.00 0.00 177.00 179.01 2kg5 n LYS 94 N 3.15 0.75 -1.41 4.56 4.81 -1.26 -5.01 118.16 123.76 2kg5 n LYS 94 Ca 0.08 -1.65 -0.39 0.00 -0.87 0.00 0.00 58.31 55.48 2kg5 n LYS 94 Cb 0.43 0.05 -0.02 0.00 0.02 0.00 0.00 35.03 35.51 2kg5 n LYS 94 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2kg5 n SER 95 N -0.55 6.42 -4.38 3.14 2.88 -1.26 -4.87 113.62 114.99 2kg5 n SER 95 Ca -0.13 -2.65 -0.45 0.00 -1.33 0.00 0.00 58.87 54.31 2kg5 n SER 95 Cb 0.85 -1.54 -0.05 0.00 -0.75 0.00 0.00 64.21 62.72 2kg5 n SER 95 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kg5 s ASP 96 N 2.77 6.19 0.93 -3.46 -1.08 -1.26 -5.05 116.67 115.71 2kg5 s ASP 96 Ca 0.59 -1.36 -0.15 0.00 -0.52 0.00 0.00 52.55 51.11 2kg5 s ASP 96 Cb 0.16 -2.29 0.17 0.00 -1.46 0.00 0.00 42.92 39.50 2kg5 s ASP 96 CO -0.06 -1.06 1.28 -0.44 0.52 0.00 0.00 175.17 175.42 2kg5 s SER 97 N 3.45 3.39 0.05 -0.34 0.01 -1.26 -4.97 113.70 114.03 2kg5 s SER 97 Ca 0.12 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2kg5 s SER 97 Cb -0.24 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2kg5 s SER 97 CO 0.07 -2.57 0.00 0.00 0.41 0.00 0.00 173.24 171.15 2kg5 n ALA 98 N -3.69 0.00 -1.39 1.44 0.00 -1.26 -5.17 120.51 110.44 2kg5 n ALA 98 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.75 2kg5 n ALA 98 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.62 -2.99 -0.30 0.00 2.81 -1.26 -5.39 117.12 107.38 2kg5 n MET 99 Ca 0.00 2.20 0.00 0.00 -1.81 0.00 0.00 57.70 58.09 2kg5 n MET 99 Cb 0.00 -3.57 0.00 0.00 -0.71 0.00 0.00 33.22 28.94 2kg5 n MET 99 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57