#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kug h ASP 2 N 0.00 0.00 0.08 0.00 3.32 -2.06 -3.43 116.42 114.33 2kug h ASP 2 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kug h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kug h ASP 2 CO 0.00 0.04 -0.04 1.56 -1.72 0.00 0.00 179.24 179.08 2kug h GLN 3 N -0.07 -0.10 -3.26 3.56 4.20 -2.01 -3.50 115.11 113.91 2kug h GLN 3 Ca 0.00 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2kug h GLN 3 Cb 0.01 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2kug h GLN 3 CO 0.00 -0.07 0.16 -0.51 -0.67 0.00 0.00 178.83 177.74 2kug s LEU 4 N -6.12 0.20 0.74 1.46 2.01 -1.26 -5.09 118.68 110.63 2kug s LEU 4 Ca -0.02 -1.16 -0.16 0.00 0.01 0.00 0.00 54.13 52.81 2kug s LEU 4 Cb 0.00 2.50 -0.02 0.00 0.01 0.00 0.00 46.19 48.68 2kug s LEU 4 CO 0.05 -1.55 0.63 0.35 1.01 0.00 0.00 176.35 176.83 2kug n THR 5 N -0.52 1.84 -0.35 5.49 -2.24 -1.26 -4.51 114.28 112.73 2kug n THR 5 Ca -0.06 -0.37 0.37 0.00 -2.27 0.00 0.00 64.05 61.72 2kug n THR 5 Cb 0.60 -0.81 0.72 0.00 -2.10 0.00 0.00 70.33 68.74 2kug n THR 5 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kug h GLU 6 N -0.46 0.00 0.31 -0.78 4.81 -2.01 0.13 114.58 116.58 2kug h GLU 6 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2kug h GLU 6 Cb 1.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2kug h GLU 6 CO 0.43 0.00 -0.30 0.93 -0.73 0.00 0.00 179.01 179.34 2kug h GLU 7 N 0.00 -0.58 -0.47 1.92 3.07 -1.99 0.18 114.58 116.71 2kug h GLU 7 Ca 0.60 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.55 2kug h GLU 7 Cb 2.59 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 30.58 2kug h GLU 7 CO -0.01 -0.39 0.18 0.37 -1.40 0.00 0.00 179.01 177.77 2kug h GLN 8 N -0.60 0.36 -0.54 2.33 5.75 -1.07 0.41 115.11 121.74 2kug h GLN 8 Ca -0.04 -0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.55 2kug h GLN 8 Cb 0.52 -0.08 -0.09 0.00 1.07 0.00 0.00 27.48 28.90 2kug h GLN 8 CO -0.03 0.23 -0.04 0.82 -2.65 0.00 0.00 178.83 177.16 2kug h ILE 9 N 0.37 0.53 -0.24 2.39 2.04 -1.30 0.26 117.51 121.56 2kug h ILE 9 Ca 0.22 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.09 2kug h ILE 9 Cb 0.20 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2kug h ILE 9 CO -0.21 0.01 -0.01 0.00 0.00 0.00 0.00 178.15 177.95 2kug h ALA 10 N 1.50 0.20 -0.18 1.87 0.00 0.54 -1.05 119.26 122.13 2kug h ALA 10 Ca 0.27 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.30 2kug h ALA 10 Cb 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kug h ALA 10 CO -0.49 -0.43 0.13 0.93 0.00 0.00 0.00 179.25 179.40 2kug h GLU 11 N 0.06 0.01 -0.76 0.00 5.08 -0.09 0.34 114.58 119.22 2kug h GLU 11 Ca 0.11 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2kug h GLU 11 Cb 0.15 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2kug h GLU 11 CO -0.20 0.00 0.45 0.74 -1.00 0.00 0.00 179.01 179.00 2kug h PHE 12 N 0.01 1.02 -0.59 4.33 0.04 0.77 0.19 116.94 122.70 2kug h PHE 12 Ca 0.09 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2kug h PHE 12 Cb 0.34 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 2kug h PHE 12 CO -0.00 0.69 0.26 -0.22 -0.60 0.00 0.00 178.31 178.45 2kug h LYS 13 N 1.04 0.84 -0.66 1.51 3.11 0.24 -0.95 116.57 121.70 2kug h LYS 13 Ca 0.27 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 2kug h LYS 13 Cb -0.01 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.03 2kug h LYS 13 CO -0.05 0.66 0.43 0.93 -2.81 0.00 0.00 179.45 178.62 2kug h GLU 14 N 0.83 0.88 -0.63 1.90 5.08 0.01 -1.93 114.58 120.73 2kug h GLU 14 Ca 0.20 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2kug h GLU 14 Cb 0.12 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2kug h GLU 14 CO -0.02 0.59 0.42 0.00 -1.00 0.00 0.00 179.01 179.00 2kug h ALA 15 N 1.24 1.81 -0.62 3.43 0.00 -0.08 -0.11 119.26 124.92 2kug h ALA 15 Ca 0.24 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2kug h ALA 15 Cb -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2kug h ALA 15 CO -0.05 0.09 0.35 0.35 0.00 0.00 0.00 179.25 179.98 2kug h PHE 16 N 0.61 0.65 -0.83 0.00 3.57 -0.43 -0.18 116.94 120.32 2kug h PHE 16 Ca 0.28 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.89 2kug h PHE 16 Cb 0.31 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 2kug h PHE 16 CO -0.00 0.32 0.54 1.03 -2.23 0.00 0.00 178.31 177.97 2kug h SER 17 N 0.66 0.72 1.02 0.41 0.87 -0.49 0.50 113.55 117.24 2kug h SER 17 Ca 0.27 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 2kug h SER 17 Cb 0.14 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2kug h SER 17 CO -0.16 0.43 -0.34 -0.07 -0.53 0.00 0.00 176.83 176.16 2kug h LEU 18 N 0.80 0.00 0.17 2.23 4.07 -0.79 -3.30 115.31 118.49 2kug h LEU 18 Ca 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.33 2kug h LEU 18 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2kug h LEU 18 CO -0.15 0.34 -0.08 -0.26 -1.08 0.00 0.00 178.44 177.21 2kug h PHE 19 N 0.00 -0.21 -0.25 1.13 0.04 0.76 -3.37 116.94 115.04 2kug h PHE 19 Ca -0.00 -0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.10 2kug h PHE 19 Cb 0.94 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 39.13 2kug h PHE 19 CO 0.00 0.18 2.58 -3.47 -0.60 0.00 0.00 178.31 176.99 2kug n ASP 20 N -4.91 3.81 0.15 2.17 2.03 -0.21 -4.67 116.55 114.91 2kug n ASP 20 Ca -0.07 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.43 2kug n ASP 20 Cb 0.24 -1.59 0.28 0.00 -0.72 0.00 0.00 41.12 39.33 2kug n ASP 20 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2kug h LYS 21 N 7.06 0.08 0.00 -0.67 5.09 -1.75 -2.04 116.57 124.34 2kug h LYS 21 Ca 0.48 -0.04 -0.02 0.00 0.09 0.00 0.00 60.65 61.17 2kug h LYS 21 Cb 0.73 -0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.05 2kug h LYS 21 CO 1.74 0.50 -0.52 0.38 -2.09 0.00 0.00 179.45 179.46 2kug h ASP 22 N 0.06 0.00 -0.84 7.07 3.04 -1.93 -3.48 116.42 120.34 2kug h ASP 22 Ca 0.00 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.62 2kug h ASP 22 Cb 0.79 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 39.04 2kug h ASP 22 CO 0.06 0.08 -0.19 0.61 -2.04 0.00 0.00 179.24 177.76 2kug n GLY 23 N 1.16 0.50 0.00 7.15 0.00 -0.77 -4.91 105.19 108.32 2kug n GLY 23 Ca 0.01 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.57 2kug n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kug n ASP 24 N 0.48 0.00 -0.24 1.61 5.68 -1.26 -4.88 116.55 117.94 2kug n ASP 24 Ca -0.09 -0.27 -0.03 0.00 -0.50 0.00 0.00 54.79 53.89 2kug n ASP 24 Cb 0.44 -0.20 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 2kug n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kug n GLY 25 N 0.65 0.56 3.47 6.12 0.00 -1.26 -5.04 105.19 109.69 2kug n GLY 25 Ca 0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 2kug n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kug s THR 26 N -2.11 -0.81 -0.24 2.61 -4.23 -1.26 -4.96 115.64 104.64 2kug s THR 26 Ca 0.00 0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.30 2kug s THR 26 Cb 0.00 -0.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.99 2kug s THR 26 CO 0.00 0.03 1.32 -0.63 -0.54 0.00 0.00 174.62 174.81 2kug s ILE 27 N 2.73 4.14 0.57 2.99 1.01 0.55 -4.87 121.20 128.31 2kug s ILE 27 Ca -0.04 1.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.89 2kug s ILE 27 Cb -0.12 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.32 2kug s ILE 27 CO -0.16 -0.33 0.86 0.42 0.00 0.00 0.00 174.94 175.73 2kug s THR 28 N 4.13 3.56 0.21 2.92 -4.23 -1.26 -1.68 115.64 119.30 2kug s THR 28 Ca 0.57 -0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 2kug s THR 28 Cb -0.20 -3.40 0.16 0.00 1.34 0.00 0.00 72.50 70.41 2kug s THR 28 CO 0.21 -0.38 1.87 0.71 -0.54 0.00 0.00 174.62 176.49 2kug h THR 29 N -0.08 1.21 -0.54 3.99 1.35 -1.85 0.19 112.91 117.17 2kug h THR 29 Ca -0.45 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2kug h THR 29 Cb 1.26 0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 2kug h THR 29 CO 0.59 0.21 0.35 0.50 -0.25 0.00 0.00 175.52 176.93 2kug h LYS 30 N 1.05 0.72 -0.68 4.72 1.63 -1.93 -0.26 116.57 121.82 2kug h LYS 30 Ca 0.28 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.10 2kug h LYS 30 Cb -0.08 -0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 31.33 2kug h LYS 30 CO -0.06 0.48 0.37 0.93 -3.45 0.00 0.00 179.45 177.73 2kug h GLU 31 N 0.74 0.65 -0.99 1.90 5.08 -1.51 0.06 114.58 120.50 2kug h GLU 31 Ca 0.20 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.70 2kug h GLU 31 Cb -0.07 -0.15 -0.10 0.00 0.50 0.00 0.00 28.75 28.93 2kug h GLU 31 CO -0.04 0.43 0.62 1.25 -1.00 0.00 0.00 179.01 180.26 2kug h LEU 32 N 0.67 0.77 -0.30 1.33 6.46 0.18 0.48 115.31 124.90 2kug h LEU 32 Ca 0.31 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.20 2kug h LEU 32 Cb 0.24 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 2kug h LEU 32 CO -0.21 0.30 0.05 1.23 -0.62 0.00 0.00 178.44 179.20 2kug h GLY 33 N 0.77 0.34 0.59 3.75 0.00 0.73 0.28 103.07 109.52 2kug h GLY 33 Ca 0.55 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.94 2kug h GLY 33 CO -0.34 -0.02 0.38 -0.84 0.00 0.00 0.00 176.54 175.73 2kug h THR 34 N 0.16 0.92 0.05 4.70 2.02 0.53 0.65 112.91 121.93 2kug h THR 34 Ca 0.14 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2kug h THR 34 Cb 0.16 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2kug h THR 34 CO -0.19 0.12 -0.09 0.58 0.37 0.00 0.00 175.52 176.31 2kug h VAL 35 N 0.68 0.00 -0.99 3.16 2.07 0.59 0.80 116.25 122.57 2kug h VAL 35 Ca 0.33 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.95 2kug h VAL 35 Cb 0.27 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 2kug h VAL 35 CO -0.22 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.24 2kug h MET 36 N -0.15 1.02 -0.64 1.57 2.86 -0.50 0.15 114.93 119.24 2kug h MET 36 Ca -0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2kug h MET 36 Cb 0.14 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2kug h MET 36 CO -0.03 0.67 0.41 -0.09 1.06 0.00 0.00 176.91 178.93 2kug h ARG 37 N 1.05 0.85 -0.27 1.72 9.65 -0.56 -2.84 114.38 123.99 2kug h ARG 37 Ca 0.46 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 59.17 2kug h ARG 37 Cb 0.35 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2kug h ARG 37 CO -0.21 0.58 -0.27 0.66 2.80 0.00 0.00 179.97 183.53 2kug h SER 38 N 0.88 0.54 0.06 -3.80 4.64 0.35 -0.08 113.55 116.14 2kug h SER 38 Ca 0.23 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2kug h SER 38 Cb -0.07 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2kug h SER 38 CO -0.05 0.79 0.00 0.18 -0.87 0.00 0.00 176.83 176.88 2kug n LEU 39 N -4.11 0.00 -0.43 5.97 4.32 -0.93 -4.84 117.00 116.98 2kug n LEU 39 Ca -0.00 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 2kug n LEU 39 Cb 0.42 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 2kug n LEU 39 CO 0.43 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 2kug n GLY 40 N 0.29 0.73 3.44 -0.72 0.00 -0.05 -5.11 105.19 103.76 2kug n GLY 40 Ca 0.14 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 2kug n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kug s GLN 41 N -1.64 1.76 -0.28 1.61 -1.52 -1.10 -5.00 119.66 113.48 2kug s GLN 41 Ca 0.00 -1.71 -0.03 0.00 -1.95 0.00 0.00 55.36 51.67 2kug s GLN 41 Cb 0.00 0.41 0.09 0.00 -0.22 0.00 0.00 33.01 33.29 2kug s GLN 41 CO 0.00 -0.71 0.11 1.21 -0.25 0.00 0.00 175.29 175.65 2kug s ASN 42 N -3.22 3.60 0.08 5.90 3.84 -1.26 -4.10 114.94 119.78 2kug s ASN 42 Ca 0.32 -1.34 -0.24 0.00 0.21 0.00 0.00 52.86 51.82 2kug s ASN 42 Cb 0.01 -0.55 -0.06 0.00 -0.55 0.00 0.00 41.25 40.10 2kug s ASN 42 CO 0.19 -0.42 0.72 -2.16 -2.79 0.00 0.00 177.10 172.64 2kug s PRO 43 N 1.91 4.45 0.95 0.43 0.04 -1.26 -5.06 135.00 136.46 2kug s PRO 43 Ca 0.08 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 2kug s PRO 43 Cb -0.17 -3.31 0.16 0.00 0.04 0.00 0.00 34.50 31.22 2kug s PRO 43 CO -0.29 0.43 1.15 0.99 0.04 0.00 0.00 177.00 179.32 2kug s THR 44 N -0.55 1.96 0.28 1.26 2.01 -1.26 -4.84 115.64 114.49 2kug s THR 44 Ca 0.35 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.36 2kug s THR 44 Cb -0.21 -2.73 0.27 0.00 0.01 0.00 0.00 72.50 69.84 2kug s THR 44 CO 0.23 0.00 1.82 -0.33 -0.69 0.00 0.00 174.62 175.64 2kug h GLU 45 N -1.63 0.87 -0.57 4.92 5.08 -2.01 0.12 114.58 121.35 2kug h GLU 45 Ca -0.50 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 57.90 2kug h GLU 45 Cb 1.32 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 2kug h GLU 45 CO 0.57 0.57 0.19 0.00 -1.00 0.00 0.00 179.01 179.34 2kug h ALA 46 N 1.54 0.71 0.00 3.43 0.00 -2.00 -0.41 119.26 122.53 2kug h ALA 46 Ca 0.49 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2kug h ALA 46 Cb 0.54 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kug h ALA 46 CO -0.29 -0.23 -0.07 0.93 0.00 0.00 0.00 179.25 179.60 2kug h GLU 47 N 0.36 0.00 -0.03 0.00 3.07 -1.11 0.33 114.58 117.20 2kug h GLU 47 Ca 0.29 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.12 2kug h GLU 47 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2kug h GLU 47 CO -0.31 0.07 -0.08 -0.07 -1.40 0.00 0.00 179.01 177.22 2kug h LEU 48 N 0.00 0.12 -0.22 1.33 4.07 -0.57 0.76 115.31 120.80 2kug h LEU 48 Ca -0.00 -0.61 -0.00 0.00 0.08 0.00 0.00 57.88 57.34 2kug h LEU 48 Cb 0.23 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2kug h LEU 48 CO 0.01 0.71 0.13 -0.61 -1.08 0.00 0.00 178.44 177.59 2kug h GLN 49 N -0.47 0.30 -0.12 1.13 5.75 -1.08 -2.47 115.11 118.14 2kug h GLN 49 Ca -0.00 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.30 2kug h GLN 49 Cb 0.70 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.20 2kug h GLN 49 CO 0.02 0.26 -0.58 -0.44 -2.65 0.00 0.00 178.83 175.44 2kug h ASP 50 N 0.25 0.72 0.03 -0.69 3.32 -0.46 -0.09 116.42 119.51 2kug h ASP 50 Ca 0.08 -0.63 -0.05 0.00 0.02 0.00 0.00 57.03 56.44 2kug h ASP 50 Cb 0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2kug h ASP 50 CO -0.01 1.24 -0.15 0.24 -1.72 0.00 0.00 179.24 178.84 2kug h MET 51 N 0.25 0.24 0.46 3.56 2.86 -0.87 0.34 114.93 121.78 2kug h MET 51 Ca -0.04 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2kug h MET 51 Cb 1.22 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2kug h MET 51 CO 0.12 0.40 -0.22 0.82 1.06 0.00 0.00 176.91 179.09 2kug h ILE 52 N 0.23 0.43 -0.26 -1.22 2.04 -1.38 -3.29 117.51 114.06 2kug h ILE 52 Ca 0.05 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2kug h ILE 52 Cb 0.41 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2kug h ILE 52 CO 0.02 0.06 0.17 -1.13 0.00 0.00 0.00 178.15 177.28 2kug h ASN 53 N -0.92 0.20 0.45 1.72 -1.24 -0.42 0.25 115.58 115.63 2kug h ASN 53 Ca -0.06 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.91 2kug h ASN 53 Cb 0.58 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.58 2kug h ASN 53 CO 0.10 0.14 -0.14 1.05 -1.29 0.00 0.00 177.43 177.29 2kug h GLU 54 N 0.23 0.00 -0.04 6.67 4.11 -0.45 -2.85 114.58 122.25 2kug h GLU 54 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2kug h GLU 54 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kug h GLU 54 CO -0.02 0.14 0.00 1.33 0.07 0.00 0.00 179.01 180.53 2kug n VAL 55 N -3.60 1.28 -2.87 -1.06 0.24 0.50 -5.00 118.33 107.83 2kug n VAL 55 Ca -0.01 -1.35 -0.42 0.00 -2.04 0.00 0.00 64.34 60.51 2kug n VAL 55 Cb 0.27 0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 32.88 2kug n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2kug s ASP 56 N -1.51 6.77 0.09 -1.34 2.15 0.59 -4.88 116.67 118.54 2kug s ASP 56 Ca 0.12 0.86 0.18 0.00 0.43 0.00 0.00 52.55 54.14 2kug s ASP 56 Cb 0.10 -2.44 -0.11 0.00 -0.30 0.00 0.00 42.92 40.16 2kug s ASP 56 CO 0.03 -0.63 0.85 0.00 -0.17 0.00 0.00 175.17 175.25 2kug n ALA 57 N 6.25 2.08 0.53 3.66 0.00 -1.26 -4.06 120.51 127.71 2kug n ALA 57 Ca 0.06 -0.48 0.11 0.00 0.00 0.00 0.00 53.44 53.13 2kug n ALA 57 Cb 0.48 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.99 2kug n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kug n ASP 58 N -2.82 0.62 -0.13 0.00 5.75 -1.26 -4.97 116.55 113.74 2kug n ASP 58 Ca -0.08 -0.12 -0.02 0.00 -0.01 0.00 0.00 54.79 54.57 2kug n ASP 58 Cb 0.77 0.69 -0.01 0.00 -1.03 0.00 0.00 41.12 41.55 2kug n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kug n GLY 59 N 1.35 0.52 0.12 6.12 0.00 -1.26 -4.92 105.19 107.12 2kug n GLY 59 Ca 0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 2kug n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2kug h ASN 60 N 0.00 0.29 0.00 1.61 -1.07 -1.93 -3.48 115.58 111.00 2kug h ASN 60 Ca -0.04 -0.25 0.00 0.00 0.07 0.00 0.00 56.30 56.09 2kug h ASN 60 Cb 0.25 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.41 2kug h ASN 60 CO 0.05 1.08 0.00 0.61 0.07 0.00 0.00 177.43 179.24 2kug n GLY 61 N 1.00 1.75 3.32 9.14 0.00 -1.26 -5.11 105.19 114.03 2kug n GLY 61 Ca -0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 2kug n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kug s THR 62 N -2.00 0.07 0.02 2.61 -4.23 -1.26 -4.73 115.64 106.11 2kug s THR 62 Ca 0.00 -0.54 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 2kug s THR 62 Cb 0.00 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 2kug s THR 62 CO 0.00 -0.30 -0.20 -0.63 -0.54 0.00 0.00 174.62 172.95 2kug s ILE 63 N -3.72 1.63 0.18 2.99 -1.09 -0.67 -4.89 121.20 115.63 2kug s ILE 63 Ca 0.02 -1.08 0.01 0.00 -2.23 0.00 0.00 60.65 57.38 2kug s ILE 63 Cb 0.02 -1.40 0.01 0.00 -1.58 0.00 0.00 42.46 39.51 2kug s ILE 63 CO -0.11 0.29 0.11 -0.90 -1.23 0.00 0.00 174.94 173.09 2kug n ASP 64 N 2.10 1.80 0.09 3.58 5.68 -1.26 -0.33 116.55 128.20 2kug n ASP 64 Ca -0.16 -1.67 -0.13 0.00 -0.50 0.00 0.00 54.79 52.33 2kug n ASP 64 Cb 0.53 0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.46 2kug n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2kug h PHE 65 N 0.68 -0.18 -0.59 2.11 3.57 -1.98 0.47 116.94 121.02 2kug h PHE 65 Ca -0.12 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.49 2kug h PHE 65 Cb 0.43 0.07 -0.12 0.00 2.79 0.00 0.00 35.95 39.12 2kug h PHE 65 CO 0.00 -0.11 -0.21 -1.35 -2.23 0.00 0.00 178.31 174.41 2kug h PRO 66 N -0.17 -0.06 -0.43 6.41 0.11 -1.99 0.19 132.00 136.06 2kug h PRO 66 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2kug h PRO 66 Cb 0.15 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 2kug h PRO 66 CO -0.00 -0.04 -0.03 0.93 -0.21 0.00 0.00 178.00 178.64 2kug h GLU 67 N -0.07 0.72 -0.49 1.05 5.08 -1.91 -0.06 114.58 118.90 2kug h GLU 67 Ca 0.27 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2kug h GLU 67 Cb 0.49 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2kug h GLU 67 CO -0.64 0.76 0.26 0.35 -1.00 0.00 0.00 179.01 178.74 2kug h PHE 68 N 0.67 0.68 -0.67 4.33 3.57 -0.41 -0.01 116.94 125.10 2kug h PHE 68 Ca 0.13 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2kug h PHE 68 Cb 0.47 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2kug h PHE 68 CO 0.02 0.52 0.16 1.25 -2.23 0.00 0.00 178.31 178.03 2kug h LEU 69 N 0.65 1.02 -1.05 0.59 6.46 0.22 0.22 115.31 123.41 2kug h LEU 69 Ca 0.17 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2kug h LEU 69 Cb 0.07 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.69 2kug h LEU 69 CO -0.03 0.99 0.45 0.71 -0.62 0.00 0.00 178.44 179.94 2kug h THR 70 N 1.00 1.23 -0.74 1.05 1.35 -0.90 -1.05 112.91 114.86 2kug h THR 70 Ca 0.21 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2kug h THR 70 Cb 0.37 0.14 -0.04 0.00 -1.73 0.00 0.00 68.15 66.89 2kug h THR 70 CO 0.00 0.26 0.48 -0.03 -0.25 0.00 0.00 175.52 175.98 2kug h MET 71 N 1.12 0.99 -0.25 4.72 1.85 -0.45 -2.04 114.93 120.86 2kug h MET 71 Ca 0.28 -0.07 0.07 0.00 -0.61 0.00 0.00 59.70 59.37 2kug h MET 71 Cb 0.01 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 31.81 2kug h MET 71 CO -0.05 0.67 0.18 0.52 -0.40 0.00 0.00 176.91 177.83 2kug h MET 72 N 1.01 0.04 -0.72 0.39 2.07 0.50 0.27 114.93 118.49 2kug h MET 72 Ca 0.27 -0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.90 2kug h MET 72 Cb -0.09 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.60 2kug h MET 72 CO -0.06 0.02 0.44 0.00 1.07 0.00 0.00 176.91 178.39 2kug h ALA 73 N 1.87 1.42 0.00 6.32 0.00 -0.48 -1.60 119.26 126.78 2kug h ALA 73 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kug h ALA 73 Cb 0.42 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kug h ALA 73 CO -0.01 0.51 -0.10 0.00 0.00 0.00 0.00 179.25 179.66 2kug h ARG 74 N 0.99 0.00 -5.63 0.00 2.47 -0.38 -3.41 114.38 108.43 2kug h ARG 74 Ca 0.26 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.69 2kug h ARG 74 Cb -0.05 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 2kug h ARG 74 CO -0.05 0.10 0.86 0.21 0.56 0.00 0.00 179.97 181.65 2kug s LYS 75 N -3.85 2.15 0.00 0.04 2.36 -0.60 -5.13 119.74 114.70 2kug s LYS 75 Ca -0.01 0.55 0.00 0.00 -2.55 0.00 0.00 55.97 53.97 2kug s LYS 75 Cb 0.11 -4.72 0.00 0.00 -1.05 0.00 0.00 37.83 32.16 2kug s LYS 75 CO 0.57 -3.57 0.00 0.00 1.55 0.00 0.00 175.35 173.90