#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 0.22 0.00 2.03 -2.04 -3.43 116.42 113.20 2kug h ASP 2 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 2kug h ASP 2 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2kug h ASP 2 CO 0.00 0.08 -0.11 1.56 -1.03 0.00 0.00 179.24 179.74 2kug h GLN 3 N -0.13 -0.29 0.00 4.15 1.08 -2.00 -3.49 115.11 114.43 2kug h GLN 3 Ca 0.00 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 2kug h GLN 3 Cb 0.02 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2kug h GLN 3 CO 0.00 -0.14 -0.04 1.28 -0.95 0.00 0.00 178.83 178.98 2kug n LEU 4 N -4.97 0.00 -4.69 1.46 7.99 -1.26 -5.10 117.00 110.42 2kug n LEU 4 Ca -0.04 -0.88 -0.32 0.00 -0.01 0.00 0.00 56.01 54.76 2kug n LEU 4 Cb 0.15 0.79 0.14 0.00 -0.11 0.00 0.00 43.42 44.39 2kug n LEU 4 CO 0.12 -0.20 0.73 0.42 -1.51 0.00 0.00 177.39 176.94 2kug s THR 5 N -2.55 2.13 0.54 -5.08 -4.23 -1.26 -4.16 115.64 101.03 2kug s THR 5 Ca 0.09 0.05 0.37 0.00 -1.18 0.00 0.00 61.69 61.02 2kug s THR 5 Cb -0.00 -2.29 0.56 0.00 1.34 0.00 0.00 72.50 72.11 2kug s THR 5 CO 0.06 -0.05 1.78 -0.08 -0.54 0.00 0.00 174.62 175.79 2kug h GLU 6 N -1.31 0.02 0.17 3.99 4.22 -1.99 0.26 114.58 119.94 2kug h GLU 6 Ca -0.45 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.00 2kug h GLU 6 Cb 1.28 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2kug h GLU 6 CO 0.44 0.01 -0.42 0.93 -2.18 0.00 0.00 179.01 177.79 2kug h GLU 7 N 0.02 -0.64 -0.35 1.92 4.39 -1.99 0.26 114.58 118.19 2kug h GLU 7 Ca 0.61 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.35 2kug h GLU 7 Cb 2.39 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 31.16 2kug h GLU 7 CO -0.03 -0.42 0.22 0.37 -1.16 0.00 0.00 179.01 177.99 2kug h GLN 8 N -0.66 0.47 -0.60 2.33 5.75 -1.29 0.39 115.11 121.49 2kug h GLN 8 Ca -0.02 -0.04 0.12 0.00 -0.15 0.00 0.00 58.65 58.57 2kug h GLN 8 Cb 0.64 -0.10 -0.10 0.00 1.07 0.00 0.00 27.48 28.99 2kug h GLN 8 CO -0.19 0.33 0.06 0.82 -2.65 0.00 0.00 178.83 177.20 2kug h ILE 9 N 0.46 0.56 -0.15 2.39 2.04 -1.29 0.49 117.51 122.01 2kug h ILE 9 Ca 0.13 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.97 2kug h ILE 9 Cb -0.02 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 2kug h ILE 9 CO -0.03 0.03 -0.10 0.00 0.00 0.00 0.00 178.15 178.05 2kug h ALA 10 N 1.52 0.02 0.00 1.87 0.00 0.46 -0.63 119.26 122.50 2kug h ALA 10 Ca 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2kug h ALA 10 Cb 0.50 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2kug h ALA 10 CO -0.47 -0.55 -0.07 0.93 0.00 0.00 0.00 179.25 179.10 2kug h GLU 11 N -0.11 0.00 -0.57 0.00 5.08 -0.13 0.14 114.58 118.99 2kug h GLU 11 Ca 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2kug h GLU 11 Cb 0.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2kug h GLU 11 CO -0.22 0.07 0.25 0.74 -1.00 0.00 0.00 179.01 178.85 2kug h PHE 12 N 0.00 0.81 -0.63 4.33 0.04 0.15 0.28 116.94 121.93 2kug h PHE 12 Ca -0.00 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.75 2kug h PHE 12 Cb 0.27 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 2kug h PHE 12 CO 0.00 0.61 0.41 -0.22 -0.60 0.00 0.00 178.31 178.51 2kug h LYS 13 N 0.81 0.80 -0.61 1.51 3.11 -0.15 0.13 116.57 122.17 2kug h LYS 13 Ca 0.20 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.98 2kug h LYS 13 Cb 0.12 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.14 2kug h LYS 13 CO -0.02 0.53 0.32 0.93 -2.81 0.00 0.00 179.45 178.39 2kug h GLU 14 N 0.82 0.85 -0.56 1.90 5.08 -0.74 -1.56 114.58 120.37 2kug h GLU 14 Ca 0.24 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2kug h GLU 14 Cb -0.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 2kug h GLU 14 CO -0.07 0.64 0.05 0.00 -1.00 0.00 0.00 179.01 178.62 2kug h ALA 15 N 1.50 1.02 -0.46 3.43 0.00 0.05 -1.38 119.26 123.42 2kug h ALA 15 Ca 0.22 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2kug h ALA 15 Cb 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2kug h ALA 15 CO -0.03 0.61 0.13 0.35 0.00 0.00 0.00 179.25 180.31 2kug h PHE 16 N 0.87 0.22 -1.00 0.00 3.57 -0.15 -0.21 116.94 120.23 2kug h PHE 16 Ca 0.17 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.82 2kug h PHE 16 Cb 0.45 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.08 2kug h PHE 16 CO 0.03 0.05 0.63 1.03 -2.23 0.00 0.00 178.31 177.82 2kug h SER 17 N 0.28 0.92 -0.99 0.41 0.87 -0.67 -1.38 113.55 112.99 2kug h SER 17 Ca 0.22 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.93 2kug h SER 17 Cb 0.25 -0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.00 2kug h SER 17 CO -0.26 0.49 0.63 -0.07 -0.53 0.00 0.00 176.83 177.09 2kug h LEU 18 N 0.99 0.95 0.24 2.23 3.38 0.05 -2.91 115.31 120.24 2kug h LEU 18 Ca 0.50 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 2kug h LEU 18 Cb 0.49 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kug h LEU 18 CO -0.27 0.55 -0.12 -0.26 0.09 0.00 0.00 178.44 178.44 2kug h PHE 19 N 1.05 -0.30 -0.69 1.13 0.04 -1.03 -3.39 116.94 113.74 2kug h PHE 19 Ca 0.46 -0.01 -0.70 0.00 2.80 0.00 0.00 57.97 60.53 2kug h PHE 19 Cb 0.37 0.10 -0.08 0.00 2.20 0.00 0.00 35.95 38.54 2kug h PHE 19 CO -0.00 -0.19 2.47 -3.47 -0.60 0.00 0.00 178.31 176.52 2kug n ASP 20 N -4.01 4.58 0.27 2.17 2.03 -0.61 -4.71 116.55 116.28 2kug n ASP 20 Ca -0.04 -2.91 0.16 0.00 0.52 0.00 0.00 54.79 52.52 2kug n ASP 20 Cb 0.13 -1.68 0.73 0.00 -0.72 0.00 0.00 41.12 39.57 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 6.84 0.00 0.00 -0.67 -0.00 -1.73 -1.79 116.57 119.22 2kug h LYS 21 Ca 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 61.10 2kug h LYS 21 Cb 0.77 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.00 2kug h LYS 21 CO 1.61 0.07 -0.39 0.38 -0.00 0.00 0.00 179.45 181.12 2kug h ASP 22 N 0.00 0.00 -1.08 7.07 3.04 -1.88 -3.48 116.42 120.09 2kug h ASP 22 Ca -0.00 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.61 2kug h ASP 22 Cb 0.45 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.71 2kug h ASP 22 CO 0.01 0.11 -0.22 0.61 -2.04 0.00 0.00 179.24 177.72 2kug n GLY 23 N 1.16 0.27 0.00 7.15 0.00 -0.67 -4.91 105.19 108.17 2kug n GLY 23 Ca 0.02 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 0.33 0.00 -0.32 1.61 5.68 -1.26 -4.89 116.55 117.69 2kug n ASP 24 Ca -0.10 0.05 -0.04 0.00 -0.50 0.00 0.00 54.79 54.20 2kug n ASP 24 Cb 0.51 -0.32 -0.02 0.00 -1.14 0.00 0.00 41.12 40.15 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 0.72 0.67 3.06 6.12 0.00 -1.26 -5.03 105.19 109.47 2kug n GLY 25 Ca 0.10 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.16 -0.55 -0.36 2.61 -4.23 -1.26 -4.84 115.64 104.85 2kug s THR 26 Ca 0.00 0.11 -0.26 0.00 -1.18 0.00 0.00 61.69 60.35 2kug s THR 26 Cb 0.00 -0.65 0.02 0.00 1.34 0.00 0.00 72.50 73.20 2kug s THR 26 CO 0.00 0.01 0.96 -0.63 -0.54 0.00 0.00 174.62 174.41 2kug s ILE 27 N 2.52 4.56 0.68 2.99 1.01 0.01 -4.80 121.20 128.18 2kug s ILE 27 Ca 0.04 1.30 -0.09 0.00 0.00 0.00 0.00 60.65 61.90 2kug s ILE 27 Cb -0.13 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 38.01 2kug s ILE 27 CO -0.12 -0.53 1.04 0.42 0.00 0.00 0.00 174.94 175.74 2kug s THR 28 N 3.53 3.22 0.17 2.92 -4.23 -1.26 -1.92 115.64 118.07 2kug s THR 28 Ca 0.40 0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.97 2kug s THR 28 Cb -0.12 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.44 2kug s THR 28 CO 0.18 -0.43 1.79 0.71 -0.54 0.00 0.00 174.62 176.33 2kug h THR 29 N -0.56 1.18 -0.98 3.99 1.35 -1.87 0.43 112.91 116.46 2kug h THR 29 Ca -0.45 -0.44 0.10 0.00 -0.55 0.00 0.00 66.41 65.07 2kug h THR 29 Cb 1.27 0.44 -0.08 0.00 -1.73 0.00 0.00 68.15 68.05 2kug h THR 29 CO 0.63 0.19 0.62 0.50 -0.25 0.00 0.00 175.52 177.22 2kug h LYS 30 N 0.77 0.97 -0.55 4.72 1.63 -1.93 -0.66 116.57 121.52 2kug h LYS 30 Ca 0.20 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.86 2kug h LYS 30 Cb 0.02 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 2kug h LYS 30 CO -0.03 0.65 0.01 0.93 -3.45 0.00 0.00 179.45 177.55 2kug h GLU 31 N 1.00 0.97 -0.61 1.90 5.08 -1.63 -1.64 114.58 119.66 2kug h GLU 31 Ca 0.46 -0.31 0.12 0.00 -1.00 0.00 0.00 59.36 58.64 2kug h GLU 31 Cb 0.41 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.46 2kug h GLU 31 CO -0.22 0.98 -0.14 1.25 -1.00 0.00 0.00 179.01 179.87 2kug h LEU 32 N 0.86 -0.54 -0.74 1.33 7.12 0.49 0.13 115.31 123.95 2kug h LEU 32 Ca 0.16 0.18 -0.01 0.00 0.13 0.00 0.00 57.88 58.34 2kug h LEU 32 Cb 0.53 0.37 -0.04 0.00 -0.53 0.00 0.00 40.66 40.99 2kug h LEU 32 CO 0.03 -0.20 0.43 1.23 -0.13 0.00 0.00 178.44 179.80 2kug h GLY 33 N 0.01 1.09 0.16 3.75 0.00 -1.01 0.22 103.07 107.29 2kug h GLY 33 Ca 0.29 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 47.20 2kug h GLY 33 CO -0.62 0.46 -0.29 -0.84 0.00 0.00 0.00 176.54 175.24 2kug h THR 34 N 1.02 0.33 -0.12 4.70 2.02 0.16 0.21 112.91 121.23 2kug h THR 34 Ca 0.26 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 2kug h THR 34 Cb -0.01 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2kug h THR 34 CO -0.05 0.00 -0.25 0.58 0.37 0.00 0.00 175.52 176.18 2kug h VAL 35 N -0.35 1.38 -0.98 3.16 2.07 -0.87 0.17 116.25 120.84 2kug h VAL 35 Ca 0.11 -1.53 0.20 0.00 0.82 0.00 0.00 66.70 66.30 2kug h VAL 35 Cb 0.51 2.08 -0.09 0.00 -1.52 0.00 0.00 31.29 32.27 2kug h VAL 35 CO -0.36 0.45 0.62 0.24 0.02 0.00 0.00 177.57 178.53 2kug h MET 36 N -0.04 0.59 -0.44 1.57 2.07 -0.89 0.44 114.93 118.23 2kug h MET 36 Ca 0.00 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.57 2kug h MET 36 Cb 0.84 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.42 2kug h MET 36 CO 0.05 0.39 0.17 -0.09 1.07 0.00 0.00 176.91 178.50 2kug h ARG 37 N 0.61 0.66 -0.48 1.72 9.65 -0.22 -3.09 114.38 123.24 2kug h ARG 37 Ca 0.54 -0.12 0.04 0.00 -1.10 0.00 0.00 59.98 59.34 2kug h ARG 37 Cb 1.05 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.50 2kug h ARG 37 CO -0.30 0.61 0.32 0.66 2.80 0.00 0.00 179.97 184.06 2kug h SER 38 N 0.57 0.42 0.06 -3.80 4.64 0.28 0.12 113.55 115.84 2kug h SER 38 Ca 0.15 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2kug h SER 38 Cb 0.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2kug h SER 38 CO -0.01 0.29 0.00 0.18 -0.87 0.00 0.00 176.83 176.42 2kug n LEU 39 N -4.48 0.00 -0.77 5.97 4.32 -0.29 -4.83 117.00 116.93 2kug n LEU 39 Ca 0.06 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 2kug n LEU 39 Cb 0.18 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 2kug n LEU 39 CO 0.35 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 2kug n GLY 40 N 0.14 0.77 3.47 -0.72 0.00 0.40 -5.11 105.19 104.13 2kug n GLY 40 Ca 0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.35 1.50 -0.29 1.61 -1.52 -1.06 -5.03 119.66 112.52 2kug s GLN 41 Ca 0.00 -1.42 -0.01 0.00 -1.95 0.00 0.00 55.36 51.98 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 -0.59 0.08 1.21 -0.25 0.00 0.00 175.29 175.74 2kug s ASN 42 N -3.09 3.85 0.09 5.90 3.84 -1.26 -4.07 114.94 120.20 2kug s ASN 42 Ca 0.28 -1.49 -0.27 0.00 0.21 0.00 0.00 52.86 51.59 2kug s ASN 42 Cb 0.02 -0.81 -0.06 0.00 -0.55 0.00 0.00 41.25 39.84 2kug s ASN 42 CO 0.11 -0.39 0.84 -2.16 -2.79 0.00 0.00 177.10 172.71 2kug s PRO 43 N 1.67 4.59 0.85 0.43 0.04 -1.26 -5.07 135.00 136.24 2kug s PRO 43 Ca 0.08 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 2kug s PRO 43 Cb -0.17 -3.35 0.10 0.00 0.04 0.00 0.00 34.50 31.12 2kug s PRO 43 CO -0.23 0.31 1.11 0.99 0.04 0.00 0.00 177.00 179.22 2kug s THR 44 N -0.24 2.67 0.28 1.26 2.01 -1.26 -4.85 115.64 115.51 2kug s THR 44 Ca 0.41 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.65 2kug s THR 44 Cb -0.22 -2.94 0.27 0.00 0.01 0.00 0.00 72.50 69.63 2kug s THR 44 CO 0.26 -0.28 1.79 -0.33 -0.69 0.00 0.00 174.62 175.36 2kug h GLU 45 N -1.28 0.75 -0.45 4.92 5.08 -2.01 0.26 114.58 121.85 2kug h GLU 45 Ca -0.49 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 57.90 2kug h GLU 45 Cb 1.29 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 2kug h GLU 45 CO 0.60 0.49 0.08 0.00 -1.00 0.00 0.00 179.01 179.18 2kug h ALA 46 N 1.59 0.48 -0.01 3.43 0.00 -2.00 -0.15 119.26 122.60 2kug h ALA 46 Ca 0.52 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2kug h ALA 46 Cb 0.71 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kug h ALA 46 CO -0.35 -0.32 0.01 0.93 0.00 0.00 0.00 179.25 179.52 2kug h GLU 47 N 0.21 0.00 -0.08 0.00 4.39 -0.83 0.21 114.58 118.48 2kug h GLU 47 Ca 0.22 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.83 2kug h GLU 47 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2kug h GLU 47 CO -0.30 0.00 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.19 2kug h LEU 48 N 0.00 0.39 -0.71 1.33 4.07 -0.52 0.20 115.31 120.08 2kug h LEU 48 Ca 0.00 -0.63 -0.03 0.00 0.08 0.00 0.00 57.88 57.31 2kug h LEU 48 Cb 0.03 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 2kug h LEU 48 CO -0.00 0.95 0.34 -0.61 -1.08 0.00 0.00 178.44 178.04 2kug h GLN 49 N -0.14 1.01 0.17 1.13 5.75 -0.93 -2.49 115.11 119.61 2kug h GLN 49 Ca -0.01 -0.15 -0.25 0.00 -0.15 0.00 0.00 58.65 58.09 2kug h GLN 49 Cb 0.93 -0.18 0.03 0.00 1.07 0.00 0.00 27.48 29.32 2kug h GLN 49 CO 0.06 0.80 -1.09 -0.44 -2.65 0.00 0.00 178.83 175.51 2kug h ASP 50 N 0.98 0.66 -0.97 -0.69 5.19 -0.71 0.99 116.42 121.87 2kug h ASP 50 Ca 0.24 -0.92 0.02 0.00 -0.62 0.00 0.00 57.03 55.75 2kug h ASP 50 Cb 0.11 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.36 2kug h ASP 50 CO -0.03 1.52 0.64 0.24 -3.12 0.00 0.00 179.24 178.49 2kug h MET 51 N -0.10 1.25 0.20 3.56 2.86 -1.00 0.40 114.93 122.10 2kug h MET 51 Ca -0.19 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 2kug h MET 51 Cb 1.84 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 33.22 2kug h MET 51 CO 0.21 0.83 -0.10 0.82 1.06 0.00 0.00 176.91 179.73 2kug h ILE 52 N 1.29 0.88 -0.94 -1.22 2.04 -1.46 -3.14 117.51 114.95 2kug h ILE 52 Ca 0.36 -0.44 0.22 0.00 1.00 0.00 0.00 64.86 66.01 2kug h ILE 52 Cb -0.12 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2kug h ILE 52 CO -0.09 0.10 0.62 -1.13 0.00 0.00 0.00 178.15 177.66 2kug h ASN 53 N -0.48 0.41 1.25 1.72 -0.00 0.30 0.26 115.58 119.03 2kug h ASN 53 Ca -0.03 0.05 -0.07 0.00 -0.00 0.00 0.00 56.30 56.26 2kug h ASN 53 Cb 0.37 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 2kug h ASN 53 CO 0.04 0.14 -0.32 1.05 -0.00 0.00 0.00 177.43 178.35 2kug h GLU 54 N 0.40 0.00 -0.02 6.67 4.11 -0.27 -3.25 114.58 122.22 2kug h GLU 54 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 2kug h GLU 54 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kug h GLU 54 CO -0.20 0.32 0.00 1.33 0.07 0.00 0.00 179.01 180.53 2kug n VAL 55 N -3.30 1.46 -3.00 -1.06 0.24 0.43 -5.00 118.33 108.10 2kug n VAL 55 Ca 0.01 -1.62 -0.41 0.00 -2.04 0.00 0.00 64.34 60.28 2kug n VAL 55 Cb 0.56 0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 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 -1.91 6.76 0.05 -1.34 2.15 0.63 -4.87 116.67 118.14 2kug s ASP 56 Ca 0.17 0.94 0.18 0.00 0.43 0.00 0.00 52.55 54.26 2kug s ASP 56 Cb 0.15 -2.39 -0.15 0.00 -0.30 0.00 0.00 42.92 40.23 2kug s ASP 56 CO 0.02 -0.39 0.77 0.00 -0.17 0.00 0.00 175.17 175.40 2kug n ALA 57 N 5.52 2.01 0.67 3.66 0.00 -1.26 -4.07 120.51 127.04 2kug n ALA 57 Ca 0.02 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 53.01 2kug n ALA 57 Cb 0.49 -0.90 0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 0.63 -0.02 0.00 5.68 -1.26 -4.96 116.55 113.80 2kug n ASP 58 Ca -0.10 -0.19 -0.00 0.00 -0.50 0.00 0.00 54.79 53.99 2kug n ASP 58 Cb 0.82 0.57 -0.00 0.00 -1.14 0.00 0.00 41.12 41.37 2kug n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kug n GLY 59 N 1.39 0.40 0.15 6.12 0.00 -1.26 -4.91 105.19 107.09 2kug n GLY 59 Ca 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.27 -0.13 1.61 -1.07 -1.93 -3.48 115.58 110.85 2kug h ASN 60 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.18 2kug h ASN 60 Cb 0.23 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.40 2kug h ASN 60 CO 0.01 0.91 0.00 0.61 0.07 0.00 0.00 177.43 179.02 2kug n GLY 61 N 0.55 1.29 3.41 9.14 0.00 -1.26 -5.12 105.19 113.20 2kug n GLY 61 Ca -0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.13 0.04 -0.06 2.61 -4.23 -1.26 -4.76 115.64 105.86 2kug s THR 62 Ca 0.00 -0.60 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 2kug s THR 62 Cb 0.00 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.52 2kug s THR 62 CO 0.00 -0.19 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.11 2kug s ILE 63 N -3.83 1.25 0.51 2.99 -1.09 -0.81 -4.87 121.20 115.36 2kug s ILE 63 Ca 0.05 -0.57 0.06 0.00 -2.23 0.00 0.00 60.65 57.96 2kug s ILE 63 Cb 0.00 -1.11 0.02 0.00 -1.58 0.00 0.00 42.46 39.80 2kug s ILE 63 CO -0.08 0.37 0.39 1.51 -1.23 0.00 0.00 174.94 175.90 2kug s ASP 64 N 0.41 4.69 0.11 3.58 1.47 -1.26 -0.81 116.67 124.86 2kug s ASP 64 Ca -0.11 -1.14 -0.23 0.00 1.18 0.00 0.00 52.55 52.25 2kug s ASP 64 Cb -0.14 0.16 -0.07 0.00 -0.34 0.00 0.00 42.92 42.53 2kug s ASP 64 CO 0.03 -0.98 1.68 0.15 0.68 0.00 0.00 175.17 176.73 2kug h PHE 65 N 0.85 -0.33 -0.84 2.11 3.57 -1.98 0.28 116.94 120.59 2kug h PHE 65 Ca -0.38 0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.34 2kug h PHE 65 Cb 1.29 0.15 -0.15 0.00 2.79 0.00 0.00 35.95 40.03 2kug h PHE 65 CO 0.85 -0.19 0.08 -1.35 -2.23 0.00 0.00 178.31 175.47 2kug h PRO 66 N -0.21 0.11 -0.03 6.41 0.11 -1.99 0.18 132.00 136.58 2kug h PRO 66 Ca 0.05 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 2kug h PRO 66 Cb 0.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2kug h PRO 66 CO -0.14 0.08 -0.51 0.93 -0.21 0.00 0.00 178.00 178.15 2kug h GLU 67 N 0.12 0.08 -0.38 1.05 5.08 -1.81 -1.65 114.58 117.07 2kug h GLU 67 Ca 0.49 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.73 2kug h GLU 67 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2kug h GLU 67 CO -0.72 0.57 -0.06 0.35 -1.00 0.00 0.00 179.01 178.15 2kug h PHE 68 N 0.06 0.79 -0.63 4.33 3.57 0.38 -2.79 116.94 122.65 2kug h PHE 68 Ca -0.00 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.26 2kug h PHE 68 Cb 0.92 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 2kug h PHE 68 CO 0.01 0.84 0.08 1.25 -2.23 0.00 0.00 178.31 178.25 2kug h LEU 69 N 0.52 1.01 -0.91 0.59 5.85 -0.34 -0.70 115.31 121.33 2kug h LEU 69 Ca 0.10 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2kug h LEU 69 Cb 0.56 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2kug h LEU 69 CO 0.03 1.02 0.60 0.71 -0.34 0.00 0.00 178.44 180.46 2kug h THR 70 N 0.98 1.21 -0.58 1.05 1.35 -1.32 0.22 112.91 115.83 2kug h THR 70 Ca 0.19 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 2kug h THR 70 Cb 0.46 -0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 66.75 2kug h THR 70 CO 0.02 0.22 0.26 -0.03 -0.25 0.00 0.00 175.52 175.74 2kug h MET 71 N 1.21 0.84 -0.25 4.72 1.85 -1.25 -1.61 114.93 120.44 2kug h MET 71 Ca 0.34 -0.14 0.05 0.00 -0.61 0.00 0.00 59.70 59.34 2kug h MET 71 Cb -0.11 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 31.77 2kug h MET 71 CO -0.08 0.70 0.17 0.52 -0.40 0.00 0.00 176.91 177.82 2kug h MET 72 N 0.79 0.11 -0.07 0.39 2.07 -0.40 -0.17 114.93 117.64 2kug h MET 72 Ca 0.20 -0.01 -0.08 0.00 -2.07 0.00 0.00 59.70 57.74 2kug h MET 72 Cb 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 2kug h MET 72 CO -0.02 0.07 -0.34 0.00 1.07 0.00 0.00 176.91 177.69 2kug h ALA 73 N 1.87 1.31 -0.08 6.32 0.00 0.37 -3.09 119.26 125.96 2kug h ALA 73 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2kug h ALA 73 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kug h ALA 73 CO -0.01 0.49 -0.13 0.00 0.00 0.00 0.00 179.25 179.60 2kug h ARG 74 N 0.11 0.22 -7.12 0.00 2.47 -0.58 -3.44 114.38 106.05 2kug h ARG 74 Ca 0.01 -0.14 -0.51 0.00 -1.26 0.00 0.00 59.98 58.09 2kug h ARG 74 Cb 0.66 0.01 0.09 0.00 -1.65 0.00 0.00 29.97 29.09 2kug h ARG 74 CO 0.05 0.70 0.43 0.21 0.56 0.00 0.00 179.97 181.92 2kug s LYS 75 N -4.06 3.06 0.00 0.04 2.20 -0.25 -5.13 119.74 115.60 2kug s LYS 75 Ca -0.15 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 2kug s LYS 75 Cb 0.03 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 2kug s LYS 75 CO 0.73 -1.09 0.00 0.00 -0.36 0.00 0.00 175.35 174.63