#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 0.09 0.00 5.19 -2.04 -3.43 116.42 116.23 2kug h ASP 2 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kug h ASP 2 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2kug h ASP 2 CO 0.00 0.20 -0.04 1.56 -3.12 0.00 0.00 179.24 177.84 2kug h GLN 3 N -0.28 -0.11 0.00 3.56 7.50 -2.02 -3.49 115.11 120.27 2kug h GLN 3 Ca 0.00 0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.07 2kug h GLN 3 Cb 0.13 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 2kug h GLN 3 CO 0.00 0.24 -0.02 1.28 -1.50 0.00 0.00 178.83 178.82 2kug n LEU 4 N -4.82 0.00 -4.62 1.46 7.99 -1.26 -5.10 117.00 110.65 2kug n LEU 4 Ca -0.05 -1.10 -0.32 0.00 -0.01 0.00 0.00 56.01 54.53 2kug n LEU 4 Cb 0.20 1.11 0.15 0.00 -0.11 0.00 0.00 43.42 44.76 2kug n LEU 4 CO 0.16 -0.27 0.54 0.35 -1.51 0.00 0.00 177.39 176.65 2kug n THR 5 N -0.22 0.44 -0.28 -5.08 -2.24 -1.26 -4.14 114.28 101.49 2kug n THR 5 Ca -0.01 -0.09 0.32 0.00 -2.27 0.00 0.00 64.05 62.01 2kug n THR 5 Cb 0.23 -0.96 0.72 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.61 0.03 0.17 -0.78 4.81 -1.99 -0.27 114.58 114.94 2kug h GLU 6 Ca -0.44 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2kug h GLU 6 Cb 1.28 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 2kug h GLU 6 CO 0.41 0.02 -0.29 0.93 -0.73 0.00 0.00 179.01 179.34 2kug h GLU 7 N 0.03 -0.48 -0.47 1.92 5.08 -1.99 0.14 114.58 118.81 2kug h GLU 7 Ca 0.53 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.99 2kug h GLU 7 Cb 2.05 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 31.34 2kug h GLU 7 CO -0.03 -0.32 0.12 0.37 -1.00 0.00 0.00 179.01 178.15 2kug h GLN 8 N -0.49 0.25 -0.54 2.33 5.75 -1.38 0.11 115.11 121.14 2kug h GLN 8 Ca -0.02 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.57 2kug h GLN 8 Cb 0.46 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 28.87 2kug h GLN 8 CO -0.11 0.17 0.05 0.82 -2.65 0.00 0.00 178.83 177.11 2kug h ILE 9 N 0.26 0.61 -0.13 2.39 2.04 -1.37 0.23 117.51 121.54 2kug h ILE 9 Ca 0.23 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.07 2kug h ILE 9 Cb 0.28 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2kug h ILE 9 CO -0.28 0.03 -0.10 0.00 0.00 0.00 0.00 178.15 177.80 2kug h ALA 10 N 1.46 0.01 -0.02 1.87 0.00 0.15 0.16 119.26 122.89 2kug h ALA 10 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2kug h ALA 10 Cb 0.42 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2kug h ALA 10 CO -0.42 -0.55 0.01 0.93 0.00 0.00 0.00 179.25 179.23 2kug h GLU 11 N -0.11 0.03 -0.08 0.00 3.07 -0.29 0.24 114.58 117.44 2kug h GLU 11 Ca 0.08 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2kug h GLU 11 Cb 0.23 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2kug h GLU 11 CO -0.20 0.02 -0.19 0.74 -1.40 0.00 0.00 179.01 177.99 2kug h PHE 12 N 0.03 0.14 -0.50 4.33 0.04 0.13 0.43 116.94 121.54 2kug h PHE 12 Ca 0.01 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 2kug h PHE 12 Cb -0.00 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2kug h PHE 12 CO 0.00 0.32 0.07 -0.22 -0.60 0.00 0.00 178.31 177.88 2kug h LYS 13 N 0.13 0.84 -0.46 1.51 3.11 0.12 -0.43 116.57 121.39 2kug h LYS 13 Ca 0.02 -0.23 -0.03 0.00 -2.81 0.00 0.00 60.65 57.60 2kug h LYS 13 Cb 0.41 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 2kug h LYS 13 CO 0.03 0.84 0.16 0.93 -2.81 0.00 0.00 179.45 178.60 2kug h GLU 14 N 0.71 0.66 -0.41 1.90 4.39 -0.02 -2.31 114.58 119.51 2kug h GLU 14 Ca 0.15 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 2kug h GLU 14 Cb 0.42 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2kug h GLU 14 CO 0.01 0.57 -0.07 0.00 -1.16 0.00 0.00 179.01 178.36 2kug h ALA 15 N 1.53 1.12 -0.16 3.43 0.00 0.01 -2.27 119.26 122.91 2kug h ALA 15 Ca 0.16 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2kug h ALA 15 Cb 0.17 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2kug h ALA 15 CO -0.01 0.56 -0.27 0.35 0.00 0.00 0.00 179.25 179.87 2kug h PHE 16 N 0.64 -0.74 -0.93 0.00 3.57 -0.51 -0.04 116.94 118.94 2kug h PHE 16 Ca 0.12 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.81 2kug h PHE 16 Cb 0.50 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 39.51 2kug h PHE 16 CO 0.02 -0.35 0.59 1.03 -2.23 0.00 0.00 178.31 177.38 2kug h SER 17 N -0.32 0.68 -0.07 0.41 0.87 -1.28 -1.14 113.55 112.69 2kug h SER 17 Ca 0.11 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2kug h SER 17 Cb 0.49 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2kug h SER 17 CO -0.35 0.32 0.04 -0.07 -0.53 0.00 0.00 176.83 176.24 2kug h LEU 18 N 0.70 0.11 0.20 2.23 3.38 -0.44 -2.90 115.31 118.59 2kug h LEU 18 Ca 0.48 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 2kug h LEU 18 Cb 0.79 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2kug h LEU 18 CO -0.24 0.10 -0.10 -0.26 0.09 0.00 0.00 178.44 178.03 2kug h PHE 19 N 0.13 -0.25 -0.71 1.13 0.04 -0.83 -3.40 116.94 113.04 2kug h PHE 19 Ca 0.03 -0.01 -0.65 0.00 2.80 0.00 0.00 57.97 60.15 2kug h PHE 19 Cb 0.02 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 2kug h PHE 19 CO 0.00 -0.16 2.20 -3.47 -0.60 0.00 0.00 178.31 176.28 2kug n ASP 20 N -4.32 4.60 0.23 2.17 2.03 -1.06 -4.73 116.55 115.46 2kug n ASP 20 Ca -0.03 -2.89 0.16 0.00 0.52 0.00 0.00 54.79 52.55 2kug n ASP 20 Cb 0.11 -1.73 0.74 0.00 -0.72 0.00 0.00 41.12 39.52 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 7.62 0.00 0.00 -0.67 -0.00 -1.77 -2.55 116.57 119.20 2kug h LYS 21 Ca 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 61.03 2kug h LYS 21 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 2kug h LYS 21 CO 1.49 0.00 -1.94 -0.40 -0.00 0.00 0.00 179.45 178.60 2kug n ASP 22 N -2.68 0.58 -0.34 7.07 5.68 -1.26 -5.01 116.55 120.58 2kug n ASP 22 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.25 2kug n ASP 22 Cb 0.17 1.72 -0.00 0.00 -1.14 0.00 0.00 41.12 41.87 2kug n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kug n GLY 23 N 1.49 0.33 0.00 6.12 0.00 -0.96 -4.94 105.19 107.23 2kug n GLY 23 Ca -0.08 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 1.40 0.00 -1.10 1.61 5.68 -1.26 -4.88 116.55 117.99 2kug n ASP 24 Ca -0.04 -0.35 -0.11 0.00 -0.50 0.00 0.00 54.79 53.79 2kug n ASP 24 Cb 0.43 -0.17 -0.03 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 0.70 0.56 3.22 6.12 0.00 -1.26 -5.02 105.19 109.52 2kug n GLY 25 Ca 0.14 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.50 -0.68 -0.34 2.61 -4.23 -1.26 -4.82 115.64 104.42 2kug s THR 26 Ca 0.00 0.11 -0.24 0.00 -1.18 0.00 0.00 61.69 60.38 2kug s THR 26 Cb 0.00 -0.73 0.01 0.00 1.34 0.00 0.00 72.50 73.12 2kug s THR 26 CO 0.00 0.03 0.84 -0.63 -0.54 0.00 0.00 174.62 174.31 2kug s ILE 27 N 2.63 4.71 0.64 2.99 1.01 0.18 -4.79 121.20 128.57 2kug s ILE 27 Ca 0.01 1.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.71 2kug s ILE 27 Cb -0.13 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2kug s ILE 27 CO -0.14 -0.38 1.00 0.42 0.00 0.00 0.00 174.94 175.84 2kug s THR 28 N 3.16 3.84 0.21 2.92 -4.23 -1.26 -1.62 115.64 118.65 2kug s THR 28 Ca 0.34 0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 61.11 2kug s THR 28 Cb -0.13 -3.56 0.14 0.00 1.34 0.00 0.00 72.50 70.29 2kug s THR 28 CO 0.15 -0.67 1.86 0.71 -0.54 0.00 0.00 174.62 176.14 2kug h THR 29 N -0.38 1.14 -0.63 3.99 1.35 -1.83 0.07 112.91 116.63 2kug h THR 29 Ca -0.45 -0.32 0.03 0.00 -0.55 0.00 0.00 66.41 65.12 2kug h THR 29 Cb 1.24 0.14 -0.04 0.00 -1.73 0.00 0.00 68.15 67.76 2kug h THR 29 CO 0.62 0.17 0.39 0.50 -0.25 0.00 0.00 175.52 176.95 2kug h LYS 30 N 0.93 0.75 -0.71 4.72 1.63 -1.93 -1.11 116.57 120.85 2kug h LYS 30 Ca 0.27 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 60.08 2kug h LYS 30 Cb -0.05 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.36 2kug h LYS 30 CO -0.08 0.50 0.42 0.93 -3.45 0.00 0.00 179.45 177.76 2kug h GLU 31 N 0.77 0.75 -0.57 1.90 5.08 -1.39 0.04 114.58 121.16 2kug h GLU 31 Ca 0.25 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 2kug h GLU 31 Cb 0.01 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.03 2kug h GLU 31 CO -0.10 0.50 0.23 1.25 -1.00 0.00 0.00 179.01 179.89 2kug h LEU 32 N 0.77 0.26 -0.91 1.33 6.46 -0.53 0.29 115.31 122.98 2kug h LEU 32 Ca 0.31 0.06 0.15 0.00 -0.12 0.00 0.00 57.88 58.28 2kug h LEU 32 Cb 0.16 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.02 2kug h LEU 32 CO -0.17 0.17 0.52 1.23 -0.62 0.00 0.00 178.44 179.57 2kug h GLY 33 N 0.43 1.52 0.22 3.75 0.00 0.10 0.69 103.07 109.78 2kug h GLY 33 Ca 0.28 -0.31 0.10 0.00 0.00 0.00 0.00 47.33 47.40 2kug h GLY 33 CO -0.26 0.00 0.10 -0.84 0.00 0.00 0.00 176.54 175.55 2kug h THR 34 N 0.74 0.65 0.07 4.70 2.02 0.14 0.15 112.91 121.37 2kug h THR 34 Ca 0.49 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.59 2kug h THR 34 Cb 0.66 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2kug h THR 34 CO -0.34 0.04 -0.03 0.58 0.37 0.00 0.00 175.52 176.14 2kug h VAL 35 N 0.23 1.24 -0.81 3.16 2.07 -0.49 0.19 116.25 121.85 2kug h VAL 35 Ca 0.29 -1.37 0.16 0.00 0.82 0.00 0.00 66.70 66.60 2kug h VAL 35 Cb 0.42 2.09 -0.10 0.00 -1.52 0.00 0.00 31.29 32.17 2kug h VAL 35 CO -0.39 0.32 0.34 0.24 0.02 0.00 0.00 177.57 178.11 2kug h MET 36 N -0.74 0.45 -0.60 1.57 2.86 -0.92 0.11 114.93 117.67 2kug h MET 36 Ca -0.01 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2kug h MET 36 Cb 0.60 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2kug h MET 36 CO 0.01 0.30 0.39 -0.09 1.06 0.00 0.00 176.91 178.58 2kug h ARG 37 N 0.47 0.76 -0.24 1.72 9.65 -0.68 -3.07 114.38 122.98 2kug h ARG 37 Ca 0.46 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 59.23 2kug h ARG 37 Cb 0.73 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 2kug h ARG 37 CO -0.43 0.50 -0.10 0.66 2.80 0.00 0.00 179.97 183.40 2kug h SER 38 N 0.78 0.37 0.08 -3.80 4.64 0.18 -0.08 113.55 115.72 2kug h SER 38 Ca 0.23 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2kug h SER 38 Cb -0.05 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2kug h SER 38 CO -0.07 0.51 0.00 0.18 -0.87 0.00 0.00 176.83 176.58 2kug n LEU 39 N -4.25 0.00 -0.43 5.97 4.32 -0.10 -4.81 117.00 117.70 2kug n LEU 39 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2kug n LEU 39 Cb 0.28 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 2kug n LEU 39 CO 0.39 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 2kug n GLY 40 N -0.02 0.67 3.44 -0.72 0.00 -0.07 -5.11 105.19 103.39 2kug n GLY 40 Ca 0.10 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.45 1.64 -0.28 1.61 -1.52 -1.06 -5.03 119.66 113.57 2kug s GLN 41 Ca 0.00 -1.60 -0.03 0.00 -1.95 0.00 0.00 55.36 51.78 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 -0.65 0.11 1.21 -0.25 0.00 0.00 175.29 175.71 2kug s ASN 42 N -3.17 3.58 0.14 5.90 3.84 -1.26 -4.19 114.94 119.79 2kug s ASN 42 Ca 0.31 -1.33 -0.25 0.00 0.21 0.00 0.00 52.86 51.80 2kug s ASN 42 Cb 0.01 -0.52 -0.08 0.00 -0.55 0.00 0.00 41.25 40.12 2kug s ASN 42 CO 0.16 -0.42 0.77 -2.16 -2.79 0.00 0.00 177.10 172.66 2kug s PRO 43 N 1.94 4.54 0.87 0.43 0.04 -1.26 -5.07 135.00 136.49 2kug s PRO 43 Ca 0.08 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 2kug s PRO 43 Cb -0.16 -3.28 0.11 0.00 0.04 0.00 0.00 34.50 31.21 2kug s PRO 43 CO -0.30 0.53 1.10 0.99 0.04 0.00 0.00 177.00 179.36 2kug s THR 44 N -0.98 2.69 0.25 1.26 2.01 -1.26 -4.86 115.64 114.75 2kug s THR 44 Ca 0.36 0.23 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 2kug s THR 44 Cb -0.23 -2.85 0.23 0.00 0.01 0.00 0.00 72.50 69.66 2kug s THR 44 CO 0.26 -0.29 1.73 -0.33 -0.69 0.00 0.00 174.62 175.29 2kug h GLU 45 N -1.38 0.45 -0.40 4.92 5.08 -2.01 0.13 114.58 121.37 2kug h GLU 45 Ca -0.49 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 57.91 2kug h GLU 45 Cb 1.29 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2kug h GLU 45 CO 0.58 0.30 0.02 0.00 -1.00 0.00 0.00 179.01 178.90 2kug h ALA 46 N 1.56 0.38 -0.20 3.43 0.00 -2.00 -0.82 119.26 121.61 2kug h ALA 46 Ca 0.43 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.51 2kug h ALA 46 Cb 0.67 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kug h ALA 46 CO -0.41 -0.38 0.15 0.93 0.00 0.00 0.00 179.25 179.54 2kug h GLU 47 N 0.12 0.00 -0.33 0.00 4.39 -1.10 0.24 114.58 117.91 2kug h GLU 47 Ca 0.20 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 2kug h GLU 47 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2kug h GLU 47 CO -0.31 0.00 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.41 2kug h LEU 48 N 0.00 0.62 -0.18 1.33 4.07 -0.39 0.15 115.31 120.90 2kug h LEU 48 Ca 0.09 -0.35 -0.04 0.00 0.08 0.00 0.00 57.88 57.66 2kug h LEU 48 Cb 0.39 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2kug h LEU 48 CO -0.00 0.82 -0.03 -0.61 -1.08 0.00 0.00 178.44 177.54 2kug h GLN 49 N 0.40 0.34 -0.20 1.13 -0.00 -1.04 -2.99 115.11 112.75 2kug h GLN 49 Ca 0.08 -0.12 -0.19 0.00 -0.00 0.00 0.00 58.65 58.42 2kug h GLN 49 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.00 2kug h GLN 49 CO 0.03 0.59 -0.64 -0.44 0.00 0.00 0.00 178.83 178.37 2kug h ASP 50 N 0.06 0.81 -0.30 -0.69 3.32 -0.57 -0.15 116.42 118.89 2kug h ASP 50 Ca 0.05 -0.47 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 2kug h ASP 50 Cb 0.46 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2kug h ASP 50 CO 0.02 1.24 -0.07 0.24 -1.72 0.00 0.00 179.24 178.95 2kug h MET 51 N 0.52 0.69 0.31 3.56 2.86 -0.79 0.39 114.93 122.46 2kug h MET 51 Ca -0.01 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2kug h MET 51 Cb 1.23 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2kug h MET 51 CO 0.13 0.75 -0.15 0.82 1.06 0.00 0.00 176.91 179.52 2kug h ILE 52 N 0.64 0.70 0.00 -1.22 2.04 -1.45 -3.24 117.51 114.98 2kug h ILE 52 Ca 0.12 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2kug h ILE 52 Cb 0.50 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2kug h ILE 52 CO 0.03 0.11 -0.06 -1.13 0.00 0.00 0.00 178.15 177.10 2kug h ASN 53 N -0.73 0.00 0.35 1.72 -1.24 -0.67 0.33 115.58 115.35 2kug h ASN 53 Ca -0.04 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.91 2kug h ASN 53 Cb 0.49 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 2kug h ASN 53 CO 0.07 0.06 -0.28 1.05 -1.29 0.00 0.00 177.43 177.03 2kug h GLU 54 N 0.00 0.00 -0.23 6.67 4.11 -0.31 -2.90 114.58 121.93 2kug h GLU 54 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kug h GLU 54 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kug h GLU 54 CO 0.01 0.28 0.00 1.33 0.07 0.00 0.00 179.01 180.70 2kug n VAL 55 N -4.05 1.58 -2.98 -1.06 0.24 0.54 -4.98 118.33 107.63 2kug n VAL 55 Ca -0.02 -1.48 -0.41 0.00 -2.04 0.00 0.00 64.34 60.39 2kug n VAL 55 Cb 0.35 0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.57 6.77 0.08 -1.34 2.15 0.85 -4.85 116.67 118.76 2kug s ASP 56 Ca 0.28 0.95 0.17 0.00 0.43 0.00 0.00 52.55 54.38 2kug s ASP 56 Cb 0.21 -2.40 -0.12 0.00 -0.30 0.00 0.00 42.92 40.31 2kug s ASP 56 CO 0.10 -0.42 0.86 0.00 -0.17 0.00 0.00 175.17 175.53 2kug h ALA 57 N 7.63 0.64 0.00 3.66 0.00 -1.89 -3.35 119.26 125.95 2kug h ALA 57 Ca -0.26 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2kug h ALA 57 Cb 1.11 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kug h ALA 57 CO 0.83 0.82 -1.01 -0.40 0.00 0.00 0.00 179.25 179.49 2kug n ASP 58 N -2.87 0.62 -0.01 0.00 5.75 -1.26 -4.97 116.55 113.80 2kug n ASP 58 Ca -0.08 -0.10 -0.00 0.00 -0.01 0.00 0.00 54.79 54.59 2kug n ASP 58 Cb 0.81 0.72 -0.00 0.00 -1.03 0.00 0.00 41.12 41.62 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 1.34 0.45 0.14 6.12 0.00 -1.26 -4.93 105.19 107.06 2kug n GLY 59 Ca 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.13 -0.03 1.61 -1.07 -1.93 -3.48 115.58 110.81 2kug h ASN 60 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.28 2kug h ASN 60 Cb 0.11 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.32 2kug h ASN 60 CO 0.01 0.79 0.00 0.61 0.07 0.00 0.00 177.43 178.91 2kug n GLY 61 N 0.48 1.58 3.41 9.14 0.00 -1.26 -5.11 105.19 113.43 2kug n GLY 61 Ca -0.02 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.03 0.02 -0.01 2.61 -4.23 -1.26 -4.66 115.64 106.08 2kug s THR 62 Ca 0.00 -0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.31 2kug s THR 62 Cb 0.00 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.70 2kug s THR 62 CO 0.00 -0.11 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.13 2kug s ILE 63 N -3.78 1.70 0.37 2.99 -1.09 -0.64 -4.90 121.20 115.84 2kug s ILE 63 Ca 0.03 -0.95 0.03 0.00 -2.23 0.00 0.00 60.65 57.52 2kug s ILE 63 Cb -0.00 -1.42 0.03 0.00 -1.58 0.00 0.00 42.46 39.48 2kug s ILE 63 CO -0.11 0.45 0.21 -0.90 -1.23 0.00 0.00 174.94 173.36 2kug n ASP 64 N 2.47 2.38 -0.05 3.58 5.68 -1.26 -0.64 116.55 128.71 2kug n ASP 64 Ca -0.16 -2.35 -0.09 0.00 -0.50 0.00 0.00 54.79 51.69 2kug n ASP 64 Cb 0.53 0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.75 0.14 -0.64 2.11 3.57 -1.98 0.40 116.94 121.29 2kug h PHE 65 Ca -0.25 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.39 2kug h PHE 65 Cb 0.87 -0.03 -0.12 0.00 2.79 0.00 0.00 35.95 39.46 2kug h PHE 65 CO 0.00 0.07 -0.09 -1.35 -2.23 0.00 0.00 178.31 174.72 2kug h PRO 66 N 0.18 0.04 -0.16 6.41 0.11 -2.00 0.20 132.00 136.79 2kug h PRO 66 Ca 0.09 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.06 2kug h PRO 66 Cb 0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 2kug h PRO 66 CO -0.09 0.03 -0.48 0.93 -0.21 0.00 0.00 178.00 178.19 2kug h GLU 67 N 0.05 0.41 -0.67 1.05 5.08 -1.92 -2.32 114.58 116.27 2kug h GLU 67 Ca 0.32 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2kug h GLU 67 Cb 0.52 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2kug h GLU 67 CO -0.62 0.80 0.28 0.35 -1.00 0.00 0.00 179.01 178.83 2kug h PHE 68 N 0.33 1.00 -0.48 4.33 3.57 0.26 -1.04 116.94 124.92 2kug h PHE 68 Ca 0.02 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.34 2kug h PHE 68 Cb 0.96 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2kug h PHE 68 CO 0.03 0.78 -0.14 1.25 -2.23 0.00 0.00 178.31 178.00 2kug h LEU 69 N 0.94 0.90 -0.58 0.59 5.85 -0.32 0.13 115.31 122.81 2kug h LEU 69 Ca 0.22 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2kug h LEU 69 Cb 0.19 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2kug h LEU 69 CO -0.02 1.04 0.38 0.71 -0.34 0.00 0.00 178.44 180.21 2kug h THR 70 N 0.80 1.15 -0.72 1.05 1.35 -1.20 0.56 112.91 115.90 2kug h THR 70 Ca 0.12 -0.29 0.06 0.00 -0.55 0.00 0.00 66.41 65.75 2kug h THR 70 Cb 0.67 0.31 -0.06 0.00 -1.73 0.00 0.00 68.15 67.34 2kug h THR 70 CO 0.05 0.15 0.41 -0.03 -0.25 0.00 0.00 175.52 175.85 2kug h MET 71 N 0.79 0.72 0.00 4.72 1.85 -0.96 -0.94 114.93 121.12 2kug h MET 71 Ca 0.21 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.24 2kug h MET 71 Cb -0.08 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 31.79 2kug h MET 71 CO -0.04 0.48 -0.09 0.52 -0.40 0.00 0.00 176.91 177.37 2kug h MET 72 N 0.74 0.00 -0.14 0.39 2.07 0.22 0.22 114.93 118.43 2kug h MET 72 Ca 0.32 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.88 2kug h MET 72 Cb 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 2kug h MET 72 CO -0.19 0.09 -0.27 0.00 1.07 0.00 0.00 176.91 177.62 2kug h ALA 73 N 1.91 1.30 0.00 6.32 0.00 0.50 -1.55 119.26 127.73 2kug h ALA 73 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kug h ALA 73 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kug h ALA 73 CO 0.01 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.28 2kug n ARG 74 N -4.15 0.04 -1.94 0.00 5.12 0.76 -4.58 116.66 111.91 2kug n ARG 74 Ca -0.01 0.34 -0.25 0.00 -1.93 0.00 0.00 57.85 56.00 2kug n ARG 74 Cb 0.37 -1.58 -0.05 0.00 -1.16 0.00 0.00 32.46 30.04 2kug n ARG 74 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2kug s LYS 75 N -3.07 2.34 0.00 5.56 2.20 -0.59 -5.13 119.74 121.06 2kug s LYS 75 Ca 0.05 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2kug s LYS 75 Cb 0.08 -4.96 0.00 0.00 -1.51 0.00 0.00 37.83 31.44 2kug s LYS 75 CO 0.24 -3.57 0.00 0.00 -0.36 0.00 0.00 175.35 171.65