#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 0.27 0.00 3.32 -2.05 -3.43 116.42 114.53 2kug h ASP 2 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 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 0.13 -0.13 1.56 -1.72 0.00 0.00 179.24 179.08 2kug h GLN 3 N -0.20 -0.35 0.00 3.56 1.08 -2.02 -3.49 115.11 113.69 2kug h GLN 3 Ca 0.00 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 2kug h GLN 3 Cb 0.06 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2kug h GLN 3 CO 0.00 -0.23 0.02 1.28 -0.95 0.00 0.00 178.83 178.95 2kug n LEU 4 N -4.84 0.00 -4.66 1.46 7.99 -1.26 -5.09 117.00 110.60 2kug n LEU 4 Ca -0.04 -1.28 -0.32 0.00 -0.01 0.00 0.00 56.01 54.35 2kug n LEU 4 Cb 0.14 1.48 0.15 0.00 -0.11 0.00 0.00 43.42 45.08 2kug n LEU 4 CO 0.11 -0.35 0.64 0.35 -1.51 0.00 0.00 177.39 176.63 2kug n THR 5 N -0.26 0.56 -0.33 -5.08 -2.24 -1.26 -4.56 114.28 101.11 2kug n THR 5 Ca -0.02 -0.07 0.36 0.00 -2.27 0.00 0.00 64.05 62.05 2kug n THR 5 Cb 0.28 -1.02 0.74 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 -1.60 0.00 0.26 -0.78 4.22 -2.00 -0.58 114.58 114.10 2kug h GLU 6 Ca -0.44 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.99 2kug h GLU 6 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2kug h GLU 6 CO 0.42 0.00 -0.26 0.93 -2.18 0.00 0.00 179.01 177.91 2kug h GLU 7 N 0.00 -0.50 -0.64 1.92 4.39 -1.99 0.40 114.58 118.17 2kug h GLU 7 Ca 0.57 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.35 2kug h GLU 7 Cb 2.36 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 31.08 2kug h GLU 7 CO -0.01 -0.33 0.37 0.37 -1.16 0.00 0.00 179.01 178.25 2kug h GLN 8 N -0.52 0.69 -0.44 2.33 5.75 -1.45 0.10 115.11 121.58 2kug h GLN 8 Ca -0.03 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 2kug h GLN 8 Cb 0.45 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 28.78 2kug h GLN 8 CO -0.04 0.46 0.02 0.82 -2.65 0.00 0.00 178.83 177.44 2kug h ILE 9 N 0.72 0.69 -0.20 2.39 2.04 -1.32 0.83 117.51 122.65 2kug h ILE 9 Ca 0.27 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 66.12 2kug h ILE 9 Cb 0.10 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2kug h ILE 9 CO -0.14 0.02 -0.02 0.00 0.00 0.00 0.00 178.15 178.02 2kug h ALA 10 N 1.37 0.16 -0.79 1.87 0.00 0.13 0.73 119.26 122.73 2kug h ALA 10 Ca 0.22 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2kug h ALA 10 Cb 0.31 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2kug h ALA 10 CO -0.34 -0.45 0.52 0.93 0.00 0.00 0.00 179.25 179.90 2kug h GLU 11 N 0.04 0.76 -0.35 0.00 3.07 -0.53 0.16 114.58 117.73 2kug h GLU 11 Ca 0.10 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 2kug h GLU 11 Cb 0.13 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2kug h GLU 11 CO -0.18 0.50 0.14 0.74 -1.40 0.00 0.00 179.01 178.82 2kug h PHE 12 N 0.78 0.48 -0.49 4.33 0.04 0.13 0.35 116.94 122.57 2kug h PHE 12 Ca 0.35 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.07 2kug h PHE 12 Cb 0.35 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2kug h PHE 12 CO -0.00 0.38 0.15 -0.22 -0.60 0.00 0.00 178.31 178.02 2kug h LYS 13 N 0.49 0.77 -0.79 1.51 3.11 0.11 -0.66 116.57 121.12 2kug h LYS 13 Ca 0.12 -0.17 -0.02 0.00 -2.81 0.00 0.00 60.65 57.77 2kug h LYS 13 Cb 0.10 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.18 2kug h LYS 13 CO -0.01 0.73 0.39 0.93 -2.81 0.00 0.00 179.45 178.68 2kug h GLU 14 N 0.67 1.11 -0.47 1.90 4.39 0.48 -1.80 114.58 120.86 2kug h GLU 14 Ca 0.16 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2kug h GLU 14 Cb 0.29 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2kug h GLU 14 CO -0.00 0.84 0.21 0.00 -1.16 0.00 0.00 179.01 178.90 2kug h ALA 15 N 1.32 1.49 -0.32 3.43 0.00 -0.11 -1.11 119.26 123.96 2kug h ALA 15 Ca 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2kug h ALA 15 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kug h ALA 15 CO -0.04 0.40 0.20 0.35 0.00 0.00 0.00 179.25 180.17 2kug h PHE 16 N 0.66 0.39 -0.55 0.00 3.57 -0.30 -1.14 116.94 119.57 2kug h PHE 16 Ca 0.17 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.73 2kug h PHE 16 Cb 0.09 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 2kug h PHE 16 CO 0.01 0.24 0.26 1.03 -2.23 0.00 0.00 178.31 177.61 2kug h SER 17 N 0.42 0.34 -0.07 0.41 0.87 -0.62 -0.32 113.55 114.57 2kug h SER 17 Ca 0.12 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2kug h SER 17 Cb -0.03 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kug h SER 17 CO -0.04 0.23 0.07 -0.07 -0.53 0.00 0.00 176.83 176.49 2kug h LEU 18 N 0.49 0.00 0.04 2.23 3.38 -0.91 -2.97 115.31 117.57 2kug h LEU 18 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2kug h LEU 18 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kug h LEU 18 CO -0.20 0.00 -0.02 -0.26 0.09 0.00 0.00 178.44 178.05 2kug h PHE 19 N 0.00 -0.05 -1.95 1.13 0.04 0.13 -3.38 116.94 112.86 2kug h PHE 19 Ca 0.03 -0.00 -0.76 0.00 2.80 0.00 0.00 57.97 60.04 2kug h PHE 19 Cb 0.17 0.02 -0.19 0.00 2.20 0.00 0.00 35.95 38.15 2kug h PHE 19 CO 0.00 0.24 1.57 -3.47 -0.60 0.00 0.00 178.31 176.06 2kug n ASP 20 N -4.78 5.35 0.28 2.17 2.03 -0.28 -4.76 116.55 116.56 2kug n ASP 20 Ca -0.04 -3.12 0.15 0.00 0.52 0.00 0.00 54.79 52.31 2kug n ASP 20 Cb 0.16 -1.47 0.84 0.00 -0.72 0.00 0.00 41.12 39.93 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 6.11 0.00 0.00 -0.67 -0.00 -1.73 -1.44 116.57 118.84 2kug h LYS 21 Ca 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.93 2kug h LYS 21 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.93 2kug h LYS 21 CO 1.45 0.07 -0.77 0.38 -0.00 0.00 0.00 179.45 180.57 2kug h ASP 22 N 0.00 0.00 -1.90 7.07 3.04 -1.88 -3.48 116.42 119.27 2kug h ASP 22 Ca -0.00 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.55 2kug h ASP 22 Cb 0.21 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.50 2kug h ASP 22 CO 0.01 0.22 -0.31 0.61 -2.04 0.00 0.00 179.24 177.73 2kug n GLY 23 N 1.22 -0.09 0.00 7.15 0.00 -0.54 -4.93 105.19 107.99 2kug n GLY 23 Ca -0.01 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.34 0.00 -0.42 1.61 5.68 -1.26 -4.90 116.55 116.92 2kug n ASP 24 Ca -0.12 -0.49 -0.06 0.00 -0.50 0.00 0.00 54.79 53.62 2kug n ASP 24 Cb 0.60 -0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 40.41 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 0.90 0.80 3.09 6.12 0.00 -1.26 -5.02 105.19 109.81 2kug n GLY 25 Ca 0.17 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.15 -0.60 -0.28 2.61 -4.23 -1.26 -4.78 115.64 104.95 2kug s THR 26 Ca 0.00 0.09 -0.27 0.00 -1.18 0.00 0.00 61.69 60.33 2kug s THR 26 Cb 0.00 -0.69 0.01 0.00 1.34 0.00 0.00 72.50 73.16 2kug s THR 26 CO 0.00 -0.00 0.97 -0.63 -0.54 0.00 0.00 174.62 174.42 2kug s ILE 27 N 2.56 4.66 0.68 2.99 1.01 0.25 -4.89 121.20 128.45 2kug s ILE 27 Ca 0.04 1.67 -0.05 0.00 0.00 0.00 0.00 60.65 62.31 2kug s ILE 27 Cb -0.13 -4.29 0.06 0.00 0.01 0.00 0.00 42.46 38.10 2kug s ILE 27 CO -0.13 -0.30 0.98 0.42 0.00 0.00 0.00 174.94 175.91 2kug s THR 28 N 3.28 2.33 0.19 2.92 -4.23 -1.26 -1.79 115.64 117.07 2kug s THR 28 Ca 0.41 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.48 2kug s THR 28 Cb -0.14 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.81 2kug s THR 28 CO 0.11 0.00 1.75 0.71 -0.54 0.00 0.00 174.62 176.65 2kug h THR 29 N -0.51 1.24 -0.66 3.99 1.35 -1.85 0.44 112.91 116.91 2kug h THR 29 Ca -0.44 -0.72 -0.02 0.00 -0.55 0.00 0.00 66.41 64.68 2kug h THR 29 Cb 1.31 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 2kug h THR 29 CO 0.59 0.29 0.35 0.50 -0.25 0.00 0.00 175.52 177.00 2kug h LYS 30 N 0.93 0.92 -0.90 4.72 1.63 -1.93 -0.56 116.57 121.38 2kug h LYS 30 Ca 0.22 -0.11 0.07 0.00 -0.85 0.00 0.00 60.65 59.97 2kug h LYS 30 Cb 0.19 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 2kug h LYS 30 CO -0.02 0.71 0.59 0.93 -3.45 0.00 0.00 179.45 178.20 2kug h GLU 31 N 0.90 0.99 -0.96 1.90 5.08 -1.64 -0.95 114.58 119.89 2kug h GLU 31 Ca 0.23 -0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.70 2kug h GLU 31 Cb 0.06 -0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.00 2kug h GLU 31 CO -0.04 0.65 0.61 1.25 -1.00 0.00 0.00 179.01 180.48 2kug h LEU 32 N 1.02 0.71 -0.06 1.33 7.12 0.14 0.32 115.31 125.88 2kug h LEU 32 Ca 0.39 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.50 2kug h LEU 32 Cb 0.21 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.22 2kug h LEU 32 CO -0.15 0.31 -0.23 1.23 -0.13 0.00 0.00 178.44 179.48 2kug h GLY 33 N 0.73 -0.29 0.42 3.75 0.00 -0.20 0.28 103.07 107.75 2kug h GLY 33 Ca 0.51 0.28 0.09 0.00 0.00 0.00 0.00 47.33 48.20 2kug h GLY 33 CO -0.27 -0.20 0.22 -0.84 0.00 0.00 0.00 176.54 175.46 2kug h THR 34 N -0.33 0.78 0.01 4.70 2.02 -0.30 0.14 112.91 119.93 2kug h THR 34 Ca 0.08 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2kug h THR 34 Cb 0.44 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2kug h THR 34 CO -0.25 0.07 -0.04 0.58 0.37 0.00 0.00 175.52 176.26 2kug h VAL 35 N 0.41 0.00 -0.85 3.16 2.07 0.37 1.07 116.25 122.48 2kug h VAL 35 Ca 0.30 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.84 2kug h VAL 35 Cb 0.35 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 2kug h VAL 35 CO -0.29 0.00 0.56 0.24 0.02 0.00 0.00 177.57 178.10 2kug h MET 36 N -0.06 1.05 -0.02 1.57 2.86 -0.52 0.29 114.93 120.10 2kug h MET 36 Ca -0.00 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2kug h MET 36 Cb 0.06 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2kug h MET 36 CO -0.02 0.70 -0.16 -0.09 1.06 0.00 0.00 176.91 178.40 2kug h ARG 37 N 1.09 0.03 0.00 1.72 9.65 -0.64 -2.88 114.38 123.35 2kug h ARG 37 Ca 0.33 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 59.06 2kug h ARG 37 Cb -0.02 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 2kug h ARG 37 CO -0.09 0.19 -0.71 0.66 2.80 0.00 0.00 179.97 182.81 2kug h SER 38 N 0.03 0.00 0.15 -3.80 4.64 0.33 -1.36 113.55 113.54 2kug h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kug h SER 38 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2kug h SER 38 CO 0.02 0.71 0.00 0.18 -0.87 0.00 0.00 176.83 176.88 2kug n LEU 39 N -3.58 0.00 -0.90 5.97 4.32 -0.96 -4.87 117.00 116.97 2kug n LEU 39 Ca -0.00 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 2kug n LEU 39 Cb 0.72 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 2kug n LEU 39 CO 0.43 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 2kug n GLY 40 N 0.40 0.44 3.62 -0.72 0.00 -0.52 -5.12 105.19 103.30 2kug n GLY 40 Ca 0.14 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.60 1.62 -0.29 1.61 -1.52 -1.11 -5.00 119.66 112.36 2kug s GLN 41 Ca 0.00 -1.26 -0.01 0.00 -1.95 0.00 0.00 55.36 52.14 2kug s GLN 41 Cb 0.00 0.49 0.09 0.00 -0.22 0.00 0.00 33.01 33.37 2kug s GLN 41 CO 0.00 -0.68 0.09 1.21 -0.25 0.00 0.00 175.29 175.66 2kug s ASN 42 N -3.02 3.86 0.35 5.90 3.84 -1.26 -4.03 114.94 120.58 2kug s ASN 42 Ca 0.22 -1.51 -0.15 0.00 0.21 0.00 0.00 52.86 51.63 2kug s ASN 42 Cb -0.01 -0.80 -0.09 0.00 -0.55 0.00 0.00 41.25 39.80 2kug s ASN 42 CO 0.10 -0.40 0.76 -2.16 -2.79 0.00 0.00 177.10 172.61 2kug s PRO 43 N 1.68 3.98 0.59 0.43 0.04 -1.26 -5.07 135.00 135.39 2kug s PRO 43 Ca 0.08 0.67 -0.06 0.00 0.04 0.00 0.00 61.00 61.73 2kug s PRO 43 Cb -0.17 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.98 2kug s PRO 43 CO -0.24 0.10 0.91 0.99 0.04 0.00 0.00 177.00 178.79 2kug s THR 44 N -2.09 3.70 0.28 1.26 2.01 -1.26 -4.91 115.64 114.63 2kug s THR 44 Ca 0.54 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.60 2kug s THR 44 Cb -0.10 -3.47 0.27 0.00 0.01 0.00 0.00 72.50 69.21 2kug s THR 44 CO 0.20 -0.49 1.80 -0.33 -0.69 0.00 0.00 174.62 175.11 2kug h GLU 45 N -0.18 0.83 -0.44 4.92 5.08 -2.01 0.21 114.58 122.99 2kug h GLU 45 Ca -0.45 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.89 2kug h GLU 45 Cb 1.25 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 2kug h GLU 45 CO 0.61 0.55 0.22 0.00 -1.00 0.00 0.00 179.01 179.39 2kug h ALA 46 N 1.56 0.55 -0.08 3.43 0.00 -2.00 -0.57 119.26 122.15 2kug h ALA 46 Ca 0.50 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.45 2kug h ALA 46 Cb 0.61 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kug h ALA 46 CO -0.31 -0.13 0.10 0.93 0.00 0.00 0.00 179.25 179.83 2kug h GLU 47 N 0.44 0.00 -0.15 0.00 5.08 -0.97 0.19 114.58 119.17 2kug h GLU 47 Ca 0.19 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2kug h GLU 47 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2kug h GLU 47 CO -0.13 0.00 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.54 2kug h LEU 48 N 0.00 0.50 -0.66 1.33 4.07 -0.38 0.11 115.31 120.28 2kug h LEU 48 Ca 0.04 -0.54 -0.08 0.00 0.08 0.00 0.00 57.88 57.38 2kug h LEU 48 Cb 0.23 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 2kug h LEU 48 CO -0.00 0.94 0.10 -0.61 -1.08 0.00 0.00 178.44 177.79 2kug h GLN 49 N 0.07 1.10 0.08 1.13 5.75 -1.00 -3.00 115.11 119.25 2kug h GLN 49 Ca 0.01 -0.30 -0.12 0.00 -0.15 0.00 0.00 58.65 58.10 2kug h GLN 49 Cb 0.85 -0.13 0.01 0.00 1.07 0.00 0.00 27.48 29.28 2kug h GLN 49 CO 0.06 1.01 -0.52 -0.44 -2.65 0.00 0.00 178.83 176.30 2kug h ASP 50 N 1.02 0.28 -0.98 -0.69 5.19 -0.72 -2.13 116.42 118.39 2kug h ASP 50 Ca 0.20 -0.96 0.11 0.00 -0.62 0.00 0.00 57.03 55.75 2kug h ASP 50 Cb 0.45 -0.09 -0.08 0.00 0.18 0.00 0.00 39.33 39.79 2kug h ASP 50 CO 0.01 1.25 0.62 0.24 -3.12 0.00 0.00 179.24 178.24 2kug h MET 51 N -0.63 0.97 0.73 3.56 2.86 -0.88 0.31 114.93 121.85 2kug h MET 51 Ca -0.09 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 2kug h MET 51 Cb 1.39 -0.22 0.01 0.00 0.06 0.00 0.00 31.60 32.84 2kug h MET 51 CO 0.09 0.64 -0.35 0.82 1.06 0.00 0.00 176.91 179.17 2kug h ILE 52 N 1.00 0.15 -0.44 -1.22 2.04 -1.59 -3.15 117.51 114.29 2kug h ILE 52 Ca 0.47 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 66.17 2kug h ILE 52 Cb 0.43 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2kug h ILE 52 CO -0.23 0.01 0.29 -1.13 0.00 0.00 0.00 178.15 177.10 2kug h ASN 53 N -1.16 0.33 0.35 1.72 -1.24 -0.66 0.29 115.58 115.20 2kug h ASN 53 Ca -0.10 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.88 2kug h ASN 53 Cb 0.77 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 2kug h ASN 53 CO 0.16 0.22 -0.14 1.05 -1.29 0.00 0.00 177.43 177.43 2kug h GLU 54 N 0.38 0.00 -0.06 6.67 4.11 -0.48 -2.88 114.58 122.31 2kug h GLU 54 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 2kug h GLU 54 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2kug h GLU 54 CO -0.04 0.14 0.00 1.33 0.07 0.00 0.00 179.01 180.51 2kug n VAL 55 N -3.77 1.61 -2.97 -1.06 0.24 0.67 -4.99 118.33 108.05 2kug n VAL 55 Ca -0.02 -1.74 -0.42 0.00 -2.04 0.00 0.00 64.34 60.12 2kug n VAL 55 Cb 0.25 0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 32.60 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 -2.05 6.60 0.13 -1.34 2.15 0.66 -4.86 116.67 117.97 2kug s ASP 56 Ca 0.23 0.53 0.15 0.00 0.43 0.00 0.00 52.55 53.90 2kug s ASP 56 Cb 0.19 -2.39 -0.08 0.00 -0.30 0.00 0.00 42.92 40.34 2kug s ASP 56 CO 0.04 -0.63 1.05 0.00 -0.17 0.00 0.00 175.17 175.46 2kug h ALA 57 N 8.24 0.64 0.00 3.66 0.00 -1.89 -3.33 119.26 126.58 2kug h ALA 57 Ca -0.25 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2kug h ALA 57 Cb 1.10 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kug h ALA 57 CO 0.88 0.88 -0.88 -0.40 0.00 0.00 0.00 179.25 179.73 2kug n ASP 58 N -3.04 0.64 0.00 0.00 5.68 -1.26 -4.96 116.55 113.61 2kug n ASP 58 Ca -0.06 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 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 1.36 0.43 0.14 6.12 0.00 -1.25 -4.92 105.19 107.06 2kug n GLY 59 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.24 -0.00 1.61 -1.07 -1.93 -3.48 115.58 110.96 2kug h ASN 60 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.19 2kug h ASN 60 Cb 0.16 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 2kug h ASN 60 CO 0.00 0.95 0.00 0.61 0.07 0.00 0.00 177.43 179.06 2kug n GLY 61 N 0.72 1.83 3.34 9.14 0.00 -1.26 -5.12 105.19 113.83 2kug n GLY 61 Ca -0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.04 2.61 -4.23 -1.26 -4.69 115.64 106.09 2kug s THR 62 Ca 0.00 -0.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 2kug s THR 62 Cb 0.00 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2kug s THR 62 CO 0.00 -0.32 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.94 2kug s ILE 63 N -3.83 1.53 0.55 2.99 -1.09 -0.74 -4.86 121.20 115.76 2kug s ILE 63 Ca 0.05 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.73 2kug s ILE 63 Cb 0.02 -1.30 0.04 0.00 -1.58 0.00 0.00 42.46 39.64 2kug s ILE 63 CO -0.10 0.44 0.37 1.51 -1.23 0.00 0.00 174.94 175.93 2kug s ASP 64 N -0.09 4.57 0.12 3.58 1.47 -1.26 -0.59 116.67 124.47 2kug s ASP 64 Ca -0.01 -1.32 -0.22 0.00 1.18 0.00 0.00 52.55 52.17 2kug s ASP 64 Cb -0.11 0.52 -0.05 0.00 -0.34 0.00 0.00 42.92 42.94 2kug s ASP 64 CO 0.02 -1.13 1.69 0.15 0.68 0.00 0.00 175.17 176.58 2kug h PHE 65 N 0.77 -0.23 -0.81 2.11 3.57 -1.98 0.32 116.94 120.70 2kug h PHE 65 Ca -0.37 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.34 2kug h PHE 65 Cb 1.31 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 40.04 2kug h PHE 65 CO 1.08 -0.14 0.23 -1.35 -2.23 0.00 0.00 178.31 175.90 2kug h PRO 66 N -0.11 0.27 -0.38 6.41 0.11 -1.99 0.18 132.00 136.48 2kug h PRO 66 Ca 0.07 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.03 2kug h PRO 66 Cb 0.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2kug h PRO 66 CO -0.17 0.18 -0.30 0.93 -0.21 0.00 0.00 178.00 178.42 2kug h GLU 67 N 0.28 0.88 -0.84 1.05 5.08 -1.88 -2.18 114.58 116.96 2kug h GLU 67 Ca 0.48 -0.44 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2kug h GLU 67 Cb 0.88 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 2kug h GLU 67 CO -0.56 1.08 0.51 0.35 -1.00 0.00 0.00 179.01 179.39 2kug h PHE 68 N 0.69 0.94 -0.69 4.33 3.57 0.34 -0.28 116.94 125.84 2kug h PHE 68 Ca 0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2kug h PHE 68 Cb 0.88 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2kug h PHE 68 CO 0.06 0.45 0.20 1.25 -2.23 0.00 0.00 178.31 178.05 2kug h LEU 69 N 0.91 1.01 -0.93 0.59 5.85 -0.31 0.17 115.31 122.60 2kug h LEU 69 Ca 0.38 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2kug h LEU 69 Cb 0.22 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2kug h LEU 69 CO -0.19 0.96 0.52 0.71 -0.34 0.00 0.00 178.44 180.09 2kug h THR 70 N 1.01 1.26 -0.82 1.05 1.35 -0.70 -0.88 112.91 115.18 2kug h THR 70 Ca 0.22 -0.62 0.04 0.00 -0.55 0.00 0.00 66.41 65.50 2kug h THR 70 Cb 0.32 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.69 2kug h THR 70 CO -0.00 0.29 0.52 -0.03 -0.25 0.00 0.00 175.52 176.04 2kug h MET 71 N 1.28 0.96 -0.57 4.72 1.85 -0.69 -1.76 114.93 120.72 2kug h MET 71 Ca 0.32 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.36 2kug h MET 71 Cb 0.00 -0.22 -0.03 0.00 0.43 0.00 0.00 31.60 31.79 2kug h MET 71 CO -0.05 0.64 0.38 0.52 -0.40 0.00 0.00 176.91 177.99 2kug h MET 72 N 0.99 0.74 -0.73 0.39 2.07 0.23 0.21 114.93 118.84 2kug h MET 72 Ca 0.34 -0.04 0.04 0.00 -2.07 0.00 0.00 59.70 57.96 2kug h MET 72 Cb 0.05 -0.17 -0.04 0.00 -1.87 0.00 0.00 31.60 29.58 2kug h MET 72 CO -0.13 0.49 0.48 0.00 1.07 0.00 0.00 176.91 178.82 2kug h ALA 73 N 1.65 1.59 0.00 6.32 0.00 -0.31 0.08 119.26 128.59 2kug h ALA 73 Ca 0.21 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2kug h ALA 73 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2kug h ALA 73 CO -0.05 0.33 -0.35 0.00 0.00 0.00 0.00 179.25 179.18 2kug h ARG 74 N 0.87 0.00 -5.59 0.00 2.47 -0.26 -3.39 114.38 108.48 2kug h ARG 74 Ca 0.29 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.69 2kug h ARG 74 Cb 0.08 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.36 2kug h ARG 74 CO -0.09 0.35 0.93 0.21 0.56 0.00 0.00 179.97 181.94 2kug s LYS 75 N -4.18 2.54 0.00 0.04 2.20 0.02 -5.12 119.74 115.24 2kug s LYS 75 Ca -0.03 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 2kug s LYS 75 Cb 0.14 -5.16 0.00 0.00 -1.51 0.00 0.00 37.83 31.30 2kug s LYS 75 CO 0.72 -3.69 0.00 0.00 -0.36 0.00 0.00 175.35 172.02