#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nku s GLU 2 N 0.00 3.01 0.21 2.12 2.02 -1.26 -4.98 118.70 119.83 1nku s GLU 2 Ca 0.00 -0.83 0.12 0.00 0.02 0.00 0.00 54.97 54.27 1nku s GLU 2 Cb 0.00 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 1nku s GLU 2 CO 0.00 0.48 -0.23 1.03 0.02 0.00 0.00 175.26 176.56 1nku s ARG 3 N -3.21 1.57 0.54 1.61 0.52 -1.26 -3.59 118.95 115.12 1nku s ARG 3 Ca 0.32 -1.58 -0.10 0.00 -0.52 0.00 0.00 55.73 53.85 1nku s ARG 3 Cb -0.10 -1.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.49 1nku s ARG 3 CO 0.25 0.38 0.92 0.00 0.02 0.00 0.00 175.30 176.86 1nku h GLY 5 N 0.19 0.00 0.27 0.00 0.00 -1.95 -2.18 103.07 99.41 1nku h GLY 5 Ca -0.46 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.07 1nku h GLY 5 CO 0.62 0.00 0.60 1.49 0.00 0.00 0.00 176.54 179.25 1nku h TRP 6 N 0.00 0.68 -3.81 5.60 4.06 -1.96 -3.40 115.95 117.11 1nku h TRP 6 Ca 0.02 0.02 -0.53 0.00 2.06 0.00 0.00 58.89 60.46 1nku h TRP 6 Cb 0.36 -0.21 0.09 0.00 -1.00 0.00 0.00 29.16 28.40 1nku h TRP 6 CO 0.00 0.18 0.74 0.14 -3.56 0.00 0.00 178.44 175.94 1nku s VAL 7 N -5.54 2.33 -0.38 1.49 -7.23 -0.82 -4.93 120.40 105.32 1nku s VAL 7 Ca -0.09 0.33 0.09 0.00 -1.81 0.00 0.00 61.98 60.50 1nku s VAL 7 Cb 0.23 -3.21 0.44 0.00 0.56 0.00 0.00 36.38 34.41 1nku s VAL 7 CO 0.79 0.07 1.09 -0.24 -0.31 0.00 0.00 175.10 176.50 1nku n SER 8 N 0.92 3.80 -3.62 4.85 2.88 -1.26 -4.92 113.62 116.26 1nku n SER 8 Ca 0.02 -3.39 -0.22 0.00 -1.33 0.00 0.00 58.87 53.95 1nku n SER 8 Cb 0.40 -0.46 0.06 0.00 -0.75 0.00 0.00 64.21 63.46 1nku n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nku n GLN 9 N -0.43 -6.47 -3.89 -1.46 1.13 -1.26 -4.96 117.38 100.03 1nku n GLN 9 Ca 0.31 0.75 -0.30 0.00 -1.94 0.00 0.00 57.00 55.82 1nku n GLN 9 Cb 0.75 -5.66 -0.14 0.00 0.11 0.00 0.00 30.24 25.30 1nku n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1nku s ASP 10 N -3.87 4.32 0.35 1.08 1.01 -1.26 -4.99 116.67 113.30 1nku s ASP 10 Ca 0.29 -2.33 0.14 0.00 0.71 0.00 0.00 52.55 51.36 1nku s ASP 10 Cb -0.13 -1.37 1.01 0.00 1.01 0.00 0.00 42.92 43.43 1nku s ASP 10 CO 0.77 -0.33 1.72 -0.65 0.21 0.00 0.00 175.17 176.88 1nku h PRO 11 N 7.30 0.45 -0.46 8.23 0.11 -1.97 0.53 132.00 146.18 1nku h PRO 11 Ca -0.06 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 1nku h PRO 11 Cb 0.97 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1nku h PRO 11 CO 0.54 0.30 0.03 1.25 -0.21 0.00 0.00 178.00 179.91 1nku h LEU 12 N 0.46 0.77 -0.12 2.35 5.85 -1.99 0.20 115.31 122.83 1nku h LEU 12 Ca 0.66 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 1nku h LEU 12 Cb 1.45 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1nku h LEU 12 CO -0.45 0.86 -0.12 0.22 -0.34 0.00 0.00 178.44 178.60 1nku h TYR 13 N 0.64 0.36 -0.83 1.25 5.03 -0.95 -2.30 116.97 120.19 1nku h TYR 13 Ca 0.13 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1nku h TYR 13 Cb 0.45 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.61 1nku h TYR 13 CO 0.03 0.71 0.45 0.82 -1.32 0.00 0.00 178.16 178.86 1nku h ILE 14 N -0.09 1.24 -0.67 1.81 2.04 -0.04 0.28 117.51 122.09 1nku h ILE 14 Ca 0.02 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1nku h ILE 14 Cb 0.65 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1nku h ILE 14 CO 0.03 0.27 0.34 0.00 0.00 0.00 0.00 178.15 178.79 1nku h ALA 15 N 1.35 0.86 -0.44 1.87 0.00 -0.54 -1.58 119.26 120.78 1nku h ALA 15 Ca 0.29 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1nku h ALA 15 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1nku h ALA 15 CO -0.05 0.40 -0.07 -0.92 0.00 0.00 0.00 179.25 178.61 1nku h TYR 16 N 0.92 0.82 -0.04 0.00 3.20 -0.73 -1.84 116.97 119.30 1nku h TYR 16 Ca 0.23 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1nku h TYR 16 Cb 0.08 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1nku h TYR 16 CO -0.00 0.80 -0.08 1.25 -1.64 0.00 0.00 178.16 178.48 1nku h HIS 17 N 0.69 -0.21 -0.49 -3.82 2.76 0.45 -1.71 115.15 112.83 1nku h HIS 17 Ca 0.13 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 1nku h HIS 17 Cb 0.53 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 1nku h HIS 17 CO 0.03 -0.13 -0.09 -0.44 -1.30 0.00 0.00 177.93 175.99 1nku h ASP 18 N -0.13 0.93 -0.36 3.26 3.32 -1.23 -3.17 116.42 119.03 1nku h ASP 18 Ca 0.05 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.78 1nku h ASP 18 Cb 0.19 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1nku h ASP 18 CO -0.12 1.06 0.15 -1.13 -1.72 0.00 0.00 179.24 177.48 1nku h ASN 19 N 0.78 0.19 0.00 6.45 -1.24 -1.04 -3.47 115.58 117.24 1nku h ASN 19 Ca 0.13 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1nku h ASN 19 Cb 0.64 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.69 1nku h ASN 19 CO 0.04 0.14 0.00 -0.62 -1.29 0.00 0.00 177.43 175.71 1nku n GLU 20 N -4.99 0.00 -2.77 6.67 1.02 -0.67 -5.07 120.64 114.84 1nku n GLU 20 Ca 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1nku n GLU 20 Cb 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.51 1nku n GLU 20 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1nku n TRP 21 N 0.00 -3.33 0.00 -0.32 -0.00 -1.26 -4.47 117.44 108.07 1nku n TRP 21 Ca 0.00 1.74 0.00 0.00 -0.00 0.00 0.00 57.50 59.24 1nku n TRP 21 Cb 0.00 -3.31 0.00 0.00 -0.00 0.00 0.00 31.31 28.00 1nku n TRP 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1nku n GLY 22 N 1.41 0.67 3.66 5.87 0.00 -1.10 -4.97 105.19 110.75 1nku n GLY 22 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1nku n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nku s VAL 23 N -2.00 4.77 0.00 1.61 1.01 -1.25 -4.12 120.40 120.42 1nku s VAL 23 Ca 0.00 1.87 -0.38 0.00 0.00 0.00 0.00 61.98 63.47 1nku s VAL 23 Cb 0.00 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 31.97 1nku s VAL 23 CO 0.00 -0.08 1.41 -2.65 0.00 0.00 0.00 175.10 173.78 1nku n PRO 24 N 5.76 1.07 -4.88 2.72 -0.02 -1.00 -3.80 135.00 134.85 1nku n PRO 24 Ca 0.09 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1nku n PRO 24 Cb 0.47 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 1nku n PRO 24 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1nku s GLU 25 N 1.11 3.08 0.00 -0.52 2.02 0.24 -4.94 118.70 119.69 1nku s GLU 25 Ca 0.88 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 55.17 1nku s GLU 25 Cb -1.00 -2.51 0.03 0.00 0.10 0.00 0.00 34.13 30.75 1nku s GLU 25 CO 0.52 0.33 0.78 0.25 0.02 0.00 0.00 175.26 177.15 1nku n THR 26 N 3.17 0.45 -2.85 3.63 -2.24 -1.26 -4.97 114.28 110.21 1nku n THR 26 Ca -0.18 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.45 1nku n THR 26 Cb 0.53 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1nku n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nku s ASP 27 N -0.54 6.63 0.26 3.42 1.01 -1.26 -4.91 116.67 121.28 1nku s ASP 27 Ca 0.03 0.48 -0.03 0.00 0.71 0.00 0.00 52.55 53.74 1nku s ASP 27 Cb 0.02 -2.44 0.37 0.00 1.01 0.00 0.00 42.92 41.87 1nku s ASP 27 CO 0.03 -0.83 1.90 0.28 0.21 0.00 0.00 175.17 176.75 1nku h SER 28 N 8.52 1.07 -0.81 0.27 0.02 -1.98 0.21 113.55 120.85 1nku h SER 28 Ca -0.24 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1nku h SER 28 Cb 1.08 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 1nku h SER 28 CO 0.96 0.72 0.51 0.11 -1.14 0.00 0.00 176.83 177.99 1nku h LYS 29 N 1.23 1.09 -0.17 3.45 1.57 -1.99 -0.22 116.57 121.54 1nku h LYS 29 Ca 0.41 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 1nku h LYS 29 Cb 0.06 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1nku h LYS 29 CO -0.14 0.75 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.12 1nku h LYS 30 N 1.11 0.39 -0.23 3.15 3.64 -1.68 -0.83 116.57 122.13 1nku h LYS 30 Ca 0.29 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1nku h LYS 30 Cb -0.08 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1nku h LYS 30 CO -0.06 0.75 0.11 -0.07 -2.27 0.00 0.00 179.45 177.91 1nku h LEU 31 N 0.04 0.17 -0.32 5.20 3.38 -0.70 0.55 115.31 123.63 1nku h LEU 31 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1nku h LEU 31 Cb 0.67 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1nku h LEU 31 CO 0.04 0.13 0.13 0.15 0.09 0.00 0.00 178.44 178.98 1nku h PHE 32 N 0.24 0.48 -0.20 1.13 3.57 -1.05 -2.40 116.94 118.70 1nku h PHE 32 Ca 0.09 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1nku h PHE 32 Cb 0.02 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1nku h PHE 32 CO -0.09 0.45 -0.07 1.49 -2.23 0.00 0.00 178.31 177.85 1nku h GLU 33 N 0.36 0.31 0.13 1.11 4.81 -0.73 -2.54 114.58 118.04 1nku h GLU 33 Ca 0.11 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1nku h GLU 33 Cb 0.17 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1nku h GLU 33 CO -0.01 0.40 -0.06 1.98 -0.73 0.00 0.00 179.01 180.59 1nku h MET 34 N 0.30 -0.17 -0.12 1.92 4.05 0.60 -2.28 114.93 119.23 1nku h MET 34 Ca 0.06 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 1nku h MET 34 Cb 0.33 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1nku h MET 34 CO 0.02 -0.09 -0.28 0.97 0.23 0.00 0.00 176.91 177.75 1nku h ILE 35 N -0.20 1.25 -0.51 1.77 2.10 -1.34 -2.72 117.51 117.85 1nku h ILE 35 Ca -0.02 -1.18 -0.01 0.00 1.08 0.00 0.00 64.86 64.73 1nku h ILE 35 Cb 0.16 1.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.33 1nku h ILE 35 CO 0.03 0.35 0.27 0.00 -1.08 0.00 0.00 178.15 177.72 1nku h LEU 37 N 0.68 0.69 -2.05 0.00 5.85 -1.23 -2.53 115.31 116.72 1nku h LEU 37 Ca 0.18 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1nku h LEU 37 Cb 0.08 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1nku h LEU 37 CO -0.03 0.82 0.06 -0.33 -0.34 0.00 0.00 178.44 178.62 1nku h GLU 38 N 0.65 0.00 -0.94 1.25 4.39 -1.14 -2.08 114.58 116.70 1nku h GLU 38 Ca 0.12 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.04 1nku h GLU 38 Cb 0.54 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.07 1nku h GLU 38 CO 0.03 0.00 0.48 0.78 -1.16 0.00 0.00 179.01 179.14 1nku h GLY 39 N 0.00 1.69 1.39 -3.84 0.00 -1.24 0.61 103.07 101.69 1nku h GLY 39 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1nku h GLY 39 CO -0.00 -0.25 0.19 1.46 0.00 0.00 0.00 176.54 177.94 1nku h GLN 40 N 0.48 0.78 -0.90 4.80 7.50 -1.55 -2.09 115.11 124.13 1nku h GLN 40 Ca 0.59 -0.13 0.18 0.00 0.50 0.00 0.00 58.65 59.80 1nku h GLN 40 Cb 1.12 -0.13 -0.07 0.00 0.05 0.00 0.00 27.48 28.44 1nku h GLN 40 CO -0.50 0.66 0.59 0.37 -1.50 0.00 0.00 178.83 178.45 1nku h GLN 41 N 0.77 0.51 -5.97 1.46 4.15 0.13 -3.39 115.11 112.76 1nku h GLN 41 Ca 0.18 -0.03 -0.74 0.00 0.77 0.00 0.00 58.65 58.83 1nku h GLN 41 Cb 0.19 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1nku h GLN 41 CO -0.01 0.33 1.35 0.00 -1.93 0.00 0.00 178.83 178.57 1nku n ALA 42 N -2.47 0.40 0.00 3.38 0.00 -0.79 0.34 120.51 121.37 1nku n ALA 42 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1nku n ALA 42 Cb 0.62 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1nku n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 43 N 7.27 1.58 0.00 0.00 0.00 -1.26 -5.01 105.19 107.78 1nku n GLY 43 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1nku n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nku n LEU 44 N 0.00 0.00 -4.07 0.99 4.77 1.03 -5.17 117.00 114.55 1nku n LEU 44 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1nku n LEU 44 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1nku n LEU 44 CO 0.00 0.00 -0.35 -0.94 -1.33 0.00 0.00 177.39 174.77 1nku s SER 45 N 0.63 0.45 0.26 -1.43 1.04 -1.26 -4.98 113.70 108.41 1nku s SER 45 Ca 0.00 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 1nku s SER 45 Cb 0.00 0.20 0.52 0.00 0.10 0.00 0.00 66.02 66.84 1nku s SER 45 CO 0.00 -0.58 1.73 -0.25 0.98 0.00 0.00 173.24 175.12 1nku h TRP 46 N 3.27 0.61 -0.60 5.02 2.91 -2.00 -0.34 115.95 124.81 1nku h TRP 46 Ca -0.34 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.71 1nku h TRP 46 Cb 1.15 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.62 1nku h TRP 46 CO 0.54 0.08 0.35 0.97 -1.03 0.00 0.00 178.44 179.34 1nku h ILE 47 N 0.49 1.18 -0.58 2.65 6.09 -2.01 -2.02 117.51 123.31 1nku h ILE 47 Ca 0.45 -0.42 -0.08 0.00 -1.37 0.00 0.00 64.86 63.44 1nku h ILE 47 Cb 0.70 0.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.32 1nku h ILE 47 CO -0.41 0.19 0.03 0.74 -3.07 0.00 0.00 178.15 175.62 1nku h THR 48 N 0.83 1.26 -0.56 2.19 2.02 -1.47 -3.00 112.91 114.18 1nku h THR 48 Ca 0.22 -1.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 1nku h THR 48 Cb -0.01 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1nku h THR 48 CO -0.04 0.39 -0.04 0.58 0.37 0.00 0.00 175.52 176.78 1nku h VAL 49 N 0.91 1.26 0.03 3.16 2.07 -1.01 -2.83 116.25 119.84 1nku h VAL 49 Ca 0.17 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.55 1nku h VAL 49 Cb 0.49 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1nku h VAL 49 CO 0.02 0.42 -0.29 -0.07 0.02 0.00 0.00 177.57 177.67 1nku h LEU 50 N 0.90 -0.84 -0.53 2.57 3.38 -1.30 1.76 115.31 121.26 1nku h LEU 50 Ca 0.16 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1nku h LEU 50 Cb 0.58 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1nku h LEU 50 CO 0.03 -0.36 0.28 0.11 0.09 0.00 0.00 178.44 178.60 1nku h LYS 51 N -0.45 0.53 0.00 1.13 1.57 -1.59 -0.06 116.57 117.70 1nku h LYS 51 Ca 0.05 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1nku h LYS 51 Cb 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1nku h LYS 51 CO -0.22 0.35 -0.28 0.87 -0.57 0.00 0.00 179.45 179.59 1nku h LYS 52 N 0.55 0.00 -0.66 3.15 6.56 -1.08 -2.76 116.57 122.32 1nku h LYS 52 Ca 0.23 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.91 1nku h LYS 52 Cb 0.12 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.70 1nku h LYS 52 CO -0.15 0.28 0.30 -0.09 -2.06 0.00 0.00 179.45 177.73 1nku h ARG 53 N 0.00 0.50 -0.46 3.15 2.43 0.46 1.13 114.38 121.59 1nku h ARG 53 Ca -0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1nku h ARG 53 Cb 0.62 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1nku h ARG 53 CO 0.04 0.33 -0.18 1.49 -1.51 0.00 0.00 179.97 180.14 1nku h GLU 54 N 0.51 0.93 -0.39 0.20 4.81 -1.37 -2.79 114.58 116.48 1nku h GLU 54 Ca 0.33 -0.39 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1nku h GLU 54 Cb 0.37 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1nku h GLU 54 CO -0.28 1.05 -0.05 -0.91 -0.73 0.00 0.00 179.01 178.08 1nku h ASN 55 N 0.77 0.62 -0.16 1.04 -0.26 -0.87 -2.18 115.58 114.53 1nku h ASN 55 Ca 0.11 -0.15 0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1nku h ASN 55 Cb 0.74 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 1nku h ASN 55 CO 0.06 0.73 0.09 0.22 -1.06 0.00 0.00 177.43 177.46 1nku h TYR 56 N 0.60 0.17 0.00 1.19 3.20 0.15 -1.42 116.97 120.86 1nku h TYR 56 Ca 0.12 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1nku h TYR 56 Cb 0.46 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1nku h TYR 56 CO 0.02 0.10 -0.14 0.07 -1.64 0.00 0.00 178.16 176.57 1nku h ARG 57 N 0.19 0.00 -0.70 1.82 0.11 -1.37 0.81 114.38 115.25 1nku h ARG 57 Ca 0.06 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.15 1nku h ARG 57 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 1nku h ARG 57 CO -0.04 0.14 0.46 0.00 0.10 0.00 0.00 179.97 180.63 1nku h ALA 58 N 1.86 0.88 0.07 0.08 0.00 -0.61 2.55 119.26 124.10 1nku h ALA 58 Ca -0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.49 1nku h ALA 58 Cb 0.61 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1nku h ALA 58 CO 0.02 0.32 -2.10 0.00 0.00 0.00 0.00 179.25 177.49 1nku n PHE 60 N -3.34 2.93 -0.32 0.00 3.72 0.28 -4.58 117.46 116.15 1nku n PHE 60 Ca -0.33 -1.69 0.21 0.00 -0.05 0.00 0.00 57.45 55.59 1nku n PHE 60 Cb 1.04 -0.89 0.49 0.00 -0.94 0.00 0.00 39.48 39.18 1nku n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nku h HIS 61 N 1.42 0.70 0.01 1.38 2.76 0.43 -1.54 115.15 120.30 1nku h HIS 61 Ca 0.55 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.70 1nku h HIS 61 Cb 2.75 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 31.50 1nku h HIS 61 CO 1.52 0.08 -0.24 1.96 -1.30 0.00 0.00 177.93 179.96 1nku h GLN 62 N 0.43 0.01 -7.04 5.26 4.20 -1.81 -3.47 115.11 112.70 1nku h GLN 62 Ca 0.59 -0.02 -0.60 0.00 0.06 0.00 0.00 58.65 58.68 1nku h GLN 62 Cb 1.42 0.01 -0.37 0.00 0.30 0.00 0.00 27.48 28.84 1nku h GLN 62 CO -0.30 1.01 -0.87 0.34 -0.67 0.00 0.00 178.83 178.34 1nku n PHE 63 N -4.56 -1.13 -1.92 2.96 7.35 -0.58 -4.81 117.46 114.77 1nku n PHE 63 Ca -0.14 0.66 -0.41 0.00 -0.76 0.00 0.00 57.45 56.80 1nku n PHE 63 Cb 0.53 -1.79 -0.01 0.00 0.35 0.00 0.00 39.48 38.56 1nku n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1nku s ASP 64 N -3.16 6.50 0.03 -2.13 1.01 -1.26 -4.89 116.67 112.77 1nku s ASP 64 Ca 0.80 2.91 -0.25 0.00 0.71 0.00 0.00 52.55 56.72 1nku s ASP 64 Cb -0.47 -2.66 -0.17 0.00 1.01 0.00 0.00 42.92 40.63 1nku s ASP 64 CO 0.98 -0.75 1.40 1.55 0.21 0.00 0.00 175.17 178.56 1nku h PRO 65 N 3.21 -0.21 -0.23 8.23 0.13 -1.98 -0.30 132.00 140.85 1nku h PRO 65 Ca -0.50 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1nku h PRO 65 Cb 1.23 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1nku h PRO 65 CO 0.65 0.07 -0.07 0.28 -0.23 0.00 0.00 178.00 178.70 1nku h VAL 66 N -0.49 1.29 -0.56 1.56 2.07 -1.94 -1.86 116.25 116.31 1nku h VAL 66 Ca -0.02 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1nku h VAL 66 Cb 0.38 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1nku h VAL 66 CO 0.04 0.33 0.22 0.11 0.02 0.00 0.00 177.57 178.30 1nku h LYS 67 N 0.19 0.84 -0.64 1.57 1.57 -1.93 -0.88 116.57 117.29 1nku h LYS 67 Ca 0.06 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1nku h LYS 67 Cb 0.54 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1nku h LYS 67 CO 0.03 0.73 0.10 0.28 -0.57 0.00 0.00 179.45 180.01 1nku h VAL 68 N 0.77 1.26 -0.09 0.50 2.07 -1.01 0.30 116.25 120.06 1nku h VAL 68 Ca 0.19 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1nku h VAL 68 Cb 0.20 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1nku h VAL 68 CO -0.02 0.38 -0.33 0.00 0.02 0.00 0.00 177.57 177.62 1nku h ALA 69 N 1.11 1.29 -0.66 1.67 0.00 -1.05 -2.30 119.26 119.32 1nku h ALA 69 Ca 0.20 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 1nku h ALA 69 Cb 0.43 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.99 1nku h ALA 69 CO 0.01 0.50 0.26 0.00 0.00 0.00 0.00 179.25 180.01 1nku n ALA 70 N -2.48 4.59 -0.96 0.00 0.00 -0.36 -4.81 120.51 116.48 1nku n ALA 70 Ca -0.01 -2.67 -0.31 0.00 0.00 0.00 0.00 53.44 50.44 1nku n ALA 70 Cb 0.41 -1.11 0.13 0.00 0.00 0.00 0.00 19.45 18.87 1nku n ALA 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1nku s MET 71 N -3.11 1.59 0.11 0.00 1.75 1.00 -4.96 119.30 115.68 1nku s MET 71 Ca 0.52 1.41 0.02 0.00 -1.25 0.00 0.00 55.69 56.39 1nku s MET 71 Cb 0.43 -1.80 -0.04 0.00 2.84 0.00 0.00 34.83 36.26 1nku s MET 71 CO 0.09 -2.18 0.19 -0.65 -0.65 0.00 0.00 175.02 171.82 1nku s GLN 72 N -4.70 3.24 0.53 4.11 -0.21 -1.26 -4.98 119.66 116.39 1nku s GLN 72 Ca 0.65 -0.61 0.19 0.00 0.02 0.00 0.00 55.36 55.61 1nku s GLN 72 Cb -0.21 -2.89 1.34 0.00 1.00 0.00 0.00 33.01 32.25 1nku s GLN 72 CO 0.56 0.55 2.12 0.93 -2.12 0.00 0.00 175.29 177.34 1nku h GLU 73 N 2.73 0.00 -0.72 2.91 5.08 -2.01 -0.42 114.58 122.14 1nku h GLU 73 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1nku h GLU 73 Cb 1.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1nku h GLU 73 CO 0.70 0.00 0.46 0.93 -1.00 0.00 0.00 179.01 180.09 1nku h GLU 74 N 0.00 0.96 -0.83 2.33 4.39 -2.00 -1.61 114.58 117.82 1nku h GLU 74 Ca 0.05 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1nku h GLU 74 Cb 0.21 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1nku h GLU 74 CO -0.00 0.66 0.46 -0.44 -1.16 0.00 0.00 179.01 178.52 1nku h ASP 75 N 0.99 1.04 -0.59 1.42 3.32 -1.46 -1.89 116.42 119.25 1nku h ASP 75 Ca 0.26 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.25 1nku h ASP 75 Cb -0.08 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.16 1nku h ASP 75 CO -0.05 0.84 0.33 0.58 -1.72 0.00 0.00 179.24 179.22 1nku h VAL 76 N 1.16 1.00 -0.78 -1.35 2.07 -1.28 -0.60 116.25 116.48 1nku h VAL 76 Ca 0.29 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1nku h VAL 76 Cb 0.03 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1nku h VAL 76 CO -0.05 0.12 0.30 -0.08 0.02 0.00 0.00 177.57 177.88 1nku h GLU 77 N 0.64 1.17 -0.33 1.57 4.81 -1.15 -2.56 114.58 118.73 1nku h GLU 77 Ca 0.25 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1nku h GLU 77 Cb 0.10 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1nku h GLU 77 CO -0.14 0.95 0.04 -0.09 -0.73 0.00 0.00 179.01 179.05 1nku h ARG 78 N 1.13 0.55 -0.53 1.92 2.43 -0.55 -3.06 114.38 116.28 1nku h ARG 78 Ca 0.26 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1nku h ARG 78 Cb 0.23 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1nku h ARG 78 CO -0.02 0.64 0.16 -0.07 -1.51 0.00 0.00 179.97 179.17 1nku h LEU 79 N 0.37 0.72 -1.27 3.80 3.38 -0.99 -1.14 115.31 120.19 1nku h LEU 79 Ca 0.10 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1nku h LEU 79 Cb 0.37 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1nku h LEU 79 CO 0.01 0.69 0.53 0.58 0.09 0.00 0.00 178.44 180.34 1nku h VAL 80 N 0.76 1.05 0.00 1.22 2.07 -1.36 -0.89 116.25 119.11 1nku h VAL 80 Ca 0.17 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1nku h VAL 80 Cb 0.24 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1nku h VAL 80 CO -0.01 0.16 -0.42 1.56 0.02 0.00 0.00 177.57 178.88 1nku h GLN 81 N 0.89 0.00 -5.90 1.57 1.08 -1.38 -3.31 115.11 108.06 1nku h GLN 81 Ca 0.34 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.94 1nku h GLN 81 Cb 0.21 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.54 1nku h GLN 81 CO -0.12 0.03 0.48 0.34 -0.95 0.00 0.00 178.83 178.61 1nku s ASP 82 N -5.91 6.65 0.00 1.46 2.15 -0.34 -4.17 116.67 116.50 1nku s ASP 82 Ca 0.04 0.55 0.00 0.00 0.43 0.00 0.00 52.55 53.57 1nku s ASP 82 Cb 0.07 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1nku s ASP 82 CO 0.72 -0.74 0.00 0.00 -0.17 0.00 0.00 175.17 174.98 1nku n ALA 83 N 6.49 0.00 0.00 3.66 0.00 -1.26 -4.12 120.51 125.28 1nku n ALA 83 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1nku n ALA 83 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1nku n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 84 N -0.57 1.37 3.86 0.00 0.00 -1.25 -4.53 105.19 104.07 1nku n GLY 84 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1nku n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nku n ILE 85 N 0.00 -1.22 -1.34 -0.61 -5.35 -1.26 -4.13 119.36 105.45 1nku n ILE 85 Ca 0.00 -0.29 0.14 0.00 -0.27 0.00 0.00 62.75 62.33 1nku n ILE 85 Cb 0.00 -1.05 -0.08 0.00 -1.74 0.00 0.00 39.64 36.77 1nku n ILE 85 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1nku n ILE 86 N -3.02 -0.92 -1.63 7.28 5.41 -1.26 -4.45 119.36 120.76 1nku n ILE 86 Ca -0.07 0.86 -0.48 0.00 1.00 0.00 0.00 62.75 64.06 1nku n ILE 86 Cb 0.29 -1.30 -0.05 0.00 -0.71 0.00 0.00 39.64 37.87 1nku n ILE 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1nku n ARG 87 N -4.11 1.67 0.00 0.38 1.74 -1.26 -4.77 116.66 110.31 1nku n ARG 87 Ca -0.08 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1nku n ARG 87 Cb 0.59 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1nku n ARG 87 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1nku n HIS 88 N 2.69 0.00 -0.19 -1.55 -0.00 -1.26 -4.82 115.22 110.08 1nku n HIS 88 Ca 0.17 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.32 1nku n HIS 88 Cb 0.25 0.06 0.07 0.00 -0.12 0.00 0.00 29.99 30.25 1nku n HIS 88 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1nku h ARG 89 N 0.00 0.50 -0.05 1.57 2.43 -1.93 2.47 114.38 119.36 1nku h ARG 89 Ca 0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 1nku h ARG 89 Cb 0.96 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1nku h ARG 89 CO 0.00 0.33 -0.28 0.78 -1.51 0.00 0.00 179.97 179.30 1nku h GLY 90 N 0.52 0.31 1.03 2.80 0.00 -2.00 -3.08 103.07 102.65 1nku h GLY 90 Ca 0.26 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1nku h GLY 90 CO -0.20 0.39 0.40 0.50 0.00 0.00 0.00 176.54 177.64 1nku h LYS 91 N -0.24 1.19 -0.84 4.80 1.57 -1.74 -2.17 116.57 119.13 1nku h LYS 91 Ca -0.02 -0.17 0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1nku h LYS 91 Cb 0.93 -0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.95 1nku h LYS 91 CO 0.06 0.91 0.47 0.82 -0.57 0.00 0.00 179.45 181.14 1nku h ILE 92 N 1.17 0.88 -0.63 1.86 2.04 0.42 0.42 117.51 123.67 1nku h ILE 92 Ca 0.28 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1nku h ILE 92 Cb 0.11 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1nku h ILE 92 CO -0.04 0.14 0.42 1.56 0.00 0.00 0.00 178.15 180.23 1nku h GLN 93 N 0.77 0.73 -0.47 2.37 4.20 -1.31 -0.27 115.11 121.14 1nku h GLN 93 Ca 0.41 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 59.00 1nku h GLN 93 Cb 0.42 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1nku h GLN 93 CO -0.27 0.48 -0.03 0.00 -0.67 0.00 0.00 178.83 178.34 1nku h ALA 94 N 1.63 1.06 -0.12 3.87 0.00 0.05 -2.42 119.26 123.33 1nku h ALA 94 Ca 0.25 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1nku h ALA 94 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1nku h ALA 94 CO -0.07 0.58 -0.03 0.82 0.00 0.00 0.00 179.25 180.56 1nku h ILE 95 N 0.73 0.88 -0.24 0.00 1.08 0.27 0.98 117.51 121.21 1nku h ILE 95 Ca 0.14 -0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.64 1nku h ILE 95 Cb 0.49 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 1nku h ILE 95 CO 0.03 0.00 0.06 0.40 -0.69 0.00 0.00 178.15 177.95 1nku h ILE 96 N 0.00 0.91 -0.73 -0.67 5.03 -1.29 -0.87 117.51 119.89 1nku h ILE 96 Ca 0.06 -0.06 -0.04 0.00 -0.12 0.00 0.00 64.86 64.70 1nku h ILE 96 Cb 0.09 0.73 -0.03 0.00 -3.03 0.00 0.00 36.82 34.58 1nku h ILE 96 CO -0.12 0.03 0.30 1.23 -0.68 0.00 0.00 178.15 178.91 1nku h GLY 97 N 0.16 1.17 0.76 5.37 0.00 -0.92 -2.34 103.07 107.27 1nku h GLY 97 Ca 0.11 -0.63 0.06 0.00 0.00 0.00 0.00 47.33 46.88 1nku h GLY 97 CO -0.13 0.59 0.64 -0.57 0.00 0.00 0.00 176.54 177.07 1nku h ASN 98 N 1.05 1.03 -0.45 0.19 -1.24 0.17 -0.54 115.58 115.79 1nku h ASN 98 Ca 0.25 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.21 1nku h ASN 98 Cb 0.19 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1nku h ASN 98 CO -0.02 0.66 0.09 0.00 -1.29 0.00 0.00 177.43 176.86 1nku h ALA 99 N 1.46 0.60 -0.68 1.57 0.00 -0.67 0.33 119.26 121.87 1nku h ALA 99 Ca 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nku h ALA 99 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1nku h ALA 99 CO -0.17 0.30 0.38 0.00 0.00 0.00 0.00 179.25 179.76 1nku h ARG 100 N 0.60 0.94 -0.43 0.00 3.08 -0.90 0.16 114.38 117.83 1nku h ARG 100 Ca 0.14 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1nku h ARG 100 Cb 0.36 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1nku h ARG 100 CO 0.01 0.70 -0.29 0.00 -1.07 0.00 0.00 179.97 179.31 1nku h ALA 101 N 1.19 0.67 -0.39 0.04 0.00 -0.85 -1.50 119.26 118.42 1nku h ALA 101 Ca 0.24 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1nku h ALA 101 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1nku h ALA 101 CO -0.04 0.67 0.20 -0.92 0.00 0.00 0.00 179.25 179.16 1nku h TYR 102 N 0.79 0.54 -0.64 0.00 5.03 0.23 -2.09 116.97 120.84 1nku h TYR 102 Ca 0.09 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.29 1nku h TYR 102 Cb 0.87 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.96 1nku h TYR 102 CO 0.05 0.44 0.07 1.25 -1.32 0.00 0.00 178.16 178.65 1nku h LEU 103 N 0.49 1.03 -0.94 2.82 5.85 -0.59 -2.57 115.31 121.41 1nku h LEU 103 Ca 0.13 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1nku h LEU 103 Cb 0.08 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1nku h LEU 103 CO -0.02 1.05 0.61 1.56 -0.34 0.00 0.00 178.44 181.29 1nku h GLN 104 N 0.99 1.24 -0.61 1.25 1.08 -0.95 -1.59 115.11 116.52 1nku h GLN 104 Ca 0.19 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 1nku h GLN 104 Cb 0.48 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1nku h GLN 104 CO 0.02 0.83 0.01 1.98 -0.95 0.00 0.00 178.83 180.72 1nku h MET 105 N 1.27 1.07 -0.11 1.46 4.05 -1.13 -2.68 114.93 118.87 1nku h MET 105 Ca 0.34 -0.34 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 1nku h MET 105 Cb -0.13 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.56 1nku h MET 105 CO -0.07 1.04 -0.19 1.49 0.23 0.00 0.00 176.91 179.40 1nku h GLU 106 N 0.97 0.18 -0.90 0.39 4.81 -1.02 -2.28 114.58 116.73 1nku h GLU 106 Ca 0.17 -0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.53 1nku h GLU 106 Cb 0.55 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 1nku h GLU 106 CO 0.03 0.37 0.58 0.37 -0.73 0.00 0.00 179.01 179.64 1nku h GLN 107 N 0.16 0.54 0.00 1.92 4.15 -0.95 1.26 115.11 122.20 1nku h GLN 107 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1nku h GLN 107 Cb 0.45 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1nku h GLN 107 CO 0.03 0.36 0.00 -1.71 -1.93 0.00 0.00 178.83 175.58 1nku n ASN 108 N -4.56 0.72 -1.33 -0.69 2.85 -0.86 -4.93 115.26 106.46 1nku n ASN 108 Ca 0.19 0.57 -0.04 0.00 -0.11 0.00 0.00 54.58 55.19 1nku n ASN 108 Cb 0.59 -0.76 0.02 0.00 1.24 0.00 0.00 39.78 40.86 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nku n GLY 109 N 1.27 0.45 2.76 8.20 0.00 0.43 -5.02 105.19 113.28 1nku n GLY 109 Ca 0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1nku n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nku s GLU 110 N -4.75 1.71 0.43 1.61 2.02 -1.23 -5.05 118.70 113.43 1nku s GLU 110 Ca 0.06 -2.55 -0.25 0.00 0.02 0.00 0.00 54.97 52.25 1nku s GLU 110 Cb -0.03 -2.68 -0.10 0.00 0.10 0.00 0.00 34.13 31.43 1nku s GLU 110 CO 0.15 -1.23 1.21 -2.30 0.02 0.00 0.00 175.26 173.12 1nku n PRO 111 N 2.86 1.77 -0.33 0.39 -0.02 -1.26 -4.76 135.00 133.65 1nku n PRO 111 Ca 0.15 0.63 -0.04 0.00 -2.02 0.00 0.00 63.50 62.22 1nku n PRO 111 Cb 0.36 -2.32 0.09 0.00 -0.02 0.00 0.00 33.50 31.61 1nku n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1nku h PHE 112 N 1.90 1.23 -0.24 6.00 -1.00 -1.98 0.20 116.94 123.05 1nku h PHE 112 Ca -0.47 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.27 1nku h PHE 112 Cb 1.31 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 1nku h PHE 112 CO 0.47 0.85 0.14 0.00 -1.61 0.00 0.00 178.31 178.16 1nku h ALA 113 N 1.27 0.30 -0.40 2.45 0.00 -1.90 1.30 119.26 122.28 1nku h ALA 113 Ca 0.31 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1nku h ALA 113 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nku h ALA 113 CO -0.05 -0.19 0.05 -0.44 0.00 0.00 0.00 179.25 178.63 1nku h ASP 114 N 0.29 0.64 -0.30 0.00 3.32 -1.85 -0.28 116.42 118.24 1nku h ASP 114 Ca 0.08 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 1nku h ASP 114 Cb 0.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1nku h ASP 114 CO -0.02 0.75 -0.06 0.15 -1.72 0.00 0.00 179.24 178.34 1nku h PHE 115 N 0.51 0.65 -0.46 4.55 3.57 -0.67 -2.59 116.94 122.50 1nku h PHE 115 Ca 0.12 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1nku h PHE 115 Cb 0.39 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1nku h PHE 115 CO 0.03 0.76 0.29 0.28 -2.23 0.00 0.00 178.31 177.43 1nku h VAL 116 N 0.35 1.13 -0.66 1.41 2.07 0.18 -1.87 116.25 118.87 1nku h VAL 116 Ca 0.08 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1nku h VAL 116 Cb 0.54 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1nku h VAL 116 CO 0.03 0.13 0.44 -0.50 0.02 0.00 0.00 177.57 177.68 1nku h TRP 117 N 0.61 0.75 -0.72 1.57 4.06 -0.98 -1.29 115.95 119.95 1nku h TRP 117 Ca 0.16 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 1nku h TRP 117 Cb -0.03 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 27.84 1nku h TRP 117 CO -0.04 0.44 0.36 1.03 -3.56 0.00 0.00 178.44 176.67 1nku h SER 118 N 0.78 0.92 0.04 -3.49 0.87 -0.94 1.84 113.55 113.57 1nku h SER 118 Ca 0.26 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1nku h SER 118 Cb 0.08 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1nku h SER 118 CO -0.07 0.77 -0.19 -0.26 -0.53 0.00 0.00 176.83 176.55 1nku h PHE 119 N 1.02 0.31 -0.60 2.24 -1.00 -0.93 -2.11 116.94 115.88 1nku h PHE 119 Ca 0.25 -0.05 -0.12 0.00 2.81 0.00 0.00 57.97 60.86 1nku h PHE 119 Cb 0.09 -0.08 -0.07 0.00 3.61 0.00 0.00 35.95 39.49 1nku h PHE 119 CO 0.01 0.47 0.16 1.55 -1.61 0.00 0.00 178.31 178.89 1nku n VAL 120 N -4.20 2.54 -3.05 -0.55 3.14 -0.84 -4.88 118.33 110.49 1nku n VAL 120 Ca -0.01 -1.33 -0.21 0.00 -2.96 0.00 0.00 64.34 59.83 1nku n VAL 120 Cb 0.33 -0.38 0.04 0.00 -1.06 0.00 0.00 33.84 32.77 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1nku n ASN 121 N 0.14 -5.87 -2.97 6.55 5.03 -0.79 -2.35 115.26 114.99 1nku n ASN 121 Ca 0.32 -0.30 -0.10 0.00 0.87 0.00 0.00 54.58 55.36 1nku n ASN 121 Cb 1.20 -4.66 -0.02 0.00 -1.02 0.00 0.00 39.78 35.28 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1nku n HIS 122 N -4.50 -1.81 -4.57 3.10 -0.00 0.62 -4.87 115.22 103.19 1nku n HIS 122 Ca -0.09 0.16 -0.22 0.00 -0.00 0.00 0.00 57.72 57.57 1nku n HIS 122 Cb 0.60 -1.20 -0.15 0.00 -0.00 0.00 0.00 29.99 29.25 1nku n HIS 122 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1nku s GLN 123 N -5.52 1.10 0.46 1.57 -0.21 -0.99 -5.05 119.66 111.03 1nku s GLN 123 Ca 0.19 -0.60 -0.23 0.00 0.02 0.00 0.00 55.36 54.74 1nku s GLN 123 Cb -0.11 -1.09 -0.07 0.00 1.00 0.00 0.00 33.01 32.74 1nku s GLN 123 CO 0.24 0.29 1.17 -1.25 -2.12 0.00 0.00 175.29 173.62 1nku s PRO 124 N -0.60 3.75 -0.02 2.91 0.04 -1.26 -4.92 135.00 134.90 1nku s PRO 124 Ca 0.05 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1nku s PRO 124 Cb -0.06 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1nku s PRO 124 CO 0.00 -0.56 0.00 -0.65 0.04 0.00 0.00 177.00 175.83 1nku s GLN 125 N -2.69 2.82 0.04 4.56 -1.52 -0.96 -5.05 119.66 116.86 1nku s GLN 125 Ca 0.63 -0.58 0.06 0.00 -1.95 0.00 0.00 55.36 53.53 1nku s GLN 125 Cb -0.29 -2.69 -0.02 0.00 -0.22 0.00 0.00 33.01 29.79 1nku s GLN 125 CO 0.35 0.64 -0.18 1.41 -0.25 0.00 0.00 175.29 177.26 1nku s MET 126 N -1.44 1.22 0.16 2.91 1.75 -1.26 -1.04 119.30 121.60 1nku s MET 126 Ca 0.18 -0.87 0.08 0.00 -1.25 0.00 0.00 55.69 53.83 1nku s MET 126 Cb -0.11 -1.30 -0.04 0.00 2.84 0.00 0.00 34.83 36.22 1nku s MET 126 CO 0.09 0.33 -0.17 -0.08 -0.65 0.00 0.00 175.02 174.54 1nku s THR 127 N -0.81 1.67 -0.35 10.11 -1.32 -1.10 -4.86 115.64 118.98 1nku s THR 127 Ca 0.05 -1.89 0.13 0.00 -1.21 0.00 0.00 61.69 58.78 1nku s THR 127 Cb -0.08 -1.78 0.45 0.00 -1.51 0.00 0.00 72.50 69.58 1nku s THR 127 CO 0.02 -0.37 1.04 0.00 -2.21 0.00 0.00 174.62 173.10 1nku n GLN 128 N 0.30 2.21 -2.78 7.08 6.02 -1.26 -4.87 117.38 124.08 1nku n GLN 128 Ca -0.13 -3.79 -0.33 0.00 -0.01 0.00 0.00 57.00 52.74 1nku n GLN 128 Cb 0.57 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nku s ALA 129 N -3.38 3.09 -0.16 -1.58 0.00 -1.26 -4.86 121.76 113.61 1nku s ALA 129 Ca 0.36 0.28 0.15 0.00 0.00 0.00 0.00 51.96 52.76 1nku s ALA 129 Cb 0.42 -3.08 -0.22 0.00 0.00 0.00 0.00 23.12 20.25 1nku s ALA 129 CO -0.05 0.08 0.08 2.41 0.00 0.00 0.00 175.76 178.28 1nku n THR 130 N -0.82 1.10 -4.27 0.00 -1.04 -1.26 -2.29 114.28 105.70 1nku n THR 130 Ca 0.06 -0.71 -0.19 0.00 -2.04 0.00 0.00 64.05 61.17 1nku n THR 130 Cb 0.54 -0.50 -0.11 0.00 -1.82 0.00 0.00 70.33 68.43 1nku n THR 130 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nku s THR 131 N -2.47 1.48 0.39 12.58 2.01 -1.26 -4.74 115.64 123.63 1nku s THR 131 Ca -0.08 -1.78 0.07 0.00 0.31 0.00 0.00 61.69 60.21 1nku s THR 131 Cb 0.06 -1.63 0.28 0.00 0.01 0.00 0.00 72.50 71.22 1nku s THR 131 CO 0.71 -0.38 2.02 -0.07 -0.69 0.00 0.00 174.62 176.20 1nku h LEU 132 N 3.45 0.55 -1.03 4.42 3.38 -1.94 -1.79 115.31 122.35 1nku h LEU 132 Ca -0.41 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.59 1nku h LEU 132 Cb 1.20 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1nku h LEU 132 CO 0.51 0.38 0.65 -1.28 0.09 0.00 0.00 178.44 178.78 1nku h SER 133 N 0.63 1.09 -0.24 -0.43 0.87 -2.02 -1.65 113.55 111.81 1nku h SER 133 Ca 0.22 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1nku h SER 133 Cb 0.08 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1nku h SER 133 CO -0.06 0.76 0.01 -0.33 -0.53 0.00 0.00 176.83 176.68 1nku h GLU 134 N 1.27 0.52 -6.29 2.24 5.08 -1.74 -3.40 114.58 112.26 1nku h GLU 134 Ca 0.39 -0.11 -0.57 0.00 -1.00 0.00 0.00 59.36 58.08 1nku h GLU 134 Cb -0.03 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1nku h GLU 134 CO -0.11 0.54 1.06 0.42 -1.00 0.00 0.00 179.01 179.91 1nku s ILE 135 N -4.99 3.88 0.21 3.13 1.01 -0.62 -4.99 121.20 118.83 1nku s ILE 135 Ca -0.08 1.00 -0.28 0.00 0.00 0.00 0.00 60.65 61.29 1nku s ILE 135 Cb 0.16 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.68 1nku s ILE 135 CO 0.76 -0.32 0.88 -2.16 0.00 0.00 0.00 174.94 174.10 1nku s PRO 136 N 4.37 4.76 0.00 2.79 0.04 -1.26 -4.95 135.00 140.75 1nku s PRO 136 Ca 0.65 1.37 0.27 0.00 0.04 0.00 0.00 61.00 63.33 1nku s PRO 136 Cb -0.22 -3.28 0.82 0.00 0.04 0.00 0.00 34.50 31.86 1nku s PRO 136 CO 0.26 0.53 1.61 -2.37 0.04 0.00 0.00 177.00 177.07 1nku n THR 137 N 1.55 0.00 -3.88 1.26 5.66 -1.26 -4.65 114.28 112.96 1nku n THR 137 Ca -0.03 -0.21 -0.34 0.00 -3.05 0.00 0.00 64.05 60.42 1nku n THR 137 Cb 0.48 0.55 -0.13 0.00 -1.55 0.00 0.00 70.33 69.67 1nku n THR 137 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1nku s SER 138 N -2.25 5.05 0.14 1.09 0.15 -1.26 -4.77 113.70 111.86 1nku s SER 138 Ca 0.30 -2.09 0.09 0.00 0.70 0.00 0.00 55.95 54.96 1nku s SER 138 Cb 0.20 -1.75 -0.04 0.00 -1.71 0.00 0.00 66.02 62.72 1nku s SER 138 CO 0.43 -0.48 -0.16 0.42 1.20 0.00 0.00 173.24 174.65 1nku s THR 139 N 1.04 2.90 0.38 6.45 -4.23 -1.26 -4.98 115.64 115.93 1nku s THR 139 Ca 0.09 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.13 1nku s THR 139 Cb -0.21 -2.37 0.34 0.00 1.34 0.00 0.00 72.50 71.60 1nku s THR 139 CO -0.06 0.02 1.87 1.55 -0.54 0.00 0.00 174.62 177.46 1nku h PRO 140 N 3.44 0.55 -0.06 3.99 0.13 -1.98 0.17 132.00 138.25 1nku h PRO 140 Ca -0.49 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1nku h PRO 140 Cb 1.18 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1nku h PRO 140 CO 0.49 0.37 -0.12 0.00 -0.23 0.00 0.00 178.00 178.50 1nku h ALA 141 N 1.61 0.10 -0.29 -0.56 0.00 -1.95 0.09 119.26 118.25 1nku h ALA 141 Ca 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nku h ALA 141 Cb 0.88 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1nku h ALA 141 CO -0.20 -0.02 0.15 1.03 0.00 0.00 0.00 179.25 180.22 1nku h SER 142 N -0.31 0.37 -0.50 0.00 0.87 -1.74 0.61 113.55 112.86 1nku h SER 142 Ca 0.00 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1nku h SER 142 Cb 0.71 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1nku h SER 142 CO 0.03 0.37 0.17 -0.78 -0.53 0.00 0.00 176.83 176.08 1nku h ASP 143 N 0.35 0.72 -0.36 6.23 3.58 -0.73 -1.49 116.42 124.72 1nku h ASP 143 Ca 0.10 -0.20 -0.14 0.00 0.42 0.00 0.00 57.03 57.22 1nku h ASP 143 Cb 0.08 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1nku h ASP 143 CO -0.02 0.73 -0.28 0.00 -2.88 0.00 0.00 179.24 176.79 1nku h ALA 144 N 1.02 0.72 -0.85 -0.78 0.00 -0.69 -2.88 119.26 115.80 1nku h ALA 144 Ca 0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1nku h ALA 144 Cb 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1nku h ALA 144 CO -0.01 0.66 0.47 1.25 0.00 0.00 0.00 179.25 181.62 1nku h LEU 145 N 0.75 1.06 -0.54 0.00 6.46 0.50 -1.76 115.31 121.77 1nku h LEU 145 Ca 0.09 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1nku h LEU 145 Cb 0.84 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1nku h LEU 145 CO 0.07 0.86 0.28 -1.28 -0.62 0.00 0.00 178.44 177.75 1nku h SER 146 N 1.19 0.69 -0.70 1.25 0.87 -1.13 -1.43 113.55 114.29 1nku h SER 146 Ca 0.30 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1nku h SER 146 Cb 0.03 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1nku h SER 146 CO -0.05 0.61 0.35 0.50 -0.53 0.00 0.00 176.83 177.71 1nku h LYS 147 N 0.73 1.01 -0.02 2.24 1.63 -1.25 0.15 116.57 121.06 1nku h LYS 147 Ca 0.19 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1nku h LYS 147 Cb 0.08 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1nku h LYS 147 CO -0.03 0.77 0.01 0.00 -3.45 0.00 0.00 179.45 176.75 1nku h ALA 148 N 1.38 0.02 -0.34 5.00 0.00 -0.71 -2.21 119.26 122.40 1nku h ALA 148 Ca 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1nku h ALA 148 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1nku h ALA 148 CO -0.03 -0.37 -0.01 -0.07 0.00 0.00 0.00 179.25 178.77 1nku h LEU 149 N -0.18 0.50 -1.49 0.00 3.38 -1.00 -1.88 115.31 114.64 1nku h LEU 149 Ca 0.01 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1nku h LEU 149 Cb 0.21 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1nku h LEU 149 CO -0.00 0.57 0.41 0.50 0.09 0.00 0.00 178.44 180.01 1nku h LYS 150 N 0.51 0.62 -0.98 1.13 3.64 -0.31 -1.07 116.57 120.10 1nku h LYS 150 Ca 0.11 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1nku h LYS 150 Cb 0.34 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1nku h LYS 150 CO 0.01 0.41 0.65 -0.22 -2.27 0.00 0.00 179.45 178.03 1nku h LYS 151 N 0.64 1.28 0.00 1.90 3.64 -0.73 0.97 116.57 124.27 1nku h LYS 151 Ca 0.26 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1nku h LYS 151 Cb 0.22 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1nku h LYS 151 CO -0.08 0.85 -0.01 0.00 -2.27 0.00 0.00 179.45 177.94 1nku h ARG 152 N 1.32 0.00 -0.06 1.90 -0.00 -1.24 -3.45 114.38 112.85 1nku h ARG 152 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.84 1nku h ARG 152 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.83 1nku h ARG 152 CO -0.08 0.01 0.00 0.41 0.00 0.00 0.00 179.97 180.31 1nku n GLY 153 N -0.60 1.41 3.80 0.04 0.00 0.34 -4.91 105.19 105.27 1nku n GLY 153 Ca -0.01 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1nku n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nku s PHE 154 N -2.06 3.72 0.61 1.61 0.08 -1.21 -5.01 117.98 115.71 1nku s PHE 154 Ca 0.00 1.47 0.07 0.00 0.12 0.00 0.00 56.93 58.59 1nku s PHE 154 Cb 0.00 -2.67 0.10 0.00 -0.57 0.00 0.00 43.02 39.88 1nku s PHE 154 CO 0.00 0.37 0.84 0.15 -0.10 0.00 0.00 175.22 176.49 1nku s LYS 155 N -1.77 2.15 -1.64 0.44 1.02 -1.26 -4.48 119.74 114.20 1nku s LYS 155 Ca 0.41 -1.50 -0.11 0.00 0.02 0.00 0.00 55.97 54.80 1nku s LYS 155 Cb -0.18 -2.57 0.10 0.00 -0.52 0.00 0.00 37.83 34.66 1nku s LYS 155 CO 0.22 -1.01 0.45 1.97 -0.92 0.00 0.00 175.35 176.07 1nku n PHE 156 N -2.39 -1.47 -1.21 3.18 -1.74 -1.26 -4.81 117.46 107.76 1nku n PHE 156 Ca 0.15 0.71 0.03 0.00 -0.56 0.00 0.00 57.45 57.79 1nku n PHE 156 Cb 0.61 -2.85 0.22 0.00 1.52 0.00 0.00 39.48 38.98 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1nku n VAL 157 N -4.37 2.37 -1.20 1.97 0.24 -1.26 -4.70 118.33 111.37 1nku n VAL 157 Ca -0.11 -2.32 -0.37 0.00 -2.04 0.00 0.00 64.34 59.49 1nku n VAL 157 Cb 0.58 -0.28 0.04 0.00 -1.47 0.00 0.00 33.84 32.71 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nku n GLY 158 N -0.89 -2.96 0.30 7.63 0.00 -1.26 -4.65 105.19 103.37 1nku n GLY 158 Ca 0.26 -0.38 0.17 0.00 0.00 0.00 0.00 46.02 46.07 1nku n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku h THR 159 N -0.33 0.32 -0.31 2.61 1.03 -1.95 -2.07 112.91 112.20 1nku h THR 159 Ca -0.43 -0.15 -0.05 0.00 -0.01 0.00 0.00 66.41 65.77 1nku h THR 159 Cb 1.38 1.11 -0.01 0.00 -1.07 0.00 0.00 68.15 69.56 1nku h THR 159 CO 0.38 0.03 -0.00 0.74 -0.01 0.00 0.00 175.52 176.65 1nku h THR 160 N 0.00 1.26 -0.37 0.00 2.02 -1.88 -2.43 112.91 111.50 1nku h THR 160 Ca -0.00 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 1nku h THR 160 Cb 0.11 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1nku h THR 160 CO 0.00 0.31 -0.07 0.40 0.37 0.00 0.00 175.52 176.54 1nku h ILE 161 N 0.34 1.23 -0.64 3.11 2.04 -1.69 -2.45 117.51 119.45 1nku h ILE 161 Ca 0.09 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1nku h ILE 161 Cb 0.45 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1nku h ILE 161 CO 0.02 0.34 0.40 0.00 0.00 0.00 0.00 178.15 178.90 1nku h TYR 163 N 0.86 1.13 -0.71 0.00 3.20 -1.07 -2.36 116.97 118.03 1nku h TYR 163 Ca 0.23 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1nku h TYR 163 Cb -0.05 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 37.84 1nku h TYR 163 CO -0.02 0.84 0.39 0.66 -1.64 0.00 0.00 178.16 178.39 1nku h SER 164 N 1.11 0.87 -0.53 -2.11 4.64 -0.90 -2.05 113.55 114.58 1nku h SER 164 Ca 0.26 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1nku h SER 164 Cb 0.16 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1nku h SER 164 CO -0.03 0.69 0.11 0.15 -0.87 0.00 0.00 176.83 176.88 1nku h PHE 165 N 0.98 0.91 -0.47 4.77 3.57 -0.84 -2.40 116.94 123.45 1nku h PHE 165 Ca 0.25 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1nku h PHE 165 Cb 0.01 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1nku h PHE 165 CO 0.01 0.81 0.22 0.52 -2.23 0.00 0.00 178.31 177.63 1nku h MET 166 N 0.74 0.66 -0.42 1.11 0.00 -1.15 0.19 114.93 116.08 1nku h MET 166 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 59.70 59.78 1nku h MET 166 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 31.60 31.82 1nku h MET 166 CO 0.01 0.53 0.26 0.37 0.00 0.00 0.00 176.91 178.07 1nku h GLN 167 N 0.67 0.56 0.21 1.72 4.15 -0.88 -1.67 115.11 119.87 1nku h GLN 167 Ca 0.17 -0.05 -0.32 0.00 0.77 0.00 0.00 58.65 59.22 1nku h GLN 167 Cb 0.09 -0.12 0.02 0.00 0.21 0.00 0.00 27.48 27.69 1nku h GLN 167 CO -0.02 0.41 -1.44 0.00 -1.93 0.00 0.00 178.83 175.84 1nku h ALA 168 N 1.12 -0.04 -0.50 3.38 0.00 -1.21 -2.92 119.26 119.09 1nku h ALA 168 Ca 0.15 -0.91 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1nku h ALA 168 Cb -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nku h ALA 168 CO -0.03 0.83 0.24 0.00 0.00 0.00 0.00 179.25 180.28 1nku n GLY 170 N -1.22 0.87 0.39 0.00 0.00 -0.64 -0.59 105.19 104.01 1nku n GLY 170 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 1nku n GLY 170 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nku h LEU 171 N 0.00 0.37 -8.80 0.99 5.85 -1.84 -3.39 115.31 108.49 1nku h LEU 171 Ca 0.00 0.03 -0.67 0.00 0.84 0.00 0.00 57.88 58.08 1nku h LEU 171 Cb 0.00 -0.04 -0.24 0.00 0.37 0.00 0.00 40.66 40.75 1nku h LEU 171 CO 0.00 0.17 -0.87 0.68 -0.34 0.00 0.00 178.44 178.08 1nku s VAL 172 N -5.38 2.12 -0.53 1.05 -7.23 -1.26 -2.25 120.40 106.91 1nku s VAL 172 Ca -0.08 -1.57 -0.22 0.00 -1.81 0.00 0.00 61.98 58.31 1nku s VAL 172 Cb 0.22 -1.85 0.05 0.00 0.56 0.00 0.00 36.38 35.35 1nku s VAL 172 CO 0.77 0.18 0.80 0.20 -0.31 0.00 0.00 175.10 176.74 1nku s ASN 173 N -1.69 6.29 0.53 4.85 0.01 -0.21 -4.94 114.94 119.78 1nku s ASN 173 Ca 0.12 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1nku s ASN 173 Cb -0.10 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1nku s ASN 173 CO 0.04 -1.07 0.02 0.47 -1.51 0.00 0.00 177.10 175.05 1nku n ASP 174 N 6.88 3.43 0.00 -1.22 8.00 -1.26 -2.70 116.55 129.68 1nku n ASP 174 Ca -0.02 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.20 1nku n ASP 174 Cb 0.47 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1nku n ASP 174 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1nku n HIS 175 N -1.33 0.00 -0.95 1.24 8.25 -1.26 -4.87 115.22 116.30 1nku n HIS 175 Ca -0.21 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.34 1nku n HIS 175 Cb 0.66 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.74 1nku n HIS 175 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1nku n VAL 176 N -0.14 -0.18 0.13 1.59 0.24 -1.26 -3.19 118.33 115.53 1nku n VAL 176 Ca 0.00 0.32 -0.00 0.00 -2.04 0.00 0.00 64.34 62.62 1nku n VAL 176 Cb 0.00 -0.55 0.13 0.00 -1.47 0.00 0.00 33.84 31.96 1nku n VAL 176 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1nku h VAL 177 N -1.20 1.29 -0.96 3.34 3.04 -1.72 -3.22 116.25 116.82 1nku h VAL 177 Ca -0.06 -2.26 0.04 0.00 -1.01 0.00 0.00 66.70 63.40 1nku h VAL 177 Cb 0.96 2.28 -0.06 0.00 -2.01 0.00 0.00 31.29 32.46 1nku h VAL 177 CO 0.03 0.61 0.63 1.23 -1.01 0.00 0.00 177.57 179.06 1nku h GLY 178 N 2.36 1.39 -7.53 3.17 0.00 -1.86 -3.39 103.07 97.21 1nku h GLY 178 Ca -0.01 -0.47 -0.48 0.00 0.00 0.00 0.00 47.33 46.38 1nku h GLY 178 CO 0.08 0.40 1.63 0.00 0.00 0.00 0.00 176.54 178.64 1nku s TYR 182 N -5.10 3.57 -0.11 0.00 5.04 0.36 -4.93 117.35 116.18 1nku s TYR 182 Ca -0.06 -3.33 -0.12 0.00 -2.44 0.00 0.00 57.07 51.12 1nku s TYR 182 Cb 0.21 -2.73 -0.10 0.00 0.35 0.00 0.00 41.96 39.69 1nku s TYR 182 CO 0.77 -0.56 0.36 -1.00 -1.34 0.00 0.00 175.55 173.77 1nku h PRO 183 N 5.47 -0.04 0.00 4.97 0.13 -1.69 -3.43 132.00 137.40 1nku h PRO 183 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1nku h PRO 183 Cb 0.76 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1nku h PRO 183 CO 0.72 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1nku n GLY 184 N 1.55 0.71 3.45 1.56 0.00 -1.26 -3.93 105.19 107.27 1nku n GLY 184 Ca -0.04 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1nku n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nku n ASN 185 N 1.44 -3.51 -3.81 1.61 5.03 -1.26 -4.96 115.26 109.80 1nku n ASN 185 Ca 0.00 -0.58 -0.28 0.00 0.87 0.00 0.00 54.58 54.59 1nku n ASN 185 Cb 0.21 -5.02 -0.12 0.00 -1.02 0.00 0.00 39.78 33.83 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1nku s LYS 186 N -5.67 2.16 0.00 3.52 1.02 -1.25 -5.33 119.74 114.19 1nku s LYS 186 Ca 0.20 -3.09 0.31 0.00 0.02 0.00 0.00 55.97 53.41 1nku s LYS 186 Cb -0.09 -3.05 1.72 0.00 -0.52 0.00 0.00 37.83 35.89 1nku s LYS 186 CO 0.72 -1.30 2.12 -0.35 -0.92 0.00 0.00 175.35 175.62