#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 4.52 0.04 2.12 0.41 -1.26 -5.04 118.70 119.49 1nku s GLU 2 Ca 0.00 1.69 -0.06 0.00 -0.41 0.00 0.00 54.97 56.19 1nku s GLU 2 Cb 0.00 -3.01 -0.01 0.00 -1.78 0.00 0.00 34.13 29.33 1nku s GLU 2 CO 0.00 0.13 0.11 0.50 -0.49 0.00 0.00 175.26 175.51 1nku s ARG 3 N -1.73 0.63 0.27 1.61 6.06 -1.26 -4.35 118.95 120.18 1nku s ARG 3 Ca 0.48 -0.79 -0.30 0.00 -2.50 0.00 0.00 55.73 52.62 1nku s ARG 3 Cb -0.29 0.25 -0.11 0.00 0.06 0.00 0.00 34.95 34.87 1nku s ARG 3 CO 0.36 -0.17 1.54 0.00 -2.50 0.00 0.00 175.30 174.54 1nku h GLY 5 N 5.03 0.85 1.97 0.00 0.00 -1.93 -2.48 103.07 106.51 1nku h GLY 5 Ca -0.46 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.33 1nku h GLY 5 CO 0.80 0.50 0.01 1.49 0.00 0.00 0.00 176.54 179.34 1nku h TRP 6 N 0.75 0.01 -0.78 5.60 4.06 -1.96 -2.47 115.95 121.17 1nku h TRP 6 Ca 0.15 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.25 1nku h TRP 6 Cb 0.39 -0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.45 1nku h TRP 6 CO 0.02 0.01 0.33 0.28 -3.56 0.00 0.00 178.44 175.52 1nku h VAL 7 N 0.02 0.66 0.00 1.49 2.07 -1.82 -3.44 116.25 115.22 1nku h VAL 7 Ca 0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1nku h VAL 7 Cb 0.01 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1nku h VAL 7 CO -0.00 0.09 0.00 -1.54 0.02 0.00 0.00 177.57 176.13 1nku n SER 8 N -4.98 0.00 -0.10 0.57 3.41 -0.93 -3.72 113.62 107.86 1nku n SER 8 Ca 0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.56 1nku n SER 8 Cb 0.43 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 1nku n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nku n GLN 9 N 14.00 0.44 -0.88 4.33 6.02 -1.26 -4.93 117.38 135.10 1nku n GLN 9 Ca 0.00 0.17 -0.19 0.00 -0.01 0.00 0.00 57.00 56.97 1nku n GLN 9 Cb 0.00 -1.26 -0.11 0.00 1.02 0.00 0.00 30.24 29.89 1nku n GLN 9 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1nku n ASP 10 N -3.70 -0.26 0.12 1.08 8.00 -1.24 -4.72 116.55 115.82 1nku n ASP 10 Ca -0.39 -0.07 0.06 0.00 0.71 0.00 0.00 54.79 55.10 1nku n ASP 10 Cb 0.80 -0.45 0.53 0.00 -0.02 0.00 0.00 41.12 41.99 1nku n ASP 10 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1nku h PRO 11 N 6.80 0.28 -0.67 -0.24 0.11 -1.92 -2.17 132.00 134.19 1nku h PRO 11 Ca -0.01 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1nku h PRO 11 Cb 0.72 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1nku h PRO 11 CO 0.87 0.18 0.26 1.25 -0.21 0.00 0.00 178.00 180.36 1nku h LEU 12 N 0.29 0.91 -0.74 2.35 6.46 -1.96 -2.32 115.31 120.30 1nku h LEU 12 Ca 0.09 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1nku h LEU 12 Cb 0.00 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.65 1nku h LEU 12 CO -0.02 0.81 0.47 0.22 -0.62 0.00 0.00 178.44 179.31 1nku h TYR 13 N 0.97 0.88 -0.85 1.25 5.03 -1.74 -1.66 116.97 120.85 1nku h TYR 13 Ca 0.23 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.58 1nku h TYR 13 Cb 0.19 -0.29 -0.05 0.00 1.55 0.00 0.00 36.73 38.14 1nku h TYR 13 CO 0.02 0.51 0.56 0.82 -1.32 0.00 0.00 178.16 178.75 1nku h ILE 14 N 0.92 1.18 -0.74 1.81 2.04 -1.45 0.89 117.51 122.16 1nku h ILE 14 Ca 0.29 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1nku h ILE 14 Cb -0.00 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.00 1nku h ILE 14 CO -0.10 0.20 0.46 0.00 0.00 0.00 0.00 178.15 178.71 1nku h ALA 15 N 1.48 0.97 -0.43 1.87 0.00 -1.08 0.27 119.26 122.35 1nku h ALA 15 Ca 0.33 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1nku h ALA 15 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1nku h ALA 15 CO -0.09 0.25 -0.24 -0.92 0.00 0.00 0.00 179.25 178.26 1nku h TYR 16 N 0.90 1.01 -0.06 0.00 3.20 -0.97 0.97 116.97 122.02 1nku h TYR 16 Ca 0.30 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1nku h TYR 16 Cb 0.02 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 1nku h TYR 16 CO -0.04 1.02 0.04 1.25 -1.64 0.00 0.00 178.16 178.80 1nku h HIS 17 N 0.76 0.08 -0.08 -3.82 2.76 0.25 -2.07 115.15 113.03 1nku h HIS 17 Ca 0.10 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.08 1nku h HIS 17 Cb 0.79 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.73 1nku h HIS 17 CO 0.05 0.06 -0.70 -0.44 -1.30 0.00 0.00 177.93 175.60 1nku h ASP 18 N 0.08 0.75 -0.28 3.26 3.32 -0.93 -3.31 116.42 119.31 1nku h ASP 18 Ca 0.02 -0.68 0.04 0.00 0.02 0.00 0.00 57.03 56.44 1nku h ASP 18 Cb 0.00 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1nku h ASP 18 CO -0.00 1.32 0.03 -1.13 -1.72 0.00 0.00 179.24 177.73 1nku h ASN 19 N 0.24 -0.05 -0.37 6.45 -0.73 -0.75 -3.44 115.58 116.93 1nku h ASN 19 Ca -0.07 0.05 0.24 0.00 1.87 0.00 0.00 56.30 58.39 1nku h ASN 19 Cb 1.35 0.08 -0.27 0.00 0.27 0.00 0.00 38.32 39.76 1nku h ASN 19 CO 0.14 0.01 0.45 -1.83 -0.37 0.00 0.00 177.43 175.84 1nku s GLU 20 N -6.18 0.10 -0.30 6.67 -1.05 -0.79 -5.09 118.70 112.07 1nku s GLU 20 Ca -0.13 0.26 -0.13 0.00 -0.15 0.00 0.00 54.97 54.82 1nku s GLU 20 Cb 0.11 0.16 0.18 0.00 -0.44 0.00 0.00 34.13 34.13 1nku s GLU 20 CO 0.70 -0.04 1.05 -0.46 0.95 0.00 0.00 175.26 177.46 1nku s TRP 21 N 2.15 -0.53 0.00 4.83 -0.00 -1.25 -4.59 118.94 119.56 1nku s TRP 21 Ca -0.00 0.57 0.00 0.00 -0.00 0.00 0.00 56.10 56.66 1nku s TRP 21 Cb -0.02 0.19 0.00 0.00 -0.00 0.00 0.00 33.47 33.64 1nku s TRP 21 CO -0.16 -0.29 0.00 0.41 -0.00 0.00 0.00 176.95 176.90 1nku n GLY 22 N 5.47 2.91 3.78 5.86 0.00 -1.20 -5.00 105.19 117.01 1nku n GLY 22 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1nku n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nku s VAL 23 N -2.62 3.47 0.15 1.61 -7.23 -1.26 -4.57 120.40 109.94 1nku s VAL 23 Ca 0.00 1.11 -0.32 0.00 -1.81 0.00 0.00 61.98 60.97 1nku s VAL 23 Cb 0.00 -3.57 -0.11 0.00 0.56 0.00 0.00 36.38 33.26 1nku s VAL 23 CO 0.00 -0.01 1.80 -0.81 -0.31 0.00 0.00 175.10 175.78 1nku n PRO 24 N -0.26 2.78 -4.72 4.82 -0.04 -1.26 -4.01 135.00 132.30 1nku n PRO 24 Ca 0.06 1.01 -0.33 0.00 -0.04 0.00 0.00 63.50 64.19 1nku n PRO 24 Cb 0.49 -2.89 -0.13 0.00 -0.04 0.00 0.00 33.50 30.94 1nku n PRO 24 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1nku s GLU 25 N 2.28 2.95 -0.04 0.54 2.56 -0.60 -4.97 118.70 121.42 1nku s GLU 25 Ca 0.80 -0.63 0.06 0.00 0.00 0.00 0.00 54.97 55.21 1nku s GLU 25 Cb -0.49 -2.57 0.10 0.00 2.00 0.00 0.00 34.13 33.16 1nku s GLU 25 CO 0.36 0.48 0.96 0.25 -0.56 0.00 0.00 175.26 176.76 1nku n THR 26 N 2.75 0.94 -2.81 -1.70 -2.24 -1.26 -4.92 114.28 105.03 1nku n THR 26 Ca -0.18 -1.07 -0.42 0.00 -2.27 0.00 0.00 64.05 60.11 1nku n THR 26 Cb 0.53 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.46 6.87 0.10 3.42 1.01 -1.26 -4.95 116.67 120.40 1nku s ASP 27 Ca 0.11 1.04 -0.32 0.00 0.71 0.00 0.00 52.55 54.08 1nku s ASP 27 Cb 0.09 -2.47 -0.14 0.00 1.01 0.00 0.00 42.92 41.42 1nku s ASP 27 CO 0.01 -0.62 1.60 0.77 0.21 0.00 0.00 175.17 177.13 1nku h SER 28 N 7.77 -1.12 -0.76 0.27 4.64 -1.98 -2.78 113.55 119.59 1nku h SER 28 Ca -0.22 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1nku h SER 28 Cb 1.08 0.38 -0.03 0.00 -0.31 0.00 0.00 62.40 63.52 1nku h SER 28 CO 0.92 -0.54 0.32 0.11 -0.87 0.00 0.00 176.83 176.77 1nku h LYS 29 N -0.79 1.14 -0.65 4.77 1.57 -2.01 -3.05 116.57 117.55 1nku h LYS 29 Ca -0.03 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1nku h LYS 29 Cb 0.72 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1nku h LYS 29 CO -0.09 0.92 0.39 -0.22 -0.57 0.00 0.00 179.45 179.87 1nku h LYS 30 N 1.12 0.89 -0.60 3.15 3.64 -1.94 -2.46 116.57 120.37 1nku h LYS 30 Ca 0.26 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1nku h LYS 30 Cb 0.19 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1nku h LYS 30 CO -0.02 0.64 0.05 -0.07 -2.27 0.00 0.00 179.45 177.78 1nku h LEU 31 N 0.89 0.96 -0.24 5.20 4.07 -1.42 -2.48 115.31 122.29 1nku h LEU 31 Ca 0.23 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1nku h LEU 31 Cb -0.02 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 1nku h LEU 31 CO -0.04 0.99 0.03 -0.26 -1.08 0.00 0.00 178.44 178.08 1nku h PHE 32 N 0.93 0.43 -0.28 1.13 0.04 -1.39 -2.48 116.94 115.31 1nku h PHE 32 Ca 0.18 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 1nku h PHE 32 Cb 0.47 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1nku h PHE 32 CO 0.03 0.53 -0.08 0.93 -0.60 0.00 0.00 178.31 179.12 1nku h GLU 33 N 0.20 0.46 -0.73 1.51 3.07 -1.41 -2.02 114.58 115.66 1nku h GLU 33 Ca 0.07 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 1nku h GLU 33 Cb 0.34 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1nku h GLU 33 CO 0.01 0.55 0.33 1.98 -1.40 0.00 0.00 179.01 180.47 1nku h MET 34 N 0.43 1.06 -0.12 2.33 4.05 -1.21 -2.09 114.93 119.38 1nku h MET 34 Ca 0.09 -0.17 -0.17 0.00 -0.28 0.00 0.00 59.70 59.16 1nku h MET 34 Cb 0.41 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1nku h MET 34 CO 0.02 0.85 -0.65 0.82 0.23 0.00 0.00 176.91 178.18 1nku h ILE 35 N 1.03 1.35 -0.02 1.77 1.08 -1.06 -2.31 117.51 119.35 1nku h ILE 35 Ca 0.25 -1.98 -0.00 0.00 -0.39 0.00 0.00 64.86 62.73 1nku h ILE 35 Cb 0.16 1.96 -0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1nku h ILE 35 CO -0.03 0.60 -0.00 0.00 -0.69 0.00 0.00 178.15 178.04 1nku h LEU 37 N -0.28 0.65 -1.77 0.00 4.07 -1.46 -3.00 115.31 113.52 1nku h LEU 37 Ca 0.01 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1nku h LEU 37 Cb 0.33 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1nku h LEU 37 CO 0.00 1.02 0.14 -0.33 -1.08 0.00 0.00 178.44 178.19 1nku h GLU 38 N 0.48 0.29 -0.96 1.13 4.39 -1.42 -1.64 114.58 116.85 1nku h GLU 38 Ca 0.03 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1nku h GLU 38 Cb 1.00 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.50 1nku h GLU 38 CO 0.09 0.20 0.59 0.78 -1.16 0.00 0.00 179.01 179.51 1nku h GLY 39 N 0.31 1.58 2.00 -3.84 0.00 -1.35 0.31 103.07 102.08 1nku h GLY 39 Ca 0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1nku h GLY 39 CO -0.02 0.12 -0.19 1.46 0.00 0.00 0.00 176.54 177.92 1nku h GLN 40 N 0.91 0.00 -1.04 4.80 4.20 -1.43 -2.65 115.11 119.91 1nku h GLN 40 Ca 0.49 0.00 0.27 0.00 0.06 0.00 0.00 58.65 59.46 1nku h GLN 40 Cb 0.52 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.21 1nku h GLN 40 CO -0.28 0.19 0.67 0.37 -0.67 0.00 0.00 178.83 179.10 1nku h GLN 41 N 0.00 0.39 -6.03 1.46 4.15 -0.36 -3.39 115.11 111.33 1nku h GLN 41 Ca -0.00 -0.02 -0.78 0.00 0.77 0.00 0.00 58.65 58.62 1nku h GLN 41 Cb 0.35 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1nku h GLN 41 CO 0.02 0.26 1.08 0.00 -1.93 0.00 0.00 178.83 178.26 1nku n ALA 42 N -2.47 -0.16 0.00 3.38 0.00 -1.00 0.27 120.51 120.53 1nku n ALA 42 Ca 0.25 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1nku n ALA 42 Cb 0.87 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 5.71 3.17 0.00 0.00 0.00 -1.26 -4.99 105.19 107.81 1nku n GLY 43 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.92 0.99 4.77 0.76 -5.15 117.00 114.45 1nku n LEU 44 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 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 -0.24 -0.55 -1.33 0.00 0.00 177.39 175.27 1nku s SER 45 N -0.32 0.13 0.30 -1.43 0.15 -1.26 -5.00 113.70 106.28 1nku s SER 45 Ca 0.00 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.31 1nku s SER 45 Cb 0.00 0.17 0.65 0.00 -1.71 0.00 0.00 66.02 65.14 1nku s SER 45 CO 0.00 -0.38 1.83 4.11 1.20 0.00 0.00 173.24 180.01 1nku h TRP 46 N 4.26 1.06 -0.60 3.44 0.09 -1.99 0.16 115.95 122.37 1nku h TRP 46 Ca -0.32 0.03 -0.00 0.00 0.09 0.00 0.00 58.89 58.69 1nku h TRP 46 Cb 1.20 -0.33 -0.03 0.00 0.08 0.00 0.00 29.16 30.08 1nku h TRP 46 CO 0.61 0.38 0.35 0.97 0.09 0.00 0.00 178.44 180.84 1nku h ILE 47 N 0.88 1.17 -0.69 0.12 6.09 -2.01 -1.73 117.51 121.35 1nku h ILE 47 Ca 0.50 -0.39 -0.07 0.00 -1.37 0.00 0.00 64.86 63.54 1nku h ILE 47 Cb 0.62 0.34 -0.03 0.00 0.47 0.00 0.00 36.82 38.22 1nku h ILE 47 CO -0.27 0.18 0.17 0.74 -3.07 0.00 0.00 178.15 175.90 1nku h THR 48 N 0.82 1.26 -0.58 2.19 2.02 -1.37 -2.85 112.91 114.40 1nku h THR 48 Ca 0.21 -0.94 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 1nku h THR 48 Cb -0.02 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1nku h THR 48 CO -0.04 0.36 0.07 0.58 0.37 0.00 0.00 175.52 176.86 1nku h VAL 49 N 1.04 1.25 0.34 3.16 2.07 -1.04 -2.69 116.25 120.37 1nku h VAL 49 Ca 0.22 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1nku h VAL 49 Cb 0.35 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1nku h VAL 49 CO 0.00 0.37 -0.28 -0.07 0.02 0.00 0.00 177.57 177.61 1nku h LEU 50 N 0.90 -0.72 -0.29 2.57 3.38 -1.19 2.72 115.31 122.68 1nku h LEU 50 Ca 0.18 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1nku h LEU 50 Cb 0.43 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1nku h LEU 50 CO 0.01 -0.41 0.15 0.11 0.09 0.00 0.00 178.44 178.39 1nku h LYS 51 N -0.62 0.30 -0.02 1.13 1.57 -1.57 -0.24 116.57 117.11 1nku h LYS 51 Ca -0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1nku h LYS 51 Cb 0.55 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1nku h LYS 51 CO -0.02 0.20 -0.22 0.87 -0.57 0.00 0.00 179.45 179.71 1nku h LYS 52 N 0.31 0.03 -0.91 3.15 1.57 -1.14 -2.06 116.57 117.51 1nku h LYS 52 Ca 0.12 -0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.07 1nku h LYS 52 Cb 0.03 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.24 1nku h LYS 52 CO -0.08 0.25 0.49 -0.09 -0.57 0.00 0.00 179.45 179.46 1nku h ARG 53 N 0.03 0.62 -0.56 3.15 2.43 0.67 1.17 114.38 121.89 1nku h ARG 53 Ca 0.00 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1nku h ARG 53 Cb 0.41 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1nku h ARG 53 CO 0.03 0.41 -0.09 0.93 -1.51 0.00 0.00 179.97 179.73 1nku h GLU 54 N 0.64 1.05 -0.23 0.20 5.08 -1.19 -0.56 114.58 119.57 1nku h GLU 54 Ca 0.52 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1nku h GLU 54 Cb 0.81 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1nku h GLU 54 CO -0.40 1.08 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.75 1nku h ASN 55 N 0.94 0.42 -0.94 1.42 -0.26 0.21 -2.53 115.58 114.84 1nku h ASN 55 Ca 0.15 -0.34 0.01 0.00 -0.56 0.00 0.00 56.30 55.55 1nku h ASN 55 Cb 0.67 -0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 37.77 1nku h ASN 55 CO 0.05 0.66 0.62 1.88 -1.06 0.00 0.00 177.43 179.58 1nku h TYR 56 N 0.17 1.20 -0.46 1.19 0.05 0.12 -0.90 116.97 118.33 1nku h TYR 56 Ca 0.06 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.88 1nku h TYR 56 Cb 0.47 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1nku h TYR 56 CO 0.04 0.76 0.30 -0.09 -1.05 0.00 0.00 178.16 178.13 1nku h ARG 57 N 1.28 0.53 -0.22 4.88 9.65 -0.88 0.25 114.38 129.88 1nku h ARG 57 Ca 0.34 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.15 1nku h ARG 57 Cb -0.13 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.32 1nku h ARG 57 CO -0.07 0.35 -0.03 0.00 2.80 0.00 0.00 179.97 183.02 1nku h ALA 58 N 1.73 0.31 0.11 2.80 0.00 -0.74 -2.40 119.26 121.07 1nku h ALA 58 Ca 0.18 -0.24 -0.37 0.00 0.00 0.00 0.00 54.91 54.48 1nku h ALA 58 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nku h ALA 58 CO -0.04 0.07 -2.05 0.00 0.00 0.00 0.00 179.25 177.22 1nku h PHE 60 N 0.06 0.54 -0.75 0.00 -1.00 -0.64 -3.26 116.94 111.89 1nku h PHE 60 Ca -0.44 -0.40 0.03 0.00 2.81 0.00 0.00 57.97 59.98 1nku h PHE 60 Cb 2.02 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 41.51 1nku h PHE 60 CO 0.07 1.33 0.47 1.25 -1.61 0.00 0.00 178.31 179.82 1nku h HIS 61 N -0.37 0.88 -0.51 -0.55 2.76 -1.46 -1.43 115.15 114.48 1nku h HIS 61 Ca -0.15 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1nku h HIS 61 Cb 1.66 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 30.30 1nku h HIS 61 CO 0.19 0.50 0.32 1.96 -1.30 0.00 0.00 177.93 179.60 1nku h GLN 62 N 0.91 0.68 0.00 5.26 4.20 -1.69 0.48 115.11 124.95 1nku h GLN 62 Ca 0.30 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1nku h GLN 62 Cb 0.04 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1nku h GLN 62 CO -0.12 0.47 0.00 0.34 -0.67 0.00 0.00 178.83 178.85 1nku n PHE 63 N -4.44 0.00 -1.19 2.96 7.35 -0.57 -5.01 117.46 116.56 1nku n PHE 63 Ca 0.05 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.87 1nku n PHE 63 Cb 0.07 -0.01 -0.05 0.00 0.35 0.00 0.00 39.48 39.83 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1nku n ASP 64 N -1.01 -6.17 0.10 -2.13 9.92 0.16 -3.95 116.55 113.46 1nku n ASP 64 Ca 0.22 0.80 -0.17 0.00 -0.53 0.00 0.00 54.79 55.11 1nku n ASP 64 Cb 0.11 -3.86 -0.14 0.00 -0.64 0.00 0.00 41.12 36.59 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nku h PRO 65 N -1.30 0.28 -0.22 -0.24 0.13 -1.86 -3.27 132.00 125.52 1nku h PRO 65 Ca -0.08 -0.48 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1nku h PRO 65 Cb 1.23 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 1nku h PRO 65 CO 0.04 1.20 0.13 0.28 -0.23 0.00 0.00 178.00 179.43 1nku h VAL 66 N 0.08 1.08 -0.29 1.56 2.07 -1.98 -2.29 116.25 116.48 1nku h VAL 66 Ca -0.17 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1nku h VAL 66 Cb 2.00 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1nku h VAL 66 CO 0.20 0.07 -0.04 0.11 0.02 0.00 0.00 177.57 177.93 1nku h LYS 67 N 0.27 0.45 -0.89 1.57 1.57 -1.71 -2.15 116.57 115.68 1nku h LYS 67 Ca 0.08 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1nku h LYS 67 Cb 0.01 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1nku h LYS 67 CO -0.02 0.52 0.59 0.28 -0.57 0.00 0.00 179.45 180.25 1nku h VAL 68 N 0.43 1.18 0.00 0.50 2.07 -1.47 3.23 116.25 122.19 1nku h VAL 68 Ca 0.09 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1nku h VAL 68 Cb 0.36 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1nku h VAL 68 CO 0.01 0.21 -0.14 0.00 0.02 0.00 0.00 177.57 177.67 1nku h ALA 69 N 1.47 0.91 0.00 1.67 0.00 -1.11 -3.30 119.26 118.90 1nku h ALA 69 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1nku h ALA 69 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nku h ALA 69 CO -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.10 1nku n ALA 70 N -1.89 2.10 -1.42 0.00 0.00 -0.15 -4.77 120.51 114.39 1nku n ALA 70 Ca 0.05 -1.91 -0.30 0.00 0.00 0.00 0.00 53.44 51.28 1nku n ALA 70 Cb 0.46 -0.27 0.24 0.00 0.00 0.00 0.00 19.45 19.88 1nku n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nku s MET 71 N -1.92 -0.85 0.17 0.00 0.23 1.06 -4.95 119.30 113.03 1nku s MET 71 Ca 0.18 -0.35 0.06 0.00 -1.03 0.00 0.00 55.69 54.55 1nku s MET 71 Cb 0.16 -1.67 -0.04 0.00 -1.53 0.00 0.00 34.83 31.76 1nku s MET 71 CO 0.02 -3.42 0.10 -0.65 -2.03 0.00 0.00 175.02 169.04 1nku s GLN 72 N -5.71 2.75 0.48 3.16 -0.21 -1.26 -4.99 119.66 113.89 1nku s GLN 72 Ca 0.74 -0.94 0.16 0.00 0.02 0.00 0.00 55.36 55.34 1nku s GLN 72 Cb -0.05 -2.56 1.16 0.00 1.00 0.00 0.00 33.01 32.56 1nku s GLN 72 CO 0.55 0.47 2.05 0.93 -2.12 0.00 0.00 175.29 177.18 1nku h GLU 73 N 2.48 0.21 -0.79 2.91 5.08 -2.02 0.41 114.58 122.87 1nku h GLU 73 Ca -0.47 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.94 1nku h GLU 73 Cb 1.20 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1nku h GLU 73 CO 0.62 0.14 0.51 1.49 -1.00 0.00 0.00 179.01 180.77 1nku h GLU 74 N 0.21 0.80 -0.89 2.33 4.57 -2.00 0.44 114.58 120.04 1nku h GLU 74 Ca 0.16 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.37 1nku h GLU 74 Cb 0.37 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.72 1nku h GLU 74 CO -0.03 0.53 0.58 0.22 -1.18 0.00 0.00 179.01 179.13 1nku h ASP 75 N 0.82 0.86 -0.64 1.04 3.58 -1.30 -0.80 116.42 119.99 1nku h ASP 75 Ca 0.34 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1nku h ASP 75 Cb 0.28 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1nku h ASP 75 CO -0.12 0.54 0.35 0.58 -2.88 0.00 0.00 179.24 177.71 1nku h VAL 76 N 0.97 1.20 -0.63 2.25 2.07 -0.96 -2.13 116.25 119.02 1nku h VAL 76 Ca 0.39 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1nku h VAL 76 Cb 0.26 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1nku h VAL 76 CO -0.15 0.22 0.23 -0.08 0.02 0.00 0.00 177.57 177.81 1nku h GLU 77 N 0.87 0.93 -0.44 1.57 4.81 -0.98 -2.11 114.58 119.23 1nku h GLU 77 Ca 0.22 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1nku h GLU 77 Cb 0.04 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1nku h GLU 77 CO -0.04 0.78 0.26 -0.09 -0.73 0.00 0.00 179.01 179.19 1nku h ARG 78 N 0.91 0.61 -0.24 1.92 2.43 -0.69 -2.27 114.38 117.05 1nku h ARG 78 Ca 0.21 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1nku h ARG 78 Cb 0.21 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1nku h ARG 78 CO -0.02 0.46 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.70 1nku h LEU 79 N 0.58 0.38 -1.42 3.80 3.38 -1.11 -2.08 115.31 118.84 1nku h LEU 79 Ca 0.16 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1nku h LEU 79 Cb 0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1nku h LEU 79 CO -0.03 0.54 0.53 0.58 0.09 0.00 0.00 178.44 180.15 1nku h VAL 80 N 0.37 0.85 0.00 1.22 2.07 -0.78 -2.89 116.25 117.08 1nku h VAL 80 Ca 0.07 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1nku h VAL 80 Cb 0.45 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1nku h VAL 80 CO 0.03 0.11 -0.01 1.56 0.02 0.00 0.00 177.57 179.27 1nku h GLN 81 N 0.59 0.00 -5.59 1.57 1.08 -1.30 -3.45 115.11 108.00 1nku h GLN 81 Ca 0.40 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.93 1nku h GLN 81 Cb 0.69 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.04 1nku h GLN 81 CO -0.16 0.00 -0.48 0.16 -0.95 0.00 0.00 178.83 177.40 1nku s ASP 82 N -5.52 6.34 0.00 1.46 -4.77 -0.87 -4.86 116.67 108.44 1nku s ASP 82 Ca -0.00 0.43 0.00 0.00 -3.30 0.00 0.00 52.55 49.67 1nku s ASP 82 Cb 0.00 -2.06 0.00 0.00 -1.09 0.00 0.00 42.92 39.77 1nku s ASP 82 CO 0.01 0.38 0.00 0.00 0.70 0.00 0.00 175.17 176.25 1nku n ALA 83 N 2.21 0.00 -0.44 2.11 0.00 -1.25 -4.19 120.51 118.95 1nku n ALA 83 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1nku n ALA 83 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 0.74 0.00 0.00 0.00 -1.26 -4.97 105.19 99.70 1nku n GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.12 0.00 -4.51 -0.61 -5.35 -1.26 -5.02 119.36 100.49 1nku n ILE 85 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1nku n ILE 85 Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 37.79 1nku n ILE 85 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1nku s ILE 86 N 2.65 3.90 -0.29 7.28 1.01 -1.26 -5.08 121.20 129.42 1nku s ILE 86 Ca 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.03 1nku s ILE 86 Cb 0.00 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 1nku s ILE 86 CO 0.00 0.57 0.77 -0.13 0.00 0.00 0.00 174.94 176.15 1nku s ARG 87 N -0.52 4.03 0.00 2.79 0.52 -1.26 -4.89 118.95 119.62 1nku s ARG 87 Ca 0.08 0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.94 1nku s ARG 87 Cb -0.12 -3.70 0.00 0.00 0.52 0.00 0.00 34.95 31.65 1nku s ARG 87 CO 0.02 -0.60 0.00 0.72 0.02 0.00 0.00 175.30 175.46 1nku n HIS 88 N 6.08 0.00 -0.36 -0.53 8.25 -1.26 -5.01 115.22 122.39 1nku n HIS 88 Ca 0.03 0.00 0.32 0.00 -0.26 0.00 0.00 57.72 57.81 1nku n HIS 88 Cb 0.48 0.00 0.65 0.00 1.12 0.00 0.00 29.99 32.24 1nku n HIS 88 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1nku h ARG 89 N 0.00 0.15 -0.86 -0.41 0.11 -1.95 0.56 114.38 111.98 1nku h ARG 89 Ca 0.00 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.08 1nku h ARG 89 Cb 0.00 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.00 1nku h ARG 89 CO 0.00 0.10 0.57 0.78 0.10 0.00 0.00 179.97 181.52 1nku h GLY 90 N 0.15 1.21 0.90 0.08 0.00 -2.00 -2.43 103.07 100.99 1nku h GLY 90 Ca 0.63 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1nku h GLY 90 CO -0.17 0.44 0.06 0.50 0.00 0.00 0.00 176.54 177.37 1nku h LYS 91 N 1.17 0.54 -0.86 4.80 6.56 -0.27 -2.71 116.57 125.79 1nku h LYS 91 Ca 0.32 -0.14 0.08 0.00 -1.06 0.00 0.00 60.65 59.85 1nku h LYS 91 Cb -0.13 -0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 31.39 1nku h LYS 91 CO -0.07 0.62 0.52 0.82 -2.06 0.00 0.00 179.45 179.28 1nku h ILE 92 N 0.37 0.98 -0.52 1.86 2.04 -1.35 0.04 117.51 120.92 1nku h ILE 92 Ca 0.10 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1nku h ILE 92 Cb 0.33 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1nku h ILE 92 CO 0.00 0.17 0.30 1.56 0.00 0.00 0.00 178.15 180.18 1nku h GLN 93 N 0.91 0.71 -0.79 2.37 4.20 -1.21 -1.84 115.11 119.45 1nku h GLN 93 Ca 0.40 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 59.01 1nku h GLN 93 Cb 0.28 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1nku h GLN 93 CO -0.21 0.51 0.35 0.00 -0.67 0.00 0.00 178.83 178.81 1nku h ALA 94 N 1.61 1.02 -0.27 3.87 0.00 -0.69 -2.53 119.26 122.27 1nku h ALA 94 Ca 0.19 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 94 Cb -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1nku h ALA 94 CO -0.03 0.62 0.11 0.82 0.00 0.00 0.00 179.25 180.76 1nku h ILE 95 N 1.13 0.95 -0.86 0.00 5.03 -0.93 -1.82 117.51 121.01 1nku h ILE 95 Ca 0.27 -0.08 0.08 0.00 -0.12 0.00 0.00 64.86 65.01 1nku h ILE 95 Cb 0.16 0.69 -0.07 0.00 -3.03 0.00 0.00 36.82 34.57 1nku h ILE 95 CO -0.03 0.04 0.52 0.40 -0.68 0.00 0.00 178.15 178.40 1nku h ILE 96 N 0.24 0.97 -0.79 -0.67 2.04 -1.26 -0.96 117.51 117.09 1nku h ILE 96 Ca 0.12 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1nku h ILE 96 Cb 0.07 -0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 1nku h ILE 96 CO -0.11 0.16 0.50 1.23 0.00 0.00 0.00 178.15 179.94 1nku h GLY 97 N 0.90 1.13 1.00 5.37 0.00 -0.96 0.13 103.07 110.63 1nku h GLY 97 Ca 0.40 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1nku h GLY 97 CO -0.21 0.43 0.24 -0.57 0.00 0.00 0.00 176.54 176.43 1nku h ASN 98 N 1.07 0.42 -0.48 0.19 -1.24 -0.42 0.47 115.58 115.59 1nku h ASN 98 Ca 0.29 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.20 1nku h ASN 98 Cb -0.08 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 1nku h ASN 98 CO -0.06 0.31 -0.02 0.00 -1.29 0.00 0.00 177.43 176.38 1nku h ALA 99 N 1.13 0.66 -0.27 1.57 0.00 -0.92 0.19 119.26 121.61 1nku h ALA 99 Ca 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1nku h ALA 99 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nku h ALA 99 CO -0.03 0.47 0.10 -0.09 0.00 0.00 0.00 179.25 179.71 1nku h ARG 100 N 0.72 0.40 -0.58 0.00 2.43 -0.29 0.23 114.38 117.30 1nku h ARG 100 Ca 0.14 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1nku h ARG 100 Cb 0.53 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1nku h ARG 100 CO 0.03 0.44 -0.01 0.00 -1.51 0.00 0.00 179.97 178.92 1nku h ALA 101 N 0.94 0.88 -0.40 2.80 0.00 0.06 -2.34 119.26 121.20 1nku h ALA 101 Ca 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1nku h ALA 101 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1nku h ALA 101 CO -0.01 0.66 0.15 -0.92 0.00 0.00 0.00 179.25 179.13 1nku h TYR 102 N 0.93 0.62 -0.78 0.00 5.03 -0.31 -2.59 116.97 119.87 1nku h TYR 102 Ca 0.16 -0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.43 1nku h TYR 102 Cb 0.56 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.61 1nku h TYR 102 CO 0.04 0.56 0.52 1.25 -1.32 0.00 0.00 178.16 179.20 1nku h LEU 103 N 0.50 0.89 -0.97 2.82 5.85 -0.33 -1.85 115.31 122.22 1nku h LEU 103 Ca 0.13 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1nku h LEU 103 Cb 0.21 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1nku h LEU 103 CO -0.01 0.64 0.64 1.56 -0.34 0.00 0.00 178.44 180.93 1nku h GLN 104 N 1.05 1.28 -0.77 1.25 4.20 -1.03 -1.78 115.11 119.30 1nku h GLN 104 Ca 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1nku h GLN 104 Cb -0.10 -0.29 -0.04 0.00 0.30 0.00 0.00 27.48 27.36 1nku h GLN 104 CO -0.07 0.86 0.40 0.52 -0.67 0.00 0.00 178.83 179.87 1nku h MET 105 N 1.32 1.09 -0.13 1.46 2.86 -1.13 -1.69 114.93 118.70 1nku h MET 105 Ca 0.35 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1nku h MET 105 Cb -0.14 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.30 1nku h MET 105 CO -0.08 0.81 -0.21 1.49 1.06 0.00 0.00 176.91 179.99 1nku h GLU 106 N 1.09 0.23 -0.70 1.72 4.81 -1.13 -2.36 114.58 118.23 1nku h GLU 106 Ca 0.27 -0.07 0.17 0.00 -0.13 0.00 0.00 59.36 59.60 1nku h GLU 106 Cb 0.06 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1nku h GLU 106 CO -0.04 0.44 0.48 1.96 -0.73 0.00 0.00 179.01 181.12 1nku h GLN 107 N 0.21 0.22 -0.01 1.92 1.08 -0.70 1.02 115.11 118.86 1nku h GLN 107 Ca 0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1nku h GLN 107 Cb 0.50 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1nku h GLN 107 CO 0.03 0.15 -0.02 0.09 -0.95 0.00 0.00 178.83 178.13 1nku n ASN 108 N -4.42 0.53 -0.87 1.46 5.03 -0.89 -4.88 115.26 111.22 1nku n ASN 108 Ca 0.14 -1.05 -0.10 0.00 0.87 0.00 0.00 54.58 54.44 1nku n ASN 108 Cb 0.62 -0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 39.33 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nku n GLY 109 N 1.11 0.67 3.35 7.41 0.00 0.35 -4.99 105.19 113.11 1nku n GLY 109 Ca 0.20 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1nku n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nku s GLU 110 N -3.45 2.77 0.07 1.61 2.56 -1.22 -5.05 118.70 115.99 1nku s GLU 110 Ca 0.00 -1.12 -0.35 0.00 0.00 0.00 0.00 54.97 53.50 1nku s GLU 110 Cb 0.00 -3.69 -0.14 0.00 2.00 0.00 0.00 34.13 32.30 1nku s GLU 110 CO 0.00 -0.71 1.62 -2.30 -0.56 0.00 0.00 175.26 173.31 1nku n PRO 111 N 4.97 1.95 -0.15 4.30 -0.02 -1.26 -4.44 135.00 140.34 1nku n PRO 111 Ca -0.12 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1nku n PRO 111 Cb 0.46 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 1nku n PRO 111 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1nku h PHE 112 N 6.56 0.84 -0.97 6.00 3.04 -1.96 -2.58 116.94 127.88 1nku h PHE 112 Ca -0.46 -0.15 0.03 0.00 3.98 0.00 0.00 57.97 61.37 1nku h PHE 112 Cb 1.27 -0.22 -0.06 0.00 2.56 0.00 0.00 35.95 39.51 1nku h PHE 112 CO 0.69 0.83 0.64 0.00 -2.02 0.00 0.00 178.31 178.44 1nku h ALA 113 N 0.91 1.28 -0.20 2.41 0.00 -1.90 -1.61 119.26 120.15 1nku h ALA 113 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1nku h ALA 113 Cb 0.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1nku h ALA 113 CO 0.02 0.54 -0.32 -0.44 0.00 0.00 0.00 179.25 179.06 1nku h ASP 114 N 1.25 0.41 0.11 0.00 3.32 -1.91 -2.67 116.42 116.93 1nku h ASP 114 Ca 0.38 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1nku h ASP 114 Cb -0.03 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1nku h ASP 114 CO -0.11 0.71 -0.14 0.15 -1.72 0.00 0.00 179.24 178.13 1nku h PHE 115 N 0.35 -0.36 -0.81 4.55 3.57 -0.89 0.14 116.94 123.50 1nku h PHE 115 Ca 0.04 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1nku h PHE 115 Cb 0.74 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1nku h PHE 115 CO 0.02 -0.21 0.33 -0.39 -2.23 0.00 0.00 178.31 175.83 1nku h VAL 116 N -0.29 1.26 -0.66 1.41 -1.51 -1.47 -2.28 116.25 112.72 1nku h VAL 116 Ca 0.01 -0.82 -0.03 0.00 -1.23 0.00 0.00 66.70 64.63 1nku h VAL 116 Cb 0.29 0.29 -0.03 0.00 -2.13 0.00 0.00 31.29 29.71 1nku h VAL 116 CO -0.06 0.34 0.29 -0.50 -1.23 0.00 0.00 177.57 176.41 1nku h TRP 117 N 1.17 0.95 -0.22 5.19 4.06 -1.09 -2.03 115.95 123.98 1nku h TRP 117 Ca 0.27 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 61.16 1nku h TRP 117 Cb 0.21 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 1nku h TRP 117 CO 0.02 0.71 0.07 0.66 -3.56 0.00 0.00 178.44 176.34 1nku h SER 118 N 0.94 0.27 -0.06 -3.49 4.64 -0.14 0.69 113.55 116.41 1nku h SER 118 Ca 0.23 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1nku h SER 118 Cb 0.14 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1nku h SER 118 CO -0.02 0.27 -0.02 -0.26 -0.87 0.00 0.00 176.83 175.93 1nku h PHE 119 N 0.31 0.21 -0.64 4.77 -1.00 -1.15 -1.12 116.94 118.31 1nku h PHE 119 Ca 0.08 -0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.70 1nku h PHE 119 Cb 0.10 -0.07 -0.09 0.00 3.61 0.00 0.00 35.95 39.51 1nku h PHE 119 CO 0.00 0.25 0.18 1.33 -1.61 0.00 0.00 178.31 178.46 1nku n VAL 120 N -4.39 2.67 -1.95 -0.55 0.24 -0.65 -4.85 118.33 108.86 1nku n VAL 120 Ca -0.01 -1.42 -0.12 0.00 -2.04 0.00 0.00 64.34 60.75 1nku n VAL 120 Cb 0.18 -0.37 -0.02 0.00 -1.47 0.00 0.00 33.84 32.16 1nku n VAL 120 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nku n ASN 121 N 0.09 -4.13 -2.02 -1.34 2.85 -0.42 -2.39 115.26 107.90 1nku n ASN 121 Ca 0.34 0.09 -0.14 0.00 -0.11 0.00 0.00 54.58 54.77 1nku n ASN 121 Cb 1.26 -3.13 -0.03 0.00 1.24 0.00 0.00 39.78 39.12 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1nku n HIS 122 N -3.56 -0.95 -4.39 1.20 -0.00 0.23 -4.93 115.22 102.82 1nku n HIS 122 Ca -0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.38 1nku n HIS 122 Cb 0.55 -2.81 -0.15 0.00 -0.00 0.00 0.00 29.99 27.57 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 -4.28 0.85 0.50 1.57 1.11 -1.01 -5.01 119.66 113.38 1nku s GLN 123 Ca 0.00 -0.32 -0.21 0.00 0.01 0.00 0.00 55.36 54.84 1nku s GLN 123 Cb 0.00 -0.81 -0.07 0.00 -1.01 0.00 0.00 33.01 31.12 1nku s GLN 123 CO 0.00 0.16 1.09 -1.25 0.01 0.00 0.00 175.29 175.30 1nku s PRO 124 N -0.04 3.66 0.19 2.91 0.04 -1.26 -4.87 135.00 135.63 1nku s PRO 124 Ca 0.01 1.51 0.09 0.00 0.04 0.00 0.00 61.00 62.65 1nku s PRO 124 Cb -0.06 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1nku s PRO 124 CO -0.00 -0.58 -0.10 -0.65 0.04 0.00 0.00 177.00 175.71 1nku s GLN 125 N -3.13 2.04 0.14 4.56 -1.52 0.86 -4.98 119.66 117.62 1nku s GLN 125 Ca 0.68 -1.31 0.07 0.00 -1.95 0.00 0.00 55.36 52.86 1nku s GLN 125 Cb -0.21 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.41 1nku s GLN 125 CO 0.25 0.42 -0.16 -1.64 -0.25 0.00 0.00 175.29 173.91 1nku s MET 126 N -2.90 1.13 0.17 2.91 -1.94 -1.26 0.06 119.30 117.47 1nku s MET 126 Ca 0.25 -1.30 0.06 0.00 -1.71 0.00 0.00 55.69 52.99 1nku s MET 126 Cb -0.08 -1.13 -0.05 0.00 2.01 0.00 0.00 34.83 35.58 1nku s MET 126 CO 0.15 0.23 -0.11 -0.08 -0.01 0.00 0.00 175.02 175.20 1nku s THR 127 N -1.99 1.40 -0.41 2.05 -1.32 -1.04 -4.87 115.64 109.44 1nku s THR 127 Ca 0.11 -2.12 0.10 0.00 -1.21 0.00 0.00 61.69 58.57 1nku s THR 127 Cb -0.06 -1.95 0.42 0.00 -1.51 0.00 0.00 72.50 69.40 1nku s THR 127 CO 0.05 -0.67 1.01 0.00 -2.21 0.00 0.00 174.62 172.80 1nku n GLN 128 N -0.28 2.49 -2.95 7.08 6.02 -1.26 -4.81 117.38 123.66 1nku n GLN 128 Ca -0.09 -4.07 -0.41 0.00 -0.01 0.00 0.00 57.00 52.43 1nku n GLN 128 Cb 0.61 -1.89 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 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 -3.31 3.38 0.12 -1.58 0.00 -1.26 -4.83 121.76 114.28 1nku s ALA 129 Ca 0.41 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1nku s ALA 129 Cb 0.40 -3.10 -0.12 0.00 0.00 0.00 0.00 23.12 20.30 1nku s ALA 129 CO -0.10 -0.33 1.33 1.15 0.00 0.00 0.00 175.76 177.80 1nku h THR 130 N 4.93 1.29 -3.13 0.00 2.02 -1.97 -3.29 112.91 112.77 1nku h THR 130 Ca -0.36 -2.01 -0.53 0.00 0.77 0.00 0.00 66.41 64.27 1nku h THR 130 Cb 1.17 2.01 -0.17 0.00 -1.74 0.00 0.00 68.15 69.42 1nku h THR 130 CO 0.78 0.63 -0.78 -0.89 0.37 0.00 0.00 175.52 175.64 1nku s THR 131 N -3.72 1.92 0.48 3.16 2.01 -1.26 -4.77 115.64 113.47 1nku s THR 131 Ca -0.09 -2.02 0.19 0.00 0.31 0.00 0.00 61.69 60.08 1nku s THR 131 Cb 0.09 -1.94 0.35 0.00 0.01 0.00 0.00 72.50 71.01 1nku s THR 131 CO 0.89 -0.34 2.00 -0.07 -0.69 0.00 0.00 174.62 176.41 1nku h LEU 132 N 3.06 0.18 -1.22 4.42 3.38 -1.92 -0.92 115.31 122.29 1nku h LEU 132 Ca -0.42 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.61 1nku h LEU 132 Cb 1.21 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1nku h LEU 132 CO 0.53 0.10 0.55 0.28 0.09 0.00 0.00 178.44 180.00 1nku h SER 133 N 0.20 0.84 0.18 -0.43 0.02 -1.98 -0.70 113.55 111.68 1nku h SER 133 Ca 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1nku h SER 133 Cb 0.71 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1nku h SER 133 CO -0.04 0.55 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.66 1nku h GLU 134 N 0.96 0.06 -6.37 3.45 4.39 -1.56 -3.42 114.58 112.10 1nku h GLU 134 Ca 0.36 -0.02 -0.54 0.00 0.34 0.00 0.00 59.36 59.50 1nku h GLU 134 Cb 0.17 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1nku h GLU 134 CO -0.12 0.27 0.91 0.42 -1.16 0.00 0.00 179.01 179.33 1nku s ILE 135 N -4.57 3.54 0.26 3.13 1.01 -0.27 -4.98 121.20 119.31 1nku s ILE 135 Ca -0.04 0.90 -0.29 0.00 0.00 0.00 0.00 60.65 61.22 1nku s ILE 135 Cb 0.15 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 1nku s ILE 135 CO 0.71 -0.02 0.98 -2.16 0.00 0.00 0.00 174.94 174.45 1nku s PRO 136 N 2.71 4.78 0.00 2.79 0.04 -1.26 -4.95 135.00 139.11 1nku s PRO 136 Ca 0.67 1.54 0.23 0.00 0.04 0.00 0.00 61.00 63.49 1nku s PRO 136 Cb -0.33 -3.21 0.46 0.00 0.04 0.00 0.00 34.50 31.45 1nku s PRO 136 CO 0.28 0.43 1.42 -2.37 0.04 0.00 0.00 177.00 176.79 1nku n THR 137 N 1.33 0.49 -3.46 1.26 5.66 -1.26 -4.69 114.28 113.61 1nku n THR 137 Ca -0.01 -0.72 -0.28 0.00 -3.05 0.00 0.00 64.05 59.98 1nku n THR 137 Cb 0.47 0.92 -0.12 0.00 -1.55 0.00 0.00 70.33 70.05 1nku n THR 137 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1nku s SER 138 N -1.48 2.89 0.16 1.09 1.04 -1.26 -4.79 113.70 111.34 1nku s SER 138 Ca 0.39 -2.15 0.03 0.00 0.48 0.00 0.00 55.95 54.70 1nku s SER 138 Cb 0.22 -0.35 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 1nku s SER 138 CO 0.31 -0.31 0.26 0.42 0.98 0.00 0.00 173.24 174.91 1nku s THR 139 N 1.10 5.18 0.34 2.02 -4.23 -1.26 -4.96 115.64 113.82 1nku s THR 139 Ca 0.18 -0.78 0.11 0.00 -1.18 0.00 0.00 61.69 60.02 1nku s THR 139 Cb -0.23 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.27 1nku s THR 139 CO 0.01 -0.11 1.76 -0.65 -0.54 0.00 0.00 174.62 175.08 1nku h PRO 140 N 2.12 0.57 -0.42 3.99 0.11 -2.00 -0.10 132.00 136.27 1nku h PRO 140 Ca -0.49 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 1nku h PRO 140 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1nku h PRO 140 CO 0.67 0.37 -0.19 0.00 -0.21 0.00 0.00 178.00 178.64 1nku h ALA 141 N 1.67 0.58 -0.61 -0.75 0.00 -1.94 -1.82 119.26 116.39 1nku h ALA 141 Ca 0.60 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1nku h ALA 141 Cb 1.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1nku h ALA 141 CO -0.39 0.54 0.16 0.66 0.00 0.00 0.00 179.25 180.22 1nku h SER 142 N 0.68 0.89 -0.25 0.00 4.64 -1.45 0.18 113.55 118.25 1nku h SER 142 Ca 0.09 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1nku h SER 142 Cb 0.75 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1nku h SER 142 CO 0.06 0.86 -0.03 0.44 -0.87 0.00 0.00 176.83 177.28 1nku h ASP 143 N 0.91 0.46 -0.43 4.97 3.32 -1.11 -1.19 116.42 123.35 1nku h ASP 143 Ca 0.20 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 1nku h ASP 143 Cb 0.31 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1nku h ASP 143 CO -0.00 0.69 -0.19 0.00 -1.72 0.00 0.00 179.24 178.02 1nku h ALA 144 N 0.78 0.78 -0.72 3.45 0.00 -1.09 -2.78 119.26 119.68 1nku h ALA 144 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1nku h ALA 144 Cb 0.48 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1nku h ALA 144 CO 0.02 0.66 0.30 1.25 0.00 0.00 0.00 179.25 181.47 1nku h LEU 145 N 0.81 0.96 -0.63 0.00 6.46 -0.53 -2.17 115.31 120.21 1nku h LEU 145 Ca 0.11 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1nku h LEU 145 Cb 0.74 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1nku h LEU 145 CO 0.06 0.85 0.41 -1.28 -0.62 0.00 0.00 178.44 177.86 1nku h SER 146 N 1.03 0.71 -0.31 1.25 0.87 -0.95 -0.90 113.55 115.25 1nku h SER 146 Ca 0.24 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1nku h SER 146 Cb 0.18 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1nku h SER 146 CO -0.02 0.51 0.07 0.11 -0.53 0.00 0.00 176.83 176.97 1nku h LYS 147 N 0.84 0.59 -0.00 2.24 1.79 -1.26 0.42 116.57 121.20 1nku h LYS 147 Ca 0.23 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1nku h LYS 147 Cb -0.08 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.47 1nku h LYS 147 CO -0.06 0.57 -0.00 0.00 -1.08 0.00 0.00 179.45 178.88 1nku h ALA 148 N 1.50 0.00 -0.35 3.86 0.00 -0.67 -0.78 119.26 122.83 1nku h ALA 148 Ca 0.13 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1nku h ALA 148 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nku h ALA 148 CO 0.00 -0.34 -0.20 -0.07 0.00 0.00 0.00 179.25 178.64 1nku h LEU 149 N -0.32 0.68 -0.82 0.00 3.38 -0.97 -2.73 115.31 114.53 1nku h LEU 149 Ca 0.00 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1nku h LEU 149 Cb 0.32 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1nku h LEU 149 CO 0.00 0.88 0.54 0.50 0.09 0.00 0.00 178.44 180.45 1nku h LYS 150 N 0.60 1.06 -0.64 1.13 3.64 0.01 -1.48 116.57 120.89 1nku h LYS 150 Ca 0.09 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1nku h LYS 150 Cb 0.67 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1nku h LYS 150 CO 0.05 0.70 0.32 -0.22 -2.27 0.00 0.00 179.45 178.04 1nku h LYS 151 N 1.10 0.90 0.00 1.90 3.64 -0.84 -0.56 116.57 122.70 1nku h LYS 151 Ca 0.31 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1nku h LYS 151 Cb -0.10 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.55 1nku h LYS 151 CO -0.08 0.68 -0.01 0.00 -2.27 0.00 0.00 179.45 177.77 1nku h ARG 152 N 0.90 0.00 -0.12 1.90 3.08 -1.06 -3.45 114.38 115.63 1nku h ARG 152 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1nku h ARG 152 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nku h ARG 152 CO -0.03 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.29 1nku n GLY 153 N -0.69 1.31 3.72 0.04 0.00 -0.22 -4.89 105.19 104.46 1nku n GLY 153 Ca -0.02 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.12 3.55 0.35 1.61 0.40 -1.11 -4.92 117.98 115.74 1nku s PHE 154 Ca 0.00 1.11 -0.01 0.00 -0.60 0.00 0.00 56.93 57.43 1nku s PHE 154 Cb 0.00 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.79 1nku s PHE 154 CO 0.00 0.12 0.58 0.15 0.70 0.00 0.00 175.22 176.76 1nku s LYS 155 N 0.73 3.52 -1.34 0.44 3.01 -1.26 -4.29 119.74 120.55 1nku s LYS 155 Ca 0.33 -0.20 -0.05 0.00 -1.01 0.00 0.00 55.97 55.04 1nku s LYS 155 Cb -0.17 -2.63 0.02 0.00 -1.01 0.00 0.00 37.83 34.05 1nku s LYS 155 CO 0.15 0.12 0.93 1.19 0.51 0.00 0.00 175.35 178.26 1nku n PHE 156 N -1.64 -2.27 -1.27 3.18 3.72 -1.26 -4.88 117.46 113.04 1nku n PHE 156 Ca -0.03 0.92 0.05 0.00 -0.05 0.00 0.00 57.45 58.33 1nku n PHE 156 Cb 0.55 -4.61 0.20 0.00 -0.94 0.00 0.00 39.48 34.68 1nku n PHE 156 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1nku n VAL 157 N -4.48 2.22 -0.92 -4.37 3.14 -1.26 -4.47 118.33 108.19 1nku n VAL 157 Ca -0.16 -2.52 -0.35 0.00 -2.96 0.00 0.00 64.34 58.35 1nku n VAL 157 Cb 0.62 -0.26 0.07 0.00 -1.06 0.00 0.00 33.84 33.20 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nku n GLY 158 N -1.08 -3.60 0.39 7.55 0.00 -1.26 -4.38 105.19 102.81 1nku n GLY 158 Ca 0.22 -0.71 0.18 0.00 0.00 0.00 0.00 46.02 45.72 1nku n GLY 158 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nku h THR 159 N -1.23 0.74 -0.38 2.61 2.02 -1.97 -0.54 112.91 114.16 1nku h THR 159 Ca -0.44 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1nku h THR 159 Cb 1.31 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1nku h THR 159 CO 0.27 0.05 0.20 0.74 0.37 0.00 0.00 175.52 177.15 1nku h THR 160 N 0.26 1.16 -0.78 3.16 2.02 -1.87 -0.71 112.91 116.16 1nku h THR 160 Ca 0.36 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1nku h THR 160 Cb 1.02 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1nku h THR 160 CO -0.08 0.17 0.31 0.40 0.37 0.00 0.00 175.52 176.68 1nku h ILE 161 N 0.49 1.26 -0.68 3.11 5.03 -1.38 -2.45 117.51 122.88 1nku h ILE 161 Ca 0.13 -0.81 -0.05 0.00 -0.12 0.00 0.00 64.86 64.01 1nku h ILE 161 Cb 0.08 0.34 -0.03 0.00 -3.03 0.00 0.00 36.82 34.18 1nku h ILE 161 CO -0.02 0.33 0.25 0.00 -0.68 0.00 0.00 178.15 178.03 1nku h TYR 163 N 0.98 0.95 -0.92 0.00 3.20 -0.77 -1.83 116.97 118.59 1nku h TYR 163 Ca 0.22 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1nku h TYR 163 Cb 0.25 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1nku h TYR 163 CO 0.02 0.63 0.61 1.03 -1.64 0.00 0.00 178.16 178.81 1nku h SER 164 N 0.99 1.04 -0.68 -2.11 0.87 -1.15 -1.97 113.55 110.54 1nku h SER 164 Ca 0.26 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1nku h SER 164 Cb -0.05 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.62 1nku h SER 164 CO -0.05 0.74 0.39 0.15 -0.53 0.00 0.00 176.83 177.53 1nku h PHE 165 N 1.22 0.92 -0.83 2.24 3.57 -1.02 -2.36 116.94 120.68 1nku h PHE 165 Ca 0.35 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1nku h PHE 165 Cb -0.09 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.30 1nku h PHE 165 CO -0.00 0.64 0.55 0.52 -2.23 0.00 0.00 178.31 177.79 1nku h MET 166 N 0.93 1.05 -0.49 1.11 2.86 -0.81 0.56 114.93 120.13 1nku h MET 166 Ca 0.24 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1nku h MET 166 Cb 0.01 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1nku h MET 166 CO -0.04 0.69 0.18 1.96 1.06 0.00 0.00 176.91 180.76 1nku h GLN 167 N 1.08 0.75 0.04 1.72 4.20 -1.14 -1.72 115.11 120.04 1nku h GLN 167 Ca 0.32 -0.14 -0.22 0.00 0.06 0.00 0.00 58.65 58.66 1nku h GLN 167 Cb -0.06 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 27.63 1nku h GLN 167 CO -0.08 0.68 -0.90 0.00 -0.67 0.00 0.00 178.83 177.86 1nku h ALA 168 N 1.03 0.05 -0.72 3.87 0.00 -1.09 -3.16 119.26 119.24 1nku h ALA 168 Ca 0.16 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1nku h ALA 168 Cb 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1nku h ALA 168 CO -0.01 0.52 0.47 0.00 0.00 0.00 0.00 179.25 180.24 1nku n GLY 170 N -1.44 0.80 0.36 0.00 0.00 -0.65 -1.55 105.19 102.71 1nku n GLY 170 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1nku n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nku h LEU 171 N 0.00 0.65 -8.52 0.99 3.38 -1.84 -3.37 115.31 106.59 1nku h LEU 171 Ca 0.00 0.02 -0.48 0.00 0.09 0.00 0.00 57.88 57.51 1nku h LEU 171 Cb 0.00 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 40.42 1nku h LEU 171 CO 0.00 0.38 -0.80 0.68 0.09 0.00 0.00 178.44 178.79 1nku s VAL 172 N -5.67 1.37 -0.39 1.22 -7.23 -1.26 -0.10 120.40 108.35 1nku s VAL 172 Ca -0.10 -1.40 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 1nku s VAL 172 Cb 0.20 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.89 1nku s VAL 172 CO 0.78 -0.15 0.25 0.21 -0.31 0.00 0.00 175.10 175.89 1nku s ASN 173 N -1.80 5.92 -0.49 4.85 3.84 0.11 -4.79 114.94 122.59 1nku s ASN 173 Ca 0.02 -0.96 0.03 0.00 0.21 0.00 0.00 52.86 52.16 1nku s ASN 173 Cb -0.10 -2.09 0.13 0.00 -0.55 0.00 0.00 41.25 38.63 1nku s ASN 173 CO 0.03 -0.42 0.23 -1.81 -2.79 0.00 0.00 177.10 172.34 1nku s ASP 174 N 1.62 4.51 0.00 -4.21 1.01 -1.26 -2.51 116.67 115.83 1nku s ASP 174 Ca 0.03 -2.79 0.00 0.00 0.71 0.00 0.00 52.55 50.51 1nku s ASP 174 Cb -0.19 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.08 1nku s ASP 174 CO 0.08 -0.28 0.00 1.41 0.21 0.00 0.00 175.17 176.59 1nku n HIS 175 N 3.43 0.00 -3.82 4.23 8.25 -1.26 -5.04 115.22 121.01 1nku n HIS 175 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 1nku n HIS 175 Cb 0.35 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.33 1nku n HIS 175 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nku s VAL 176 N 3.16 -0.00 -0.78 1.59 1.01 -1.26 -4.79 120.40 119.33 1nku s VAL 176 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 1nku s VAL 176 Cb 0.00 -0.22 -0.24 0.00 0.00 0.00 0.00 36.38 35.92 1nku s VAL 176 CO 0.00 0.00 1.89 0.55 0.00 0.00 0.00 175.10 177.54 1nku n VAL 177 N 3.06 0.00 0.00 2.92 3.14 -1.24 0.04 118.33 126.25 1nku n VAL 177 Ca -0.13 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1nku n VAL 177 Cb 0.59 -1.77 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 1nku n VAL 177 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nku n GLY 178 N 5.73 0.05 1.93 7.55 0.00 -0.80 -4.98 105.19 114.67 1nku n GLY 178 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.39 1nku n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku s TYR 182 N -4.68 3.09 0.19 0.00 5.04 -1.20 -4.92 117.35 114.87 1nku s TYR 182 Ca -0.05 -3.13 0.27 0.00 -2.44 0.00 0.00 57.07 51.72 1nku s TYR 182 Cb 0.15 -2.39 1.16 0.00 0.35 0.00 0.00 41.96 41.24 1nku s TYR 182 CO 0.56 -0.61 1.92 -1.35 -1.34 0.00 0.00 175.55 174.73 1nku h PRO 183 N 5.54 0.00 0.00 4.97 0.11 -1.89 -2.11 132.00 138.62 1nku h PRO 183 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1nku h PRO 183 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1nku h PRO 183 CO 0.65 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.00 1nku n GLY 184 N -0.06 0.81 2.34 -0.55 0.00 -1.26 -3.88 105.19 102.59 1nku n GLY 184 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1nku n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nku n ASN 185 N 0.00 -4.36 -3.65 1.61 6.94 -1.26 -4.94 115.26 109.60 1nku n ASN 185 Ca 0.00 0.25 -0.28 0.00 -0.02 0.00 0.00 54.58 54.53 1nku n ASN 185 Cb 0.00 -2.75 -0.11 0.00 -2.36 0.00 0.00 39.78 34.56 1nku n ASN 185 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1nku s LYS 186 N -2.77 1.67 0.00 -3.83 2.20 -1.25 -5.30 119.74 110.46 1nku s LYS 186 Ca 0.00 -2.70 0.00 0.00 -0.36 0.00 0.00 55.97 52.91 1nku s LYS 186 Cb 0.00 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1nku s LYS 186 CO 0.00 -1.33 0.28 -2.30 -0.36 0.00 0.00 175.35 171.64