#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 2.96 0.27 3.17 -1.05 -1.26 -5.12 118.70 117.66 1nku s GLU 2 Ca 0.00 -0.99 0.10 0.00 -0.15 0.00 0.00 54.97 53.92 1nku s GLU 2 Cb 0.00 -2.60 -0.04 0.00 -0.44 0.00 0.00 34.13 31.04 1nku s GLU 2 CO 0.00 0.42 -0.02 1.03 0.95 0.00 0.00 175.26 177.65 1nku s ARG 3 N -3.68 2.25 0.36 -4.83 0.52 -1.26 -4.20 118.95 108.10 1nku s ARG 3 Ca 0.32 -1.44 -0.26 0.00 -0.52 0.00 0.00 55.73 53.83 1nku s ARG 3 Cb -0.08 -2.13 -0.12 0.00 0.52 0.00 0.00 34.95 33.13 1nku s ARG 3 CO 0.25 0.36 0.99 0.00 0.02 0.00 0.00 175.30 176.92 1nku h GLY 5 N 1.75 0.00 -0.50 0.00 0.00 -1.98 -2.43 103.07 99.91 1nku h GLY 5 Ca -0.42 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.25 1nku h GLY 5 CO 0.58 0.00 0.82 1.49 0.00 0.00 0.00 176.54 179.43 1nku h TRP 6 N 0.00 0.33 -2.53 5.60 4.06 -1.96 -3.39 115.95 118.06 1nku h TRP 6 Ca 0.00 0.01 -0.53 0.00 2.06 0.00 0.00 58.89 60.44 1nku h TRP 6 Cb 0.30 -0.09 0.04 0.00 -1.00 0.00 0.00 29.16 28.41 1nku h TRP 6 CO 0.00 -0.01 1.10 1.33 -3.56 0.00 0.00 178.44 177.30 1nku n VAL 7 N -4.41 0.30 0.00 1.49 0.24 -0.92 -4.94 118.33 110.09 1nku n VAL 7 Ca 0.28 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 1nku n VAL 7 Cb 1.18 -2.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 1nku n VAL 7 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1nku n SER 8 N 5.36 0.00 0.00 -1.34 7.64 -1.26 -5.03 113.62 118.99 1nku n SER 8 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1nku n SER 8 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1nku n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nku n GLN 9 N -0.07 0.00 -1.98 1.43 10.64 -1.26 -5.12 117.38 121.02 1nku n GLN 9 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 1nku n GLN 9 Cb 0.00 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.39 1nku n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1nku s ASP 10 N -0.87 5.81 0.30 2.61 1.01 -1.26 -4.92 116.67 119.35 1nku s ASP 10 Ca 0.00 2.62 0.08 0.00 0.71 0.00 0.00 52.55 55.96 1nku s ASP 10 Cb 0.00 -2.63 0.48 0.00 1.01 0.00 0.00 42.92 41.78 1nku s ASP 10 CO 0.00 -1.19 1.71 1.55 0.21 0.00 0.00 175.17 177.44 1nku h PRO 11 N 1.96 0.17 -0.75 8.23 0.13 -1.99 -3.08 132.00 136.66 1nku h PRO 11 Ca -0.50 -0.08 -0.06 0.00 -0.87 0.00 0.00 66.00 64.49 1nku h PRO 11 Cb 1.27 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1nku h PRO 11 CO 0.60 0.58 0.25 1.25 -0.23 0.00 0.00 178.00 180.44 1nku h LEU 12 N 0.14 1.07 -0.09 1.56 6.46 -1.99 0.13 115.31 122.59 1nku h LEU 12 Ca 0.01 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1nku h LEU 12 Cb 0.83 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1nku h LEU 12 CO 0.06 0.98 0.03 0.22 -0.62 0.00 0.00 178.44 179.12 1nku h TYR 13 N 1.11 0.15 -0.33 1.25 5.03 -1.93 -2.00 116.97 120.26 1nku h TYR 13 Ca 0.24 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.46 1nku h TYR 13 Cb 0.28 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.50 1nku h TYR 13 CO 0.02 0.30 -0.14 0.82 -1.32 0.00 0.00 178.16 177.85 1nku h ILE 14 N -0.04 1.24 -0.86 1.81 2.04 -1.48 -1.45 117.51 118.77 1nku h ILE 14 Ca 0.03 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1nku h ILE 14 Cb 0.22 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1nku h ILE 14 CO -0.00 0.36 0.57 0.00 0.00 0.00 0.00 178.15 179.08 1nku h ALA 15 N 1.32 1.10 -0.52 1.87 0.00 -0.52 -0.87 119.26 121.64 1nku h ALA 15 Ca 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 15 Cb 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1nku h ALA 15 CO 0.03 0.49 -0.02 -0.92 0.00 0.00 0.00 179.25 178.83 1nku h TYR 16 N 1.16 0.96 -0.42 0.00 3.20 -0.84 -1.15 116.97 119.89 1nku h TYR 16 Ca 0.32 -0.16 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1nku h TYR 16 Cb -0.12 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 37.85 1nku h TYR 16 CO -0.01 0.89 0.17 1.25 -1.64 0.00 0.00 178.16 178.81 1nku h HIS 17 N 0.82 0.31 -0.04 -3.82 2.76 -0.13 -1.50 115.15 113.54 1nku h HIS 17 Ca 0.15 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.20 1nku h HIS 17 Cb 0.52 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1nku h HIS 17 CO 0.03 0.13 -0.62 -0.44 -1.30 0.00 0.00 177.93 175.74 1nku h ASP 18 N 0.35 0.19 0.00 3.26 3.32 -1.09 -3.37 116.42 119.08 1nku h ASP 18 Ca 0.19 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1nku h ASP 18 Cb 0.15 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1nku h ASP 18 CO -0.17 0.76 0.00 0.59 -1.72 0.00 0.00 179.24 178.70 1nku n ASN 19 N -3.84 0.00 -3.58 6.45 3.02 -0.45 -4.88 115.26 111.97 1nku n ASN 19 Ca -0.02 0.64 -0.12 0.00 -0.03 0.00 0.00 54.58 55.05 1nku n ASN 19 Cb 0.62 -0.37 -0.11 0.00 -0.61 0.00 0.00 39.78 39.31 1nku n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1nku s GLU 20 N -1.67 0.23 -0.31 3.52 2.02 -0.63 -5.05 118.70 116.81 1nku s GLU 20 Ca 0.00 0.70 -0.11 0.00 0.02 0.00 0.00 54.97 55.58 1nku s GLU 20 Cb 0.00 -0.19 0.19 0.00 0.10 0.00 0.00 34.13 34.22 1nku s GLU 20 CO 0.00 -0.40 1.07 -0.46 0.02 0.00 0.00 175.26 175.50 1nku s TRP 21 N 2.48 -0.32 0.00 1.61 -0.00 -1.26 -4.70 118.94 116.76 1nku s TRP 21 Ca 0.04 0.08 0.00 0.00 -0.00 0.00 0.00 56.10 56.22 1nku s TRP 21 Cb -0.13 0.06 0.00 0.00 -0.00 0.00 0.00 33.47 33.40 1nku s TRP 21 CO -0.11 -0.21 0.00 0.41 -0.00 0.00 0.00 176.95 177.04 1nku n GLY 22 N 4.03 0.32 3.72 5.86 0.00 0.28 -4.93 105.19 114.47 1nku n GLY 22 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 4.79 -0.10 1.61 1.01 -1.26 -4.48 120.40 119.97 1nku s VAL 23 Ca 0.00 1.83 -0.38 0.00 0.00 0.00 0.00 61.98 63.43 1nku s VAL 23 Cb 0.00 -4.21 -0.16 0.00 0.00 0.00 0.00 36.38 32.01 1nku s VAL 23 CO 0.00 0.26 1.57 -2.65 0.00 0.00 0.00 175.10 174.29 1nku n PRO 24 N 3.36 1.23 -4.97 2.72 -0.02 -1.26 -4.10 135.00 131.95 1nku n PRO 24 Ca 0.02 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 1nku n PRO 24 Cb 0.50 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.17 2.92 0.00 -0.52 2.02 -0.09 -4.97 118.70 120.22 1nku s GLU 25 Ca 0.92 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 55.22 1nku s GLU 25 Cb -0.99 -2.42 0.10 0.00 0.10 0.00 0.00 34.13 30.92 1nku s GLU 25 CO 0.56 0.36 0.86 0.25 0.02 0.00 0.00 175.26 177.31 1nku n THR 26 N 3.06 0.28 -2.93 3.63 -2.24 -1.26 -4.95 114.28 109.87 1nku n THR 26 Ca -0.18 -0.64 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 1nku n THR 26 Cb 0.52 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 1nku n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nku s ASP 27 N -0.72 6.75 0.26 3.42 2.15 -1.26 -4.92 116.67 122.35 1nku s ASP 27 Ca 0.10 0.89 -0.03 0.00 0.43 0.00 0.00 52.55 53.95 1nku s ASP 27 Cb 0.07 -2.42 0.33 0.00 -0.30 0.00 0.00 42.92 40.60 1nku s ASP 27 CO 0.10 -0.53 1.83 -1.28 -0.17 0.00 0.00 175.17 175.12 1nku h SER 28 N 7.83 0.90 -0.49 -0.34 0.87 -1.98 -2.55 113.55 117.80 1nku h SER 28 Ca -0.24 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1nku h SER 28 Cb 1.10 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 1nku h SER 28 CO 0.86 0.82 0.28 0.11 -0.53 0.00 0.00 176.83 178.37 1nku h LYS 29 N 0.95 0.53 -0.38 2.24 1.57 -1.99 0.80 116.57 120.29 1nku h LYS 29 Ca 0.22 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1nku h LYS 29 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1nku h LYS 29 CO -0.01 0.35 0.01 0.87 -0.57 0.00 0.00 179.45 180.10 1nku h LYS 30 N 0.55 0.67 -0.52 3.15 1.57 -1.92 -2.40 116.57 117.67 1nku h LYS 30 Ca 0.20 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1nku h LYS 30 Cb 0.05 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1nku h LYS 30 CO -0.10 0.76 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.45 1nku h LEU 31 N 0.49 0.91 -0.23 2.94 3.38 -1.13 -1.85 115.31 119.82 1nku h LEU 31 Ca 0.11 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1nku h LEU 31 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1nku h LEU 31 CO 0.02 1.00 0.13 0.15 0.09 0.00 0.00 178.44 179.83 1nku h PHE 32 N 0.79 0.32 -0.12 1.13 3.57 -0.79 -2.51 116.94 119.33 1nku h PHE 32 Ca 0.15 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 1nku h PHE 32 Cb 0.54 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1nku h PHE 32 CO 0.04 0.28 -0.22 0.93 -2.23 0.00 0.00 178.31 177.10 1nku h GLU 33 N 0.26 0.20 0.23 1.11 5.08 -1.37 -2.91 114.58 117.19 1nku h GLU 33 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1nku h GLU 33 Cb 0.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1nku h GLU 33 CO -0.01 0.43 -0.11 1.98 -1.00 0.00 0.00 179.01 180.29 1nku h MET 34 N 0.19 -0.30 -0.31 2.33 4.05 -0.90 0.25 114.93 120.24 1nku h MET 34 Ca 0.03 0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.42 1nku h MET 34 Cb 0.51 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1nku h MET 34 CO 0.03 -0.12 -0.05 0.97 0.23 0.00 0.00 176.91 177.98 1nku h ILE 35 N -0.42 1.20 -0.14 1.77 6.09 -1.48 -1.27 117.51 123.26 1nku h ILE 35 Ca -0.03 -0.85 -0.13 0.00 -1.37 0.00 0.00 64.86 62.48 1nku h ILE 35 Cb 0.32 1.03 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1nku h ILE 35 CO 0.05 0.28 -0.41 0.00 -3.07 0.00 0.00 178.15 175.01 1nku h LEU 37 N 0.16 0.81 -1.55 0.00 5.85 -0.30 -2.83 115.31 117.45 1nku h LEU 37 Ca -0.01 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1nku h LEU 37 Cb 1.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1nku h LEU 37 CO 0.09 0.88 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.50 1nku h GLU 38 N 0.71 0.00 -0.84 1.25 3.07 -1.29 -2.80 114.58 114.69 1nku h GLU 38 Ca 0.15 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.20 1nku h GLU 38 Cb 0.43 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.28 1nku h GLU 38 CO 0.01 0.24 0.56 0.78 -1.40 0.00 0.00 179.01 179.20 1nku h GLY 39 N 0.90 0.72 1.77 -3.84 0.00 -1.22 0.32 103.07 101.71 1nku h GLY 39 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1nku h GLY 39 CO 0.03 0.02 -0.16 0.61 0.00 0.00 0.00 176.54 177.04 1nku n GLN 40 N -4.48 0.21 -0.15 4.80 0.00 -1.05 -3.68 117.38 113.03 1nku n GLN 40 Ca 0.17 0.14 0.04 0.00 0.00 0.00 0.00 57.00 57.36 1nku n GLN 40 Cb 0.66 -1.72 0.34 0.00 0.00 0.00 0.00 30.24 29.53 1nku n GLN 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.06 176.50 1nku h GLN 41 N 0.00 0.75 -6.08 2.61 3.07 -0.45 -3.40 115.11 111.62 1nku h GLN 41 Ca 0.00 -0.05 -0.80 0.00 0.09 0.00 0.00 58.65 57.90 1nku h GLN 41 Cb 0.69 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 28.09 1nku h GLN 41 CO 0.00 0.50 0.84 0.00 0.09 0.00 0.00 178.83 180.26 1nku n ALA 42 N -2.45 -0.64 0.00 0.06 0.00 -1.24 0.25 120.51 116.49 1nku n ALA 42 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1nku n ALA 42 Cb 0.14 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 4.27 1.56 0.00 0.00 0.00 -1.26 -5.02 105.19 104.74 1nku n GLY 43 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.47 0.99 4.32 0.69 -5.15 117.00 113.38 1nku n LEU 44 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 1nku n LEU 44 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1nku n LEU 44 CO 0.00 -0.08 -0.50 -0.44 -1.22 0.00 0.00 177.39 175.15 1nku s SER 45 N -0.91 3.72 0.28 -1.43 0.01 -1.26 -4.98 113.70 109.13 1nku s SER 45 Ca 0.00 -0.72 0.02 0.00 1.31 0.00 0.00 55.95 56.56 1nku s SER 45 Cb 0.00 -0.43 0.60 0.00 0.21 0.00 0.00 66.02 66.41 1nku s SER 45 CO 0.00 0.14 1.80 -0.25 0.41 0.00 0.00 173.24 175.33 1nku h TRP 46 N 3.32 1.02 -0.70 2.43 2.91 -2.00 0.24 115.95 123.16 1nku h TRP 46 Ca -0.48 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.56 1nku h TRP 46 Cb 1.19 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 29.50 1nku h TRP 46 CO 0.65 0.31 0.36 0.97 -1.03 0.00 0.00 178.44 179.70 1nku h ILE 47 N 0.82 1.22 -0.52 2.65 6.09 -2.01 -2.22 117.51 123.54 1nku h ILE 47 Ca 0.51 -0.57 -0.11 0.00 -1.37 0.00 0.00 64.86 63.32 1nku h ILE 47 Cb 0.66 0.29 -0.02 0.00 0.47 0.00 0.00 36.82 38.22 1nku h ILE 47 CO -0.33 0.25 -0.10 0.74 -3.07 0.00 0.00 178.15 175.64 1nku h THR 48 N 0.99 1.26 -0.48 2.19 2.02 -1.37 -3.01 112.91 114.51 1nku h THR 48 Ca 0.25 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1nku h THR 48 Cb 0.06 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1nku h THR 48 CO -0.04 0.43 0.31 0.58 0.37 0.00 0.00 175.52 177.18 1nku h VAL 49 N 0.86 1.13 -0.41 3.16 2.07 -0.78 -0.76 116.25 121.52 1nku h VAL 49 Ca 0.14 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1nku h VAL 49 Cb 0.64 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1nku h VAL 49 CO 0.04 0.13 0.21 -0.07 0.02 0.00 0.00 177.57 177.90 1nku h LEU 50 N 0.65 0.31 -0.78 2.57 3.38 -1.38 0.57 115.31 120.61 1nku h LEU 50 Ca 0.17 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1nku h LEU 50 Cb -0.06 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1nku h LEU 50 CO -0.04 0.22 0.49 0.11 0.09 0.00 0.00 178.44 179.31 1nku h LYS 51 N 0.42 0.90 -0.19 1.13 1.57 -1.34 0.12 116.57 119.19 1nku h LYS 51 Ca 0.17 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1nku h LYS 51 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1nku h LYS 51 CO -0.12 0.59 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.03 1nku h LYS 52 N 0.92 0.29 -0.60 3.15 1.63 0.37 -2.70 116.57 119.64 1nku h LYS 52 Ca 0.33 -0.07 0.10 0.00 -0.85 0.00 0.00 60.65 60.16 1nku h LYS 52 Cb 0.09 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.60 1nku h LYS 52 CO -0.14 0.41 0.19 -0.09 -3.45 0.00 0.00 179.45 176.37 1nku h ARG 53 N 0.28 0.33 -0.14 1.90 2.43 0.28 1.24 114.38 120.70 1nku h ARG 53 Ca 0.06 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1nku h ARG 53 Cb 0.36 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1nku h ARG 53 CO 0.02 0.22 -0.41 0.93 -1.51 0.00 0.00 179.97 179.22 1nku h GLU 54 N 0.34 0.53 -0.57 0.20 3.07 -1.36 -2.89 114.58 113.90 1nku h GLU 54 Ca 0.31 -0.38 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 1nku h GLU 54 Cb 0.41 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1nku h GLU 54 CO -0.34 1.00 0.03 -0.91 -1.40 0.00 0.00 179.01 177.38 1nku h ASN 55 N 0.15 0.93 -0.57 1.42 -0.26 -1.12 -2.71 115.58 113.41 1nku h ASN 55 Ca -0.01 -0.24 0.04 0.00 -0.56 0.00 0.00 56.30 55.54 1nku h ASN 55 Cb 1.03 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 37.99 1nku h ASN 55 CO 0.09 0.97 0.31 0.22 -1.06 0.00 0.00 177.43 177.96 1nku h TYR 56 N 0.89 0.58 -0.03 1.19 3.20 0.15 0.14 116.97 123.10 1nku h TYR 56 Ca 0.17 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1nku h TYR 56 Cb 0.48 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1nku h TYR 56 CO 0.03 0.29 -0.10 0.00 -1.64 0.00 0.00 178.16 176.74 1nku h ARG 57 N 0.60 0.04 -0.58 1.82 2.47 -1.28 0.19 114.38 117.65 1nku h ARG 57 Ca 0.25 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.93 1nku h ARG 57 Cb 0.12 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 1nku h ARG 57 CO -0.15 0.14 0.23 0.00 0.56 0.00 0.00 179.97 180.75 1nku h ALA 58 N 1.86 0.75 0.06 0.04 0.00 -0.67 -1.74 119.26 119.56 1nku h ALA 58 Ca 0.01 -0.17 -0.36 0.00 0.00 0.00 0.00 54.91 54.39 1nku h ALA 58 Cb 0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1nku h ALA 58 CO 0.01 0.36 -2.04 0.00 0.00 0.00 0.00 179.25 177.58 1nku h PHE 60 N -0.22 0.17 -0.30 0.00 -1.00 -0.74 -3.31 116.94 111.54 1nku h PHE 60 Ca -0.48 -0.11 0.03 0.00 2.81 0.00 0.00 57.97 60.23 1nku h PHE 60 Cb 1.84 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 41.38 1nku h PHE 60 CO 0.05 1.02 0.20 1.25 -1.61 0.00 0.00 178.31 179.23 1nku h HIS 61 N -0.73 0.26 -0.91 -0.55 2.76 -1.40 -1.43 115.15 113.14 1nku h HIS 61 Ca -0.03 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.31 1nku h HIS 61 Cb 1.10 -0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.90 1nku h HIS 61 CO 0.23 0.15 0.59 0.37 -1.30 0.00 0.00 177.93 177.97 1nku h GLN 62 N 0.27 0.58 -0.01 5.26 4.15 -1.64 0.14 115.11 123.86 1nku h GLN 62 Ca 0.13 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1nku h GLN 62 Cb 0.17 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1nku h GLN 62 CO -0.03 0.38 -0.53 1.19 -1.93 0.00 0.00 178.83 177.92 1nku n PHE 63 N -4.58 0.00 -1.11 3.99 3.01 -0.59 -5.07 117.46 113.12 1nku n PHE 63 Ca 0.19 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.67 1nku n PHE 63 Cb 0.57 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 1nku n PHE 63 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nku n ASP 64 N -0.72 -5.99 -0.14 4.37 2.03 0.48 -3.86 116.55 112.73 1nku n ASP 64 Ca 0.08 1.30 -0.06 0.00 0.52 0.00 0.00 54.79 56.63 1nku n ASP 64 Cb 0.39 -3.38 0.11 0.00 -0.72 0.00 0.00 41.12 37.51 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nku h PRO 65 N -0.06 0.89 -0.38 -0.67 0.13 -1.87 -2.77 132.00 127.26 1nku h PRO 65 Ca -0.02 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1nku h PRO 65 Cb 0.74 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1nku h PRO 65 CO 0.01 0.90 0.24 0.28 -0.23 0.00 0.00 178.00 179.20 1nku h VAL 66 N 0.82 1.12 -0.40 1.56 2.07 -1.98 -1.93 116.25 117.50 1nku h VAL 66 Ca 0.15 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1nku h VAL 66 Cb 0.51 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1nku h VAL 66 CO 0.03 0.11 0.08 0.50 0.02 0.00 0.00 177.57 178.31 1nku h LYS 67 N 0.51 0.61 -0.84 1.57 3.64 -1.65 -2.38 116.57 118.03 1nku h LYS 67 Ca 0.14 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1nku h LYS 67 Cb -0.02 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.65 1nku h LYS 67 CO -0.03 0.57 0.53 0.28 -2.27 0.00 0.00 179.45 178.53 1nku h VAL 68 N 0.59 1.08 -0.06 2.00 2.07 -1.06 0.70 116.25 121.57 1nku h VAL 68 Ca 0.13 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1nku h VAL 68 Cb 0.26 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1nku h VAL 68 CO 0.00 0.18 -0.31 0.00 0.02 0.00 0.00 177.57 177.46 1nku h ALA 69 N 1.38 1.37 -0.55 1.67 0.00 -1.11 -1.28 119.26 120.74 1nku h ALA 69 Ca 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 69 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nku h ALA 69 CO -0.15 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1nku n ALA 70 N -2.48 3.45 -2.97 0.00 0.00 0.25 -4.79 120.51 113.97 1nku n ALA 70 Ca -0.02 -1.58 -0.21 0.00 0.00 0.00 0.00 53.44 51.63 1nku n ALA 70 Cb 0.38 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.25 3.43 0.33 0.00 1.75 0.22 -5.00 119.30 117.78 1nku s MET 71 Ca 0.48 -0.76 0.08 0.00 -1.25 0.00 0.00 55.69 54.23 1nku s MET 71 Cb 0.34 -2.89 -0.03 0.00 2.84 0.00 0.00 34.83 35.09 1nku s MET 71 CO 0.18 0.43 0.26 -1.14 -0.65 0.00 0.00 175.02 174.10 1nku s GLN 72 N -3.95 2.67 0.61 4.11 2.00 -1.26 -4.97 119.66 118.87 1nku s GLN 72 Ca 0.34 -1.32 0.32 0.00 -2.00 0.00 0.00 55.36 52.70 1nku s GLN 72 Cb -0.09 -2.43 1.85 0.00 0.80 0.00 0.00 33.01 33.14 1nku s GLN 72 CO 0.29 0.12 2.17 1.49 -0.50 0.00 0.00 175.29 178.86 1nku h GLU 73 N 1.32 0.00 -0.96 1.67 4.81 -1.99 -0.88 114.58 118.56 1nku h GLU 73 Ca -0.45 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1nku h GLU 73 Cb 1.25 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.55 1nku h GLU 73 CO 0.59 0.00 0.61 1.05 -0.73 0.00 0.00 179.01 180.53 1nku h GLU 74 N 0.00 0.62 -0.88 1.92 4.11 -2.01 0.50 114.58 118.85 1nku h GLU 74 Ca 0.04 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.47 1nku h GLU 74 Cb 0.30 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1nku h GLU 74 CO -0.00 0.41 0.58 0.22 0.07 0.00 0.00 179.01 180.29 1nku h ASP 75 N 0.64 0.94 -0.77 3.06 3.58 -1.55 -1.15 116.42 121.17 1nku h ASP 75 Ca 0.52 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 58.01 1nku h ASP 75 Cb 0.95 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 41.73 1nku h ASP 75 CO -0.27 0.64 0.46 0.58 -2.88 0.00 0.00 179.24 177.78 1nku h VAL 76 N 1.09 1.01 -0.57 2.25 2.07 -0.14 0.19 116.25 122.15 1nku h VAL 76 Ca 0.35 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1nku h VAL 76 Cb 0.03 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 1nku h VAL 76 CO -0.10 0.16 0.38 -0.08 0.02 0.00 0.00 177.57 177.94 1nku h GLU 77 N 0.85 0.66 -0.05 1.57 4.57 -1.01 0.11 114.58 121.28 1nku h GLU 77 Ca 0.34 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1nku h GLU 77 Cb 0.17 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1nku h GLU 77 CO -0.17 0.44 -0.03 0.00 -1.18 0.00 0.00 179.01 178.06 1nku h ARG 78 N 0.68 0.10 -0.29 1.92 2.47 -0.34 -2.56 114.38 116.36 1nku h ARG 78 Ca 0.23 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.85 1nku h ARG 78 Cb 0.06 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1nku h ARG 78 CO -0.06 0.53 -0.03 -0.07 0.56 0.00 0.00 179.97 180.90 1nku h LEU 79 N -0.32 0.43 -1.05 3.04 3.38 -0.50 0.52 115.31 120.80 1nku h LEU 79 Ca 0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1nku h LEU 79 Cb 0.51 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1nku h LEU 79 CO 0.01 0.52 0.24 0.58 0.09 0.00 0.00 178.44 179.87 1nku h VAL 80 N 0.43 1.22 0.01 1.22 2.07 -0.73 -3.13 116.25 117.35 1nku h VAL 80 Ca 0.09 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1nku h VAL 80 Cb 0.34 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1nku h VAL 80 CO 0.01 0.28 -0.17 -0.61 0.02 0.00 0.00 177.57 177.11 1nku h GLN 81 N 0.90 0.02 -6.02 1.57 4.15 -0.89 -3.46 115.11 111.38 1nku h GLN 81 Ca 0.21 -0.03 -0.59 0.00 0.77 0.00 0.00 58.65 59.02 1nku h GLN 81 Cb 0.19 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1nku h GLN 81 CO -0.02 1.01 -0.45 -0.51 -1.93 0.00 0.00 178.83 176.94 1nku s ASP 82 N -6.32 6.38 0.00 -0.69 1.01 0.17 -4.80 116.67 112.41 1nku s ASP 82 Ca -0.20 0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.37 1nku s ASP 82 Cb -0.02 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.94 1nku s ASP 82 CO 0.69 0.10 0.00 0.00 0.21 0.00 0.00 175.17 176.17 1nku n ALA 83 N -0.06 -2.41 0.49 5.23 0.00 -1.26 -4.32 120.51 118.19 1nku n ALA 83 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1nku n ALA 83 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.17 0.31 0.00 0.00 0.00 -1.26 -4.47 105.19 99.59 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 0.08 0.00 -4.78 -0.61 -5.35 -1.26 -4.81 119.36 102.63 1nku n ILE 85 Ca 0.00 0.03 -0.27 0.00 -0.27 0.00 0.00 62.75 62.25 1nku n ILE 85 Cb 0.07 -0.69 -0.15 0.00 -1.74 0.00 0.00 39.64 37.13 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 0.00 1.73 -0.33 7.28 1.01 -1.26 -5.11 121.20 124.51 1nku s ILE 86 Ca 0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 60.65 59.33 1nku s ILE 86 Cb 0.00 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1nku s ILE 86 CO 0.00 0.30 0.52 -0.60 0.00 0.00 0.00 174.94 175.15 1nku s ARG 87 N -1.00 3.72 0.00 2.79 6.06 -1.26 -4.93 118.95 124.33 1nku s ARG 87 Ca 0.08 -0.05 0.00 0.00 -2.50 0.00 0.00 55.73 53.26 1nku s ARG 87 Cb -0.09 -3.77 0.00 0.00 0.06 0.00 0.00 34.95 31.15 1nku s ARG 87 CO 0.01 -0.58 0.00 1.58 -2.50 0.00 0.00 175.30 173.81 1nku n HIS 88 N 5.71 0.00 -0.27 5.12 -0.00 -1.26 -5.01 115.22 119.51 1nku n HIS 88 Ca -0.05 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.29 1nku n HIS 88 Cb 0.49 0.00 0.44 0.00 -0.12 0.00 0.00 29.99 30.80 1nku n HIS 88 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nku h ARG 89 N 0.00 0.54 -0.48 1.57 3.08 -1.96 -1.09 114.38 116.02 1nku h ARG 89 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1nku h ARG 89 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1nku h ARG 89 CO 0.00 0.35 0.26 0.78 -1.07 0.00 0.00 179.97 180.29 1nku h GLY 90 N 0.55 0.73 0.85 0.04 0.00 -1.99 -1.66 103.07 101.59 1nku h GLY 90 Ca 0.48 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1nku h GLY 90 CO -0.22 0.32 -0.03 0.50 0.00 0.00 0.00 176.54 177.12 1nku h LYS 91 N 0.64 0.46 -0.52 4.80 1.79 -1.61 -2.32 116.57 119.82 1nku h LYS 91 Ca 0.17 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1nku h LYS 91 Cb 0.07 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 1nku h LYS 91 CO -0.03 0.66 0.33 0.82 -1.08 0.00 0.00 179.45 180.15 1nku h ILE 92 N 0.22 1.15 -0.81 1.86 2.04 -1.42 -1.82 117.51 118.73 1nku h ILE 92 Ca 0.07 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.65 1nku h ILE 92 Cb 0.47 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1nku h ILE 92 CO 0.02 0.15 0.53 -0.61 0.00 0.00 0.00 178.15 178.24 1nku h GLN 93 N 0.70 0.93 -0.57 2.37 4.15 -1.22 -0.90 115.11 120.58 1nku h GLN 93 Ca 0.19 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1nku h GLN 93 Cb -0.03 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.42 1nku h GLN 93 CO -0.04 0.62 0.20 0.00 -1.93 0.00 0.00 178.83 177.68 1nku h ALA 94 N 1.54 1.27 -0.46 3.38 0.00 -0.76 -2.39 119.26 121.84 1nku h ALA 94 Ca 0.33 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1nku h ALA 94 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1nku h ALA 94 CO -0.11 0.53 0.27 0.82 0.00 0.00 0.00 179.25 180.76 1nku h ILE 95 N 0.83 1.04 -0.82 0.00 1.08 -0.70 -1.11 117.51 117.83 1nku h ILE 95 Ca 0.19 -0.19 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 1nku h ILE 95 Cb 0.21 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.37 1nku h ILE 95 CO -0.01 0.10 0.54 0.40 -0.69 0.00 0.00 178.15 178.49 1nku h ILE 96 N 0.54 1.21 -0.74 -0.67 2.04 -1.24 -1.73 117.51 116.92 1nku h ILE 96 Ca 0.19 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1nku h ILE 96 Cb 0.02 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.07 1nku h ILE 96 CO -0.09 0.20 0.41 1.23 0.00 0.00 0.00 178.15 179.90 1nku h GLY 97 N 1.10 1.08 1.00 5.37 0.00 -0.90 -2.24 103.07 108.49 1nku h GLY 97 Ca 0.30 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1nku h GLY 97 CO -0.07 0.46 0.62 -0.57 0.00 0.00 0.00 176.54 176.98 1nku h ASN 98 N 1.02 1.07 -0.56 0.19 -0.73 -0.32 -1.32 115.58 114.94 1nku h ASN 98 Ca 0.26 -0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.36 1nku h ASN 98 Cb 0.01 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.31 1nku h ASN 98 CO -0.04 0.77 0.17 0.00 -0.37 0.00 0.00 177.43 177.96 1nku h ALA 99 N 1.34 0.73 -0.65 1.57 0.00 -1.09 0.66 119.26 121.82 1nku h ALA 99 Ca 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1nku h ALA 99 Cb -0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1nku h ALA 99 CO -0.08 0.39 0.25 0.00 0.00 0.00 0.00 179.25 179.81 1nku h ARG 100 N 0.77 0.98 -0.09 0.00 3.08 -1.14 0.10 114.38 118.08 1nku h ARG 100 Ca 0.18 -0.19 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1nku h ARG 100 Cb 0.28 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.18 1nku h ARG 100 CO -0.01 0.83 -0.67 0.00 -1.07 0.00 0.00 179.97 179.06 1nku h ALA 101 N 1.10 0.21 -0.45 0.04 0.00 -0.97 -2.24 119.26 116.95 1nku h ALA 101 Ca 0.22 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1nku h ALA 101 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1nku h ALA 101 CO -0.02 0.51 0.28 -0.92 0.00 0.00 0.00 179.25 179.11 1nku h TYR 102 N 0.26 0.54 -0.50 0.00 3.20 0.51 -2.04 116.97 118.93 1nku h TYR 102 Ca -0.06 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 1nku h TYR 102 Cb 1.31 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 1nku h TYR 102 CO 0.11 0.33 -0.03 1.25 -1.64 0.00 0.00 178.16 178.17 1nku h LEU 103 N 0.58 0.85 -0.78 2.82 7.12 -1.01 -2.78 115.31 122.10 1nku h LEU 103 Ca 0.17 -0.23 0.04 0.00 0.13 0.00 0.00 57.88 58.00 1nku h LEU 103 Cb -0.03 -0.23 -0.05 0.00 -0.53 0.00 0.00 40.66 39.82 1nku h LEU 103 CO -0.06 0.93 0.49 -0.61 -0.13 0.00 0.00 178.44 179.06 1nku h GLN 104 N 0.80 0.90 -0.79 1.25 4.15 -0.75 -1.65 115.11 119.01 1nku h GLN 104 Ca 0.15 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 1nku h GLN 104 Cb 0.52 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1nku h GLN 104 CO 0.03 0.59 0.32 1.98 -1.93 0.00 0.00 178.83 179.82 1nku h MET 105 N 0.92 1.18 -0.10 1.69 4.05 -1.12 -1.58 114.93 119.98 1nku h MET 105 Ca 0.33 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.56 1nku h MET 105 Cb 0.09 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1nku h MET 105 CO -0.14 0.96 0.08 1.49 0.23 0.00 0.00 176.91 179.53 1nku h GLU 106 N 1.15 0.00 -0.87 0.39 4.81 -1.12 -0.89 114.58 118.06 1nku h GLU 106 Ca 0.26 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.68 1nku h GLU 106 Cb 0.22 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1nku h GLU 106 CO -0.02 0.00 0.57 0.37 -0.73 0.00 0.00 179.01 179.20 1nku h GLN 107 N 0.00 0.44 -0.00 1.92 4.15 -0.86 1.24 115.11 121.99 1nku h GLN 107 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1nku h GLN 107 Cb 0.22 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1nku h GLN 107 CO -0.00 0.29 -0.02 0.09 -1.93 0.00 0.00 178.83 177.26 1nku n ASN 108 N -4.51 0.48 -0.92 -0.69 5.03 -0.34 -4.88 115.26 109.42 1nku n ASN 108 Ca 0.18 -1.02 -0.10 0.00 0.87 0.00 0.00 54.58 54.51 1nku n ASN 108 Cb 0.63 -0.03 -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 0.71 3.35 7.41 0.00 0.43 -4.98 105.19 113.22 1nku n GLY 109 Ca 0.21 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.47 2.77 0.24 1.61 2.56 -1.25 -5.05 118.70 116.12 1nku s GLU 110 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 54.97 53.54 1nku s GLU 110 Cb 0.00 -3.71 -0.14 0.00 2.00 0.00 0.00 34.13 32.28 1nku s GLU 110 CO 0.00 -0.72 1.16 -2.30 -0.56 0.00 0.00 175.26 172.84 1nku n PRO 111 N 4.97 1.48 -0.23 4.30 -0.02 -1.26 -4.48 135.00 139.75 1nku n PRO 111 Ca -0.12 0.52 -0.07 0.00 -2.02 0.00 0.00 63.50 61.82 1nku n PRO 111 Cb 0.46 -2.00 0.04 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.93 0.92 -0.54 6.00 3.57 -1.95 -1.87 116.94 125.99 1nku h PHE 112 Ca -0.42 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.06 1nku h PHE 112 Cb 1.32 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1nku h PHE 112 CO 0.52 0.68 0.36 0.00 -2.23 0.00 0.00 178.31 177.64 1nku h ALA 113 N 1.14 1.67 -0.33 2.41 0.00 -1.89 -0.37 119.26 121.89 1nku h ALA 113 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1nku h ALA 113 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1nku h ALA 113 CO -0.03 0.29 -0.07 0.22 0.00 0.00 0.00 179.25 179.66 1nku h ASP 114 N 0.68 0.52 0.18 0.00 3.58 -1.71 -1.65 116.42 118.03 1nku h ASP 114 Ca 0.21 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1nku h ASP 114 Cb -0.00 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1nku h ASP 114 CO -0.05 0.64 -0.09 0.15 -2.88 0.00 0.00 179.24 177.02 1nku h PHE 115 N 0.51 -0.22 -0.62 0.28 3.57 -0.69 0.93 116.94 120.71 1nku h PHE 115 Ca 0.10 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 1nku h PHE 115 Cb 0.44 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1nku h PHE 115 CO 0.02 -0.14 0.05 -0.39 -2.23 0.00 0.00 178.31 175.62 1nku h VAL 116 N -0.24 1.26 -0.59 1.41 -1.51 -1.37 -2.41 116.25 112.79 1nku h VAL 116 Ca -0.02 -1.09 -0.00 0.00 -1.23 0.00 0.00 66.70 64.35 1nku h VAL 116 Cb 0.19 0.76 -0.03 0.00 -2.13 0.00 0.00 31.29 30.07 1nku h VAL 116 CO 0.04 0.40 0.36 -0.50 -1.23 0.00 0.00 177.57 176.64 1nku h TRP 117 N 0.96 0.77 -0.27 5.19 4.06 -1.03 -1.74 115.95 123.89 1nku h TRP 117 Ca 0.18 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.09 1nku h TRP 117 Cb 0.50 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1nku h TRP 117 CO 0.04 0.51 -0.05 0.66 -3.56 0.00 0.00 178.44 176.03 1nku h SER 118 N 0.81 0.39 0.34 -3.49 4.64 -0.31 0.55 113.55 116.49 1nku h SER 118 Ca 0.21 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1nku h SER 118 Cb -0.04 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1nku h SER 118 CO -0.04 0.50 -0.17 -0.26 -0.87 0.00 0.00 176.83 175.98 1nku h PHE 119 N 0.40 0.00 -0.59 4.77 -1.00 -1.10 -1.62 116.94 117.80 1nku h PHE 119 Ca 0.08 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.73 1nku h PHE 119 Cb 0.35 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.83 1nku h PHE 119 CO 0.01 0.17 0.14 1.33 -1.61 0.00 0.00 178.31 178.35 1nku n VAL 120 N -3.86 2.76 -3.46 -0.55 0.24 -0.82 -4.90 118.33 107.75 1nku n VAL 120 Ca -0.02 -1.73 -0.25 0.00 -2.04 0.00 0.00 64.34 60.30 1nku n VAL 120 Cb 0.27 -0.32 0.05 0.00 -1.47 0.00 0.00 33.84 32.37 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nku n ASN 121 N -0.15 -5.80 -0.36 -1.34 3.02 -0.61 -1.29 115.26 108.73 1nku n ASN 121 Ca 0.34 -0.49 -0.02 0.00 -0.03 0.00 0.00 54.58 54.38 1nku n ASN 121 Cb 1.24 -4.63 -0.01 0.00 -0.61 0.00 0.00 39.78 35.77 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1nku n HIS 122 N -4.71 -0.23 -3.91 3.10 -0.00 0.19 -4.84 115.22 104.82 1nku n HIS 122 Ca -0.02 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.80 1nku n HIS 122 Cb 0.57 -1.13 -0.10 0.00 -0.12 0.00 0.00 29.99 29.21 1nku n HIS 122 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1nku s GLN 123 N -1.13 3.93 0.43 1.57 -0.21 -0.42 -5.06 119.66 118.78 1nku s GLN 123 Ca 0.00 -0.36 -0.24 0.00 0.02 0.00 0.00 55.36 54.79 1nku s GLN 123 Cb 0.00 -3.29 -0.08 0.00 1.00 0.00 0.00 33.01 30.64 1nku s GLN 123 CO 0.00 0.16 1.15 -1.25 -2.12 0.00 0.00 175.29 173.22 1nku s PRO 124 N 0.71 3.94 -0.05 2.91 0.04 -1.26 -4.89 135.00 136.39 1nku s PRO 124 Ca 0.04 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1nku s PRO 124 Cb -0.13 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1nku s PRO 124 CO 0.02 -0.39 -0.02 -0.65 0.04 0.00 0.00 177.00 175.99 1nku s GLN 125 N -2.52 2.83 0.07 4.56 -0.21 0.20 -5.03 119.66 119.57 1nku s GLN 125 Ca 0.60 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 55.50 1nku s GLN 125 Cb -0.28 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 1nku s GLN 125 CO 0.35 0.66 -0.12 -1.64 -2.12 0.00 0.00 175.29 172.42 1nku s MET 126 N -1.07 0.78 0.08 2.91 -1.94 -1.26 -0.80 119.30 117.99 1nku s MET 126 Ca 0.15 -0.98 0.04 0.00 -1.71 0.00 0.00 55.69 53.19 1nku s MET 126 Cb -0.11 -0.66 -0.03 0.00 2.01 0.00 0.00 34.83 36.04 1nku s MET 126 CO 0.04 0.13 -0.12 -0.08 -0.01 0.00 0.00 175.02 174.99 1nku s THR 127 N -1.61 0.98 -0.40 2.05 -1.32 -1.09 -4.89 115.64 109.35 1nku s THR 127 Ca -0.01 -1.39 0.05 0.00 -1.21 0.00 0.00 61.69 59.13 1nku s THR 127 Cb -0.08 -1.10 0.43 0.00 -1.51 0.00 0.00 72.50 70.24 1nku s THR 127 CO 0.01 -0.36 1.14 1.67 -2.21 0.00 0.00 174.62 174.87 1nku n GLN 128 N 1.06 3.48 -2.14 7.08 7.27 -1.26 -4.82 117.38 128.04 1nku n GLN 128 Ca -0.20 -4.41 -0.39 0.00 0.07 0.00 0.00 57.00 52.07 1nku n GLN 128 Cb 0.55 -2.26 -0.01 0.00 2.41 0.00 0.00 30.24 30.93 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nku s ALA 129 N -3.56 3.28 -0.07 1.69 0.00 -1.26 -4.82 121.76 117.01 1nku s ALA 129 Ca 0.49 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.62 1nku s ALA 129 Cb 0.40 -3.45 -0.25 0.00 0.00 0.00 0.00 23.12 19.82 1nku s ALA 129 CO -0.13 -0.69 0.54 1.15 0.00 0.00 0.00 175.76 176.64 1nku h THR 130 N 2.55 0.77 -3.20 0.00 2.02 -1.97 -3.11 112.91 109.97 1nku h THR 130 Ca -0.49 -2.54 -0.56 0.00 0.77 0.00 0.00 66.41 63.59 1nku h THR 130 Cb 1.24 2.50 -0.18 0.00 -1.74 0.00 0.00 68.15 69.97 1nku h THR 130 CO 0.63 0.72 -0.79 -0.89 0.37 0.00 0.00 175.52 175.56 1nku s THR 131 N -2.58 2.00 0.43 3.16 2.01 -1.26 -4.79 115.64 114.61 1nku s THR 131 Ca -0.13 -1.98 0.11 0.00 0.31 0.00 0.00 61.69 60.00 1nku s THR 131 Cb 0.07 -1.95 0.29 0.00 0.01 0.00 0.00 72.50 70.93 1nku s THR 131 CO 0.80 -0.27 2.04 -0.07 -0.69 0.00 0.00 174.62 176.43 1nku h LEU 132 N 3.17 0.37 -1.39 4.42 4.07 -1.96 -0.97 115.31 123.02 1nku h LEU 132 Ca -0.43 -0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.57 1nku h LEU 132 Cb 1.21 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.83 1nku h LEU 132 CO 0.51 0.25 0.45 0.28 -1.08 0.00 0.00 178.44 178.85 1nku h SER 133 N 0.42 0.67 0.23 -0.43 0.02 -2.00 -0.59 113.55 111.87 1nku h SER 133 Ca 0.18 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1nku h SER 133 Cb 0.18 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1nku h SER 133 CO -0.04 0.45 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.57 1nku h GLU 134 N 0.77 0.00 -6.25 3.45 5.08 -1.58 -3.41 114.58 112.64 1nku h GLU 134 Ca 0.28 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.09 1nku h GLU 134 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1nku h GLU 134 CO -0.08 0.20 1.07 0.42 -1.00 0.00 0.00 179.01 179.61 1nku s ILE 135 N -4.53 3.67 0.29 3.13 1.01 -0.23 -4.97 121.20 119.57 1nku s ILE 135 Ca -0.04 0.81 -0.28 0.00 0.00 0.00 0.00 60.65 61.14 1nku s ILE 135 Cb 0.15 -3.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 1nku s ILE 135 CO 0.69 -0.07 1.00 -2.16 0.00 0.00 0.00 174.94 174.40 1nku s PRO 136 N 3.98 4.66 0.00 2.79 0.04 -1.26 -4.95 135.00 140.26 1nku s PRO 136 Ca 0.71 1.56 0.20 0.00 0.04 0.00 0.00 61.00 63.52 1nku s PRO 136 Cb -0.32 -3.08 0.33 0.00 0.04 0.00 0.00 34.50 31.47 1nku s PRO 136 CO 0.28 0.30 1.28 -2.37 0.04 0.00 0.00 177.00 176.53 1nku n THR 137 N 1.05 0.42 -3.41 1.26 5.66 -1.26 -4.66 114.28 113.33 1nku n THR 137 Ca -0.00 -0.71 -0.27 0.00 -3.05 0.00 0.00 64.05 60.02 1nku n THR 137 Cb 0.47 1.04 -0.10 0.00 -1.55 0.00 0.00 70.33 70.19 1nku n THR 137 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1nku n SER 138 N 1.24 0.02 -4.82 1.09 3.41 -1.26 -4.72 113.62 108.57 1nku n SER 138 Ca 0.16 -2.52 -0.33 0.00 -0.26 0.00 0.00 58.87 55.92 1nku n SER 138 Cb 0.54 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 1nku n SER 138 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nku s THR 139 N -0.31 4.41 0.51 6.66 -4.23 -1.26 -4.93 115.64 116.49 1nku s THR 139 Ca 0.33 1.44 0.23 0.00 -1.18 0.00 0.00 61.69 62.51 1nku s THR 139 Cb 0.05 -3.62 0.39 0.00 1.34 0.00 0.00 72.50 70.66 1nku s THR 139 CO -0.18 -0.38 1.98 1.55 -0.54 0.00 0.00 174.62 177.05 1nku h PRO 140 N 1.74 0.07 -0.05 3.99 0.13 -2.00 -0.69 132.00 135.20 1nku h PRO 140 Ca -0.49 -0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 1nku h PRO 140 Cb 1.18 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1nku h PRO 140 CO 0.61 0.05 -0.91 0.00 -0.23 0.00 0.00 178.00 177.52 1nku h ALA 141 N 1.72 0.30 -0.73 -0.56 0.00 -1.92 -3.03 119.26 115.04 1nku h ALA 141 Ca 0.27 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1nku h ALA 141 Cb 0.97 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1nku h ALA 141 CO -0.02 0.73 0.32 0.66 0.00 0.00 0.00 179.25 180.95 1nku h SER 142 N 0.37 0.96 -0.31 0.00 4.64 -1.51 0.52 113.55 118.22 1nku h SER 142 Ca -0.08 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1nku h SER 142 Cb 1.54 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1nku h SER 142 CO 0.17 0.83 0.11 -0.78 -0.87 0.00 0.00 176.83 176.29 1nku h ASP 143 N 1.04 0.45 -0.26 4.97 3.58 -1.45 -2.34 116.42 122.40 1nku h ASP 143 Ca 0.25 -0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1nku h ASP 143 Cb 0.15 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1nku h ASP 143 CO -0.03 0.52 -0.11 0.00 -2.88 0.00 0.00 179.24 176.74 1nku h ALA 144 N 0.94 1.09 -0.40 -0.78 0.00 -1.35 -2.82 119.26 115.95 1nku h ALA 144 Ca 0.10 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1nku h ALA 144 Cb 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1nku h ALA 144 CO -0.00 0.56 0.12 1.25 0.00 0.00 0.00 179.25 181.18 1nku h LEU 145 N 0.61 0.11 -0.85 0.00 5.85 -0.52 0.05 115.31 120.56 1nku h LEU 145 Ca 0.11 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1nku h LEU 145 Cb 0.55 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1nku h LEU 145 CO 0.03 0.10 0.56 0.28 -0.34 0.00 0.00 178.44 179.07 1nku h SER 146 N 0.27 0.95 -0.48 1.25 0.02 -1.19 -0.52 113.55 113.85 1nku h SER 146 Ca 0.19 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1nku h SER 146 Cb 0.19 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1nku h SER 146 CO -0.21 0.68 0.14 0.11 -1.14 0.00 0.00 176.83 176.42 1nku h LYS 147 N 1.12 0.82 0.10 3.45 1.57 -1.09 0.15 116.57 122.68 1nku h LYS 147 Ca 0.32 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1nku h LYS 147 Cb -0.09 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1nku h LYS 147 CO -0.08 0.73 -0.05 0.00 -0.57 0.00 0.00 179.45 179.48 1nku h ALA 148 N 1.36 -0.13 -0.32 3.86 0.00 0.05 -2.43 119.26 121.65 1nku h ALA 148 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nku h ALA 148 Cb 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1nku h ALA 148 CO -0.00 -0.39 0.09 -0.07 0.00 0.00 0.00 179.25 178.87 1nku h LEU 149 N -0.49 0.41 -0.78 0.00 3.38 -0.98 -2.12 115.31 114.73 1nku h LEU 149 Ca -0.01 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1nku h LEU 149 Cb 0.41 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1nku h LEU 149 CO 0.02 0.41 0.50 0.50 0.09 0.00 0.00 178.44 179.96 1nku h LYS 150 N 0.45 0.94 -0.79 1.13 1.63 -0.48 -1.79 116.57 117.66 1nku h LYS 150 Ca 0.11 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1nku h LYS 150 Cb 0.16 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1nku h LYS 150 CO -0.01 0.62 0.36 -0.22 -3.45 0.00 0.00 179.45 176.76 1nku h LYS 151 N 0.97 1.14 0.00 1.90 3.64 -0.89 -1.22 116.57 122.11 1nku h LYS 151 Ca 0.31 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1nku h LYS 151 Cb 0.00 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1nku h LYS 151 CO -0.11 0.89 -0.00 0.00 -2.27 0.00 0.00 179.45 177.96 1nku h ARG 152 N 1.12 0.00 0.00 1.90 2.47 -1.25 -3.45 114.38 115.18 1nku h ARG 152 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1nku h ARG 152 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1nku h ARG 152 CO -0.03 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.91 1nku n GLY 153 N -0.69 1.18 3.73 0.04 0.00 -0.46 -4.88 105.19 104.11 1nku n GLY 153 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.74 0.34 1.61 0.40 -0.75 -4.94 117.98 116.38 1nku s PHE 154 Ca 0.00 1.68 0.07 0.00 -0.60 0.00 0.00 56.93 58.08 1nku s PHE 154 Cb 0.00 -3.02 -0.02 0.00 0.51 0.00 0.00 43.02 40.50 1nku s PHE 154 CO 0.00 0.15 0.39 0.15 0.70 0.00 0.00 175.22 176.61 1nku s LYS 155 N 0.33 2.89 -1.15 0.44 -0.14 -1.26 -4.41 119.74 116.45 1nku s LYS 155 Ca 0.46 -1.18 -0.02 0.00 -1.36 0.00 0.00 55.97 53.87 1nku s LYS 155 Cb -0.22 -2.64 -0.02 0.00 -1.68 0.00 0.00 37.83 33.27 1nku s LYS 155 CO 0.27 0.05 0.97 1.19 -0.76 0.00 0.00 175.35 177.07 1nku n PHE 156 N -1.52 -2.29 -1.26 3.18 3.72 -1.26 -4.92 117.46 113.11 1nku n PHE 156 Ca -0.00 0.91 0.05 0.00 -0.05 0.00 0.00 57.45 58.36 1nku n PHE 156 Cb 0.59 -4.75 0.20 0.00 -0.94 0.00 0.00 39.48 34.58 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1nku n VAL 157 N -3.82 2.23 -1.19 -4.37 0.24 -1.26 -4.70 118.33 105.47 1nku n VAL 157 Ca -0.21 -2.50 -0.37 0.00 -2.04 0.00 0.00 64.34 59.22 1nku n VAL 157 Cb 0.65 -0.27 0.04 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.07 -2.97 0.33 7.63 0.00 -1.26 -4.47 105.19 103.38 1nku n GLY 158 Ca 0.23 -0.41 0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.40 0.72 -0.19 2.61 2.02 -1.95 -1.46 112.91 114.26 1nku h THR 159 Ca -0.43 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1nku h THR 159 Cb 1.38 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1nku h THR 159 CO 0.37 0.00 0.06 0.74 0.37 0.00 0.00 175.52 177.06 1nku h THR 160 N 0.00 1.19 -0.40 3.16 2.02 -1.85 0.60 112.91 117.63 1nku h THR 160 Ca 0.12 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 1nku h THR 160 Cb 0.53 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1nku h THR 160 CO -0.00 0.19 -0.12 0.40 0.37 0.00 0.00 175.52 176.35 1nku h ILE 161 N 0.13 1.25 -0.26 3.11 2.04 -1.60 -1.92 117.51 120.26 1nku h ILE 161 Ca 0.06 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1nku h ILE 161 Cb 0.24 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1nku h ILE 161 CO -0.00 0.39 0.07 0.00 0.00 0.00 0.00 178.15 178.61 1nku h TYR 163 N 0.26 0.60 -0.89 0.00 3.20 -0.69 -1.42 116.97 118.03 1nku h TYR 163 Ca 0.08 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1nku h TYR 163 Cb 0.27 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1nku h TYR 163 CO 0.01 0.42 0.59 0.77 -1.64 0.00 0.00 178.16 178.31 1nku h SER 164 N 0.60 0.99 -0.81 -2.11 0.02 -1.17 -1.38 113.55 109.69 1nku h SER 164 Ca 0.16 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1nku h SER 164 Cb 0.00 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1nku h SER 164 CO -0.03 0.70 0.48 0.15 -1.14 0.00 0.00 176.83 176.99 1nku h PHE 165 N 1.16 1.07 -0.75 3.45 3.57 -0.29 -1.79 116.94 123.36 1nku h PHE 165 Ca 0.34 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1nku h PHE 165 Cb -0.06 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.29 1nku h PHE 165 CO -0.00 0.72 0.50 0.52 -2.23 0.00 0.00 178.31 177.82 1nku h MET 166 N 1.11 0.94 -0.71 1.11 2.86 -0.24 0.24 114.93 120.23 1nku h MET 166 Ca 0.29 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1nku h MET 166 Cb -0.03 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.39 1nku h MET 166 CO -0.05 0.62 0.46 1.96 1.06 0.00 0.00 176.91 180.96 1nku h GLN 167 N 0.97 0.95 -0.06 1.72 4.20 -0.95 0.32 115.11 122.25 1nku h GLN 167 Ca 0.29 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.74 1nku h GLN 167 Cb -0.03 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.55 1nku h GLN 167 CO -0.07 0.64 -0.72 0.00 -0.67 0.00 0.00 178.83 178.00 1nku h ALA 168 N 1.25 0.17 -0.50 3.87 0.00 -1.09 0.80 119.26 123.77 1nku h ALA 168 Ca 0.26 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1nku h ALA 168 Cb -0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nku h ALA 168 CO -0.05 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.75 1nku n GLY 170 N -0.70 0.83 0.31 0.00 0.00 0.11 -0.91 105.19 104.82 1nku n GLY 170 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.32 -8.28 0.99 3.38 -1.85 -3.41 115.31 106.46 1nku h LEU 171 Ca 0.00 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1nku h LEU 171 Cb 0.00 -0.07 -0.29 0.00 0.09 0.00 0.00 40.66 40.39 1nku h LEU 171 CO 0.00 0.22 -0.82 0.54 0.09 0.00 0.00 178.44 178.47 1nku s VAL 172 N -5.35 1.23 -0.45 1.22 0.11 -1.26 -0.63 120.40 115.28 1nku s VAL 172 Ca -0.07 -0.72 -0.10 0.00 -2.93 0.00 0.00 61.98 58.16 1nku s VAL 172 Cb 0.18 -1.04 0.10 0.00 -1.53 0.00 0.00 36.38 34.09 1nku s VAL 172 CO 0.72 0.31 0.32 0.21 -3.33 0.00 0.00 175.10 173.33 1nku s ASN 173 N -0.47 5.72 -0.50 3.54 3.04 0.02 -4.71 114.94 121.58 1nku s ASN 173 Ca 0.06 -1.68 0.04 0.00 0.04 0.00 0.00 52.86 51.31 1nku s ASN 173 Cb -0.06 -2.02 0.13 0.00 -1.54 0.00 0.00 41.25 37.75 1nku s ASN 173 CO -0.00 -0.63 0.24 1.51 -3.04 0.00 0.00 177.10 175.18 1nku s ASP 174 N 2.45 4.33 -0.07 -4.21 -4.77 -1.26 -2.69 116.67 110.46 1nku s ASP 174 Ca 0.04 -2.91 0.17 0.00 -3.30 0.00 0.00 52.55 46.56 1nku s ASP 174 Cb -0.25 -1.61 0.34 0.00 -1.09 0.00 0.00 42.92 40.32 1nku s ASP 174 CO 0.01 -0.25 1.15 1.41 0.70 0.00 0.00 175.17 178.20 1nku n HIS 175 N 3.25 0.00 -1.40 2.11 8.25 -1.26 -5.03 115.22 121.15 1nku n HIS 175 Ca 0.05 -0.73 0.16 0.00 -0.26 0.00 0.00 57.72 56.94 1nku n HIS 175 Cb 0.33 -0.16 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 1nku n HIS 175 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1nku n VAL 176 N -0.20 -0.82 -2.88 1.59 3.14 -1.26 -3.84 118.33 114.06 1nku n VAL 176 Ca 0.09 0.86 -0.43 0.00 -2.96 0.00 0.00 64.34 61.90 1nku n VAL 176 Cb 0.90 -1.31 -0.03 0.00 -1.06 0.00 0.00 33.84 32.34 1nku n VAL 176 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1nku s VAL 177 N -4.32 4.56 0.00 1.55 0.11 -1.17 -3.84 120.40 117.29 1nku s VAL 177 Ca 0.00 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 1nku s VAL 177 Cb 0.00 -4.77 0.00 0.00 -1.53 0.00 0.00 36.38 30.08 1nku s VAL 177 CO 0.00 -1.52 0.00 0.61 -3.33 0.00 0.00 175.10 170.86 1nku n GLY 178 N 5.56 0.01 1.03 6.54 0.00 -0.49 -4.95 105.19 112.89 1nku n GLY 178 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.33 3.08 0.19 0.00 6.14 -1.26 -4.92 117.35 116.25 1nku s TYR 182 Ca -0.04 -3.14 0.22 0.00 0.64 0.00 0.00 57.07 54.76 1nku s TYR 182 Cb 0.11 -2.37 0.89 0.00 0.42 0.00 0.00 41.96 41.02 1nku s TYR 182 CO 0.39 -0.61 1.82 -1.35 0.64 0.00 0.00 175.55 176.45 1nku h PRO 183 N 5.50 0.00 0.00 4.97 0.11 -1.89 -1.29 132.00 139.40 1nku h PRO 183 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 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 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 1nku n GLY 184 N 0.04 0.74 3.62 -0.55 0.00 -1.26 -3.99 105.19 103.79 1nku n GLY 184 Ca -0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1nku n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nku n ASN 185 N 0.03 -5.28 -4.86 1.61 5.15 -1.26 -4.97 115.26 105.69 1nku n ASN 185 Ca 0.00 -0.59 -0.32 0.00 -0.60 0.00 0.00 54.58 53.06 1nku n ASN 185 Cb 0.00 -4.87 -0.06 0.00 -0.53 0.00 0.00 39.78 34.32 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1nku s LYS 186 N -6.19 3.92 0.00 1.20 1.02 -1.26 -5.32 119.74 113.12 1nku s LYS 186 Ca 0.48 0.51 0.17 0.00 0.02 0.00 0.00 55.97 57.14 1nku s LYS 186 Cb -0.22 -2.52 1.01 0.00 -0.52 0.00 0.00 37.83 35.58 1nku s LYS 186 CO 0.75 0.22 1.41 -0.35 -0.92 0.00 0.00 175.35 176.46