#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nku s GLU 2 N 0.00 3.84 0.34 2.12 -1.05 -1.26 -5.09 118.70 117.60 1nku s GLU 2 Ca 0.00 0.55 0.09 0.00 -0.15 0.00 0.00 54.97 55.46 1nku s GLU 2 Cb 0.00 -2.38 -0.06 0.00 -0.44 0.00 0.00 34.13 31.25 1nku s GLU 2 CO 0.00 -0.02 -0.04 1.03 0.95 0.00 0.00 175.26 177.18 1nku s ARG 3 N -3.70 1.95 0.61 -4.83 0.52 -1.26 -4.38 118.95 107.86 1nku s ARG 3 Ca 0.52 -1.84 -0.19 0.00 -0.52 0.00 0.00 55.73 53.70 1nku s ARG 3 Cb -0.10 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 1nku s ARG 3 CO 0.29 0.14 1.27 0.00 0.02 0.00 0.00 175.30 177.02 1nku h GLY 5 N 0.83 0.00 0.29 0.00 0.00 -1.96 -2.60 103.07 99.63 1nku h GLY 5 Ca -0.51 0.00 0.14 0.00 0.00 0.00 0.00 47.33 46.97 1nku h GLY 5 CO 0.55 0.00 0.52 1.49 0.00 0.00 0.00 176.54 179.10 1nku h TRP 6 N 0.00 0.93 -3.65 5.60 4.06 -1.94 -3.40 115.95 117.56 1nku h TRP 6 Ca -0.00 0.03 -0.52 0.00 2.06 0.00 0.00 58.89 60.47 1nku h TRP 6 Cb 0.06 -0.28 0.03 0.00 -1.00 0.00 0.00 29.16 27.98 1nku h TRP 6 CO 0.00 0.27 0.57 0.14 -3.56 0.00 0.00 178.44 175.87 1nku s VAL 7 N -5.95 3.27 0.00 1.49 -7.23 -0.98 -4.69 120.40 106.31 1nku s VAL 7 Ca -0.12 1.16 0.00 0.00 -1.81 0.00 0.00 61.98 61.21 1nku s VAL 7 Cb 0.22 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.42 1nku s VAL 7 CO 0.79 0.23 0.00 -0.24 -0.31 0.00 0.00 175.10 175.57 1nku n SER 8 N 1.76 0.00 0.00 4.85 2.88 -1.26 -4.99 113.62 116.85 1nku n SER 8 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1nku n SER 8 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1nku n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nku n GLN 9 N 0.00 1.34 -1.34 -1.46 6.02 -1.26 -5.10 117.38 115.59 1nku n GLN 9 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1nku n GLN 9 Cb 0.00 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.35 1nku n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nku s ASP 10 N 0.94 4.31 0.56 1.08 1.01 -1.26 -4.89 116.67 118.43 1nku s ASP 10 Ca 0.00 2.06 0.37 0.00 0.71 0.00 0.00 52.55 55.69 1nku s ASP 10 Cb 0.00 -2.55 1.96 0.00 1.01 0.00 0.00 42.92 43.33 1nku s ASP 10 CO 0.00 -2.17 2.14 1.55 0.21 0.00 0.00 175.17 176.90 1nku h PRO 11 N -0.75 0.00 -0.57 8.23 0.13 -2.01 -2.50 132.00 134.53 1nku h PRO 11 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1nku h PRO 11 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1nku h PRO 11 CO 0.50 0.00 0.20 1.25 -0.23 0.00 0.00 178.00 179.72 1nku h LEU 12 N 0.00 0.77 0.11 1.56 5.85 -1.97 0.14 115.31 121.77 1nku h LEU 12 Ca 0.00 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1nku h LEU 12 Cb 0.09 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1nku h LEU 12 CO 0.00 0.71 -0.27 1.88 -0.34 0.00 0.00 178.44 180.42 1nku h TYR 13 N 0.82 -0.72 -0.33 1.25 -1.99 -1.81 1.13 116.97 115.33 1nku h TYR 13 Ca 0.19 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.86 1nku h TYR 13 Cb 0.20 0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1nku h TYR 13 CO 0.01 -0.37 -0.10 0.82 -0.00 0.00 0.00 178.16 178.52 1nku h ILE 14 N -0.47 1.28 -0.44 -2.88 2.04 -1.65 0.61 117.51 116.00 1nku h ILE 14 Ca 0.03 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1nku h ILE 14 Cb 0.50 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1nku h ILE 14 CO -0.16 0.38 0.29 0.00 0.00 0.00 0.00 178.15 178.66 1nku h ALA 15 N 0.80 0.55 -0.16 1.87 0.00 -0.38 -1.01 119.26 120.92 1nku h ALA 15 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1nku h ALA 15 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1nku h ALA 15 CO 0.04 0.01 -0.28 -0.92 0.00 0.00 0.00 179.25 178.10 1nku h TYR 16 N 0.59 0.34 0.17 0.00 3.20 0.15 -2.32 116.97 119.10 1nku h TYR 16 Ca 0.16 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1nku h TYR 16 Cb -0.06 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1nku h TYR 16 CO -0.04 0.57 -0.27 1.25 -1.64 0.00 0.00 178.16 178.03 1nku h HIS 17 N 0.27 -0.71 -0.51 -3.82 2.76 0.15 0.29 115.15 113.58 1nku h HIS 17 Ca 0.04 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.10 1nku h HIS 17 Cb 0.64 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.88 1nku h HIS 17 CO 0.01 -0.38 -0.17 -0.44 -1.30 0.00 0.00 177.93 175.66 1nku h ASP 18 N -0.51 1.04 -0.44 3.26 3.32 -1.35 -3.05 116.42 118.70 1nku h ASP 18 Ca 0.02 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.70 1nku h ASP 18 Cb 0.51 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1nku h ASP 18 CO -0.12 1.18 0.29 0.78 -1.72 0.00 0.00 179.24 179.65 1nku h ASN 19 N 0.89 0.50 0.00 6.45 2.35 -1.05 -3.45 115.58 121.27 1nku h ASN 19 Ca 0.12 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1nku h ASN 19 Cb 0.75 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1nku h ASN 19 CO 0.06 0.36 0.00 -1.84 -1.65 0.00 0.00 177.43 174.36 1nku n GLU 20 N -4.79 0.00 -2.96 0.81 0.28 0.98 -5.09 120.64 109.88 1nku n GLU 20 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.04 1nku n GLU 20 Cb 0.02 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.89 1nku n GLU 20 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1nku s TRP 21 N 0.00 -0.78 0.00 -1.84 -0.00 -1.24 -4.48 118.94 110.60 1nku s TRP 21 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 56.10 56.30 1nku s TRP 21 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 33.47 33.61 1nku s TRP 21 CO 0.00 -0.51 0.00 0.41 -0.00 0.00 0.00 176.95 176.85 1nku n GLY 22 N 4.20 0.39 3.81 5.86 0.00 -1.12 -5.00 105.19 113.33 1nku n GLY 22 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 4.20 0.05 1.61 -7.23 -1.26 -4.13 120.40 111.64 1nku s VAL 23 Ca 0.00 1.37 -0.30 0.00 -1.81 0.00 0.00 61.98 61.23 1nku s VAL 23 Cb 0.00 -3.55 -0.08 0.00 0.56 0.00 0.00 36.38 33.31 1nku s VAL 23 CO 0.00 -0.30 1.69 -2.16 -0.31 0.00 0.00 175.10 174.03 1nku s PRO 24 N -3.20 4.19 -0.03 4.82 0.04 -1.23 -3.34 135.00 136.24 1nku s PRO 24 Ca 0.64 2.35 0.06 0.00 0.04 0.00 0.00 61.00 64.09 1nku s PRO 24 Cb -0.11 -3.71 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 1nku s PRO 24 CO 0.15 -0.78 -0.21 -1.21 0.04 0.00 0.00 177.00 174.99 1nku s GLU 25 N 3.02 1.93 0.00 4.56 2.02 0.87 -4.96 118.70 126.14 1nku s GLU 25 Ca 0.76 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.98 1nku s GLU 25 Cb -0.39 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1nku s GLU 25 CO 0.33 0.40 0.91 0.25 0.02 0.00 0.00 175.26 177.17 1nku n THR 26 N 2.75 0.82 -2.22 3.63 -2.24 -1.26 -4.93 114.28 110.83 1nku n THR 26 Ca -0.16 -0.84 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 1nku n THR 26 Cb 0.52 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1nku n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nku s ASP 27 N -0.82 6.55 0.26 3.42 1.01 -1.26 -4.88 116.67 120.95 1nku s ASP 27 Ca 0.00 1.57 -0.03 0.00 0.71 0.00 0.00 52.55 54.80 1nku s ASP 27 Cb 0.00 -2.53 0.41 0.00 1.01 0.00 0.00 42.92 41.81 1nku s ASP 27 CO 0.00 -1.12 1.87 0.28 0.21 0.00 0.00 175.17 176.41 1nku h SER 28 N 9.94 0.98 -0.23 0.27 0.02 -1.99 -2.12 113.55 120.41 1nku h SER 28 Ca -0.31 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1nku h SER 28 Cb 1.13 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 1nku h SER 28 CO 1.00 0.61 0.08 0.11 -1.14 0.00 0.00 176.83 177.49 1nku h LYS 29 N 1.11 0.36 -0.51 3.45 1.57 -2.01 -2.99 116.57 117.55 1nku h LYS 29 Ca 0.43 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 59.05 1nku h LYS 29 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1nku h LYS 29 CO -0.19 0.43 -0.01 0.87 -0.57 0.00 0.00 179.45 179.99 1nku h LYS 30 N 0.21 0.91 -0.13 3.15 1.57 -1.88 -2.20 116.57 118.20 1nku h LYS 30 Ca 0.08 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1nku h LYS 30 Cb 0.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1nku h LYS 30 CO -0.00 0.94 0.07 -0.07 -0.57 0.00 0.00 179.45 179.82 1nku h LEU 31 N 0.78 0.16 0.11 2.94 3.38 -1.38 -1.70 115.31 119.61 1nku h LEU 31 Ca 0.14 -0.09 -0.30 0.00 0.09 0.00 0.00 57.88 57.73 1nku h LEU 31 Cb 0.53 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1nku h LEU 31 CO 0.03 0.21 -1.23 -0.26 0.09 0.00 0.00 178.44 177.28 1nku h PHE 32 N 0.11 1.02 -0.11 1.13 0.04 -1.58 -2.87 116.94 114.67 1nku h PHE 32 Ca 0.05 -0.64 -0.02 0.00 2.80 0.00 0.00 57.97 60.16 1nku h PHE 32 Cb 0.08 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1nku h PHE 32 CO -0.04 1.47 -0.04 0.93 -0.60 0.00 0.00 178.31 180.03 1nku h GLU 33 N 0.28 0.16 0.12 1.51 5.08 -1.42 -2.15 114.58 118.17 1nku h GLU 33 Ca -0.18 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1nku h GLU 33 Cb 1.90 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1nku h GLU 33 CO 0.24 0.22 -0.06 1.98 -1.00 0.00 0.00 179.01 180.39 1nku h MET 34 N 0.16 -0.16 -0.36 2.33 4.05 -1.30 -2.76 114.93 116.89 1nku h MET 34 Ca 0.04 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1nku h MET 34 Cb 0.19 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 1nku h MET 34 CO 0.01 0.31 0.22 0.97 0.23 0.00 0.00 176.91 178.65 1nku h ILE 35 N -0.87 1.11 -0.34 1.77 2.10 -1.43 0.30 117.51 120.15 1nku h ILE 35 Ca -0.02 -0.23 -0.05 0.00 1.08 0.00 0.00 64.86 65.64 1nku h ILE 35 Cb 0.54 0.59 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 1nku h ILE 35 CO 0.03 0.11 0.03 0.00 -1.08 0.00 0.00 178.15 177.24 1nku h LEU 37 N 0.40 0.20 -2.00 0.00 3.38 -1.06 -2.99 115.31 113.24 1nku h LEU 37 Ca 0.10 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.11 1nku h LEU 37 Cb 0.40 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1nku h LEU 37 CO 0.01 0.77 0.41 -0.33 0.09 0.00 0.00 178.44 179.39 1nku h GLU 38 N 0.13 0.00 -0.89 1.13 5.08 -0.22 -0.29 114.58 119.52 1nku h GLU 38 Ca -0.01 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.57 1nku h GLU 38 Cb 1.12 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.24 1nku h GLU 38 CO 0.09 0.00 0.38 0.78 -1.00 0.00 0.00 179.01 179.27 1nku h GLY 39 N 0.00 1.51 1.77 -3.84 0.00 -1.50 1.11 103.07 102.13 1nku h GLY 39 Ca 0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1nku h GLY 39 CO -0.00 -0.26 -0.11 1.46 0.00 0.00 0.00 176.54 177.62 1nku h GLN 40 N 0.40 0.28 -0.17 4.80 4.20 -1.26 -2.08 115.11 121.27 1nku h GLN 40 Ca 0.55 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 59.25 1nku h GLN 40 Cb 1.04 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1nku h GLN 40 CO -0.53 0.41 0.18 -0.56 -0.67 0.00 0.00 178.83 177.66 1nku h GLN 41 N 0.27 0.00 -5.96 1.46 3.07 0.12 -3.39 115.11 110.68 1nku h GLN 41 Ca 0.05 0.00 -0.74 0.00 0.09 0.00 0.00 58.65 58.05 1nku h GLN 41 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.90 1nku h GLN 41 CO 0.02 0.00 1.35 0.00 0.09 0.00 0.00 178.83 180.30 1nku n ALA 42 N -2.36 0.38 0.00 0.06 0.00 -0.79 0.35 120.51 118.15 1nku n ALA 42 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1nku n ALA 42 Cb 0.30 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1nku n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 43 N 7.29 2.72 3.79 0.00 0.00 -1.26 -5.00 105.19 112.73 1nku n GLY 43 Ca 0.53 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1nku n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nku s LEU 44 N 0.00 3.85 0.74 0.99 1.43 1.07 -5.11 118.68 121.65 1nku s LEU 44 Ca 0.00 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 1nku s LEU 44 Cb 0.00 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.75 1nku s LEU 44 CO 0.00 0.18 1.10 -0.44 0.23 0.00 0.00 176.35 177.42 1nku s SER 45 N -2.34 5.13 0.62 2.29 0.01 -1.26 -4.51 113.70 113.63 1nku s SER 45 Ca 0.29 1.15 0.37 0.00 1.31 0.00 0.00 55.95 59.07 1nku s SER 45 Cb -0.12 -1.91 2.04 0.00 0.21 0.00 0.00 66.02 66.25 1nku s SER 45 CO 0.22 -1.55 2.28 4.11 0.41 0.00 0.00 173.24 178.71 1nku h TRP 46 N -0.80 0.00 -1.00 2.43 0.09 -1.99 -1.60 115.95 113.07 1nku h TRP 46 Ca -0.46 0.00 0.23 0.00 0.09 0.00 0.00 58.89 58.75 1nku h TRP 46 Cb 1.26 0.00 -0.11 0.00 0.08 0.00 0.00 29.16 30.40 1nku h TRP 46 CO 0.48 0.01 0.62 0.97 0.09 0.00 0.00 178.44 180.61 1nku h ILE 47 N 0.00 0.61 -0.10 0.12 -0.00 -2.00 0.43 117.51 116.57 1nku h ILE 47 Ca -0.00 -0.20 -0.23 0.00 -0.00 0.00 0.00 64.86 64.42 1nku h ILE 47 Cb 0.07 -0.04 0.01 0.00 -0.00 0.00 0.00 36.82 36.86 1nku h ILE 47 CO 0.00 0.11 -0.85 0.74 -0.00 0.00 0.00 178.15 178.15 1nku h THR 48 N 0.60 1.29 -0.20 2.19 2.02 -1.65 -3.28 112.91 113.88 1nku h THR 48 Ca 0.59 -2.07 -0.14 0.00 0.77 0.00 0.00 66.41 65.57 1nku h THR 48 Cb 1.16 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1nku h THR 48 CO -0.37 0.65 -0.40 0.58 0.37 0.00 0.00 175.52 176.34 1nku h VAL 49 N 0.48 1.33 0.15 3.16 2.07 -0.55 -2.67 116.25 120.22 1nku h VAL 49 Ca -0.07 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 65.83 1nku h VAL 49 Cb 1.49 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 1nku h VAL 49 CO 0.17 0.51 -0.23 -0.07 0.02 0.00 0.00 177.57 177.97 1nku h LEU 50 N 0.31 -0.62 -0.58 2.57 3.38 -0.45 1.16 115.31 121.07 1nku h LEU 50 Ca 0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1nku h LEU 50 Cb 1.01 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 1nku h LEU 50 CO 0.09 -0.32 0.34 0.07 0.09 0.00 0.00 178.44 178.71 1nku h LYS 51 N -0.44 0.80 0.00 1.13 2.10 -1.66 -0.13 116.57 118.36 1nku h LYS 51 Ca 0.02 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.55 1nku h LYS 51 Cb 0.45 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1nku h LYS 51 CO -0.10 0.59 -0.16 0.87 -2.00 0.00 0.00 179.45 178.65 1nku h LYS 52 N 0.79 0.00 -0.75 0.07 6.56 -1.07 -2.16 116.57 120.01 1nku h LYS 52 Ca 0.21 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.88 1nku h LYS 52 Cb 0.01 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.60 1nku h LYS 52 CO -0.04 0.16 0.41 -0.09 -2.06 0.00 0.00 179.45 177.84 1nku h ARG 53 N 0.00 0.68 -0.36 3.15 2.43 0.33 1.30 114.38 121.91 1nku h ARG 53 Ca -0.00 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1nku h ARG 53 Cb 0.33 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1nku h ARG 53 CO 0.02 0.45 -0.01 0.93 -1.51 0.00 0.00 179.97 179.85 1nku h GLU 54 N 0.70 0.64 -0.56 0.20 5.08 -1.29 -1.11 114.58 118.25 1nku h GLU 54 Ca 0.36 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1nku h GLU 54 Cb 0.32 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1nku h GLU 54 CO -0.24 0.76 0.08 -0.97 -1.00 0.00 0.00 179.01 177.64 1nku h ASN 55 N 0.45 0.90 -0.85 1.42 -0.73 -1.06 -2.78 115.58 112.93 1nku h ASN 55 Ca 0.10 -0.27 -0.01 0.00 1.87 0.00 0.00 56.30 58.00 1nku h ASN 55 Cb 0.48 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.79 1nku h ASN 55 CO 0.02 0.94 0.51 0.22 -0.37 0.00 0.00 177.43 178.75 1nku h TYR 56 N 0.83 1.13 -0.85 0.67 3.20 0.18 -1.84 116.97 120.28 1nku h TYR 56 Ca 0.17 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.08 1nku h TYR 56 Cb 0.43 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1nku h TYR 56 CO 0.03 0.76 0.55 0.00 -1.64 0.00 0.00 178.16 177.86 1nku h ARG 57 N 1.17 0.96 -0.76 1.82 3.08 -0.93 -1.73 114.38 117.99 1nku h ARG 57 Ca 0.30 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1nku h ARG 57 Cb -0.03 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 1nku h ARG 57 CO -0.06 0.64 0.29 0.00 -1.07 0.00 0.00 179.97 179.77 1nku h ALA 58 N 1.53 0.99 0.00 0.04 0.00 -1.16 1.75 119.26 122.41 1nku h ALA 58 Ca 0.35 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1nku h ALA 58 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1nku h ALA 58 CO -0.12 0.64 -0.49 0.00 0.00 0.00 0.00 179.25 179.28 1nku n PHE 60 N -3.58 0.00 -0.34 0.00 3.01 -0.79 -4.70 117.46 111.06 1nku n PHE 60 Ca -0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.53 1nku n PHE 60 Cb 0.58 0.01 0.26 0.00 -0.01 0.00 0.00 39.48 40.33 1nku n PHE 60 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1nku h HIS 61 N 0.00 1.08 -0.49 1.38 2.76 0.25 0.14 115.15 120.27 1nku h HIS 61 Ca 0.00 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.28 1nku h HIS 61 Cb 0.88 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 1nku h HIS 61 CO 0.00 0.44 0.33 1.96 -1.30 0.00 0.00 177.93 179.36 1nku h GLN 62 N 0.95 0.34 -0.01 5.26 4.20 -1.64 0.79 115.11 125.00 1nku h GLN 62 Ca 0.48 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1nku h GLN 62 Cb 0.50 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1nku h GLN 62 CO -0.24 0.23 -0.20 1.19 -0.67 0.00 0.00 178.83 179.14 1nku n PHE 63 N -4.47 0.00 -1.60 2.96 3.72 0.37 -5.06 117.46 113.38 1nku n PHE 63 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1nku n PHE 63 Cb 0.31 -0.05 -0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1nku n PHE 63 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1nku n ASP 64 N -0.02 -8.45 0.28 4.37 2.03 0.27 -3.51 116.55 111.51 1nku n ASP 64 Ca 0.14 1.88 0.13 0.00 0.52 0.00 0.00 54.79 57.45 1nku n ASP 64 Cb 0.41 -5.15 0.81 0.00 -0.72 0.00 0.00 41.12 36.47 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 0.16 0.00 -0.14 -0.67 0.13 -1.87 -2.89 132.00 126.72 1nku h PRO 65 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1nku h PRO 65 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1nku h PRO 65 CO 0.00 0.02 0.06 0.28 -0.23 0.00 0.00 178.00 178.14 1nku h VAL 66 N 0.00 1.14 -0.31 1.56 2.07 -1.94 -1.87 116.25 116.90 1nku h VAL 66 Ca -0.00 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 1nku h VAL 66 Cb 0.05 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1nku h VAL 66 CO 0.00 0.13 -0.10 0.11 0.02 0.00 0.00 177.57 177.73 1nku h LYS 67 N 0.09 0.52 -0.98 1.57 1.57 -1.55 -2.42 116.57 115.37 1nku h LYS 67 Ca 0.05 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1nku h LYS 67 Cb 0.14 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1nku h LYS 67 CO -0.01 0.63 0.64 0.28 -0.57 0.00 0.00 179.45 180.42 1nku h VAL 68 N 0.49 1.26 0.00 0.50 2.07 -1.32 0.36 116.25 119.60 1nku h VAL 68 Ca 0.09 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1nku h VAL 68 Cb 0.48 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1nku h VAL 68 CO 0.03 0.25 -0.32 0.00 0.02 0.00 0.00 177.57 177.54 1nku h ALA 69 N 1.37 1.22 -0.64 1.67 0.00 -0.88 -1.97 119.26 120.03 1nku h ALA 69 Ca 0.36 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nku h ALA 69 Cb -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1nku h ALA 69 CO -0.08 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1nku n ALA 70 N -2.37 3.18 -2.06 0.00 0.00 0.07 -4.83 120.51 114.50 1nku n ALA 70 Ca -0.01 -1.59 -0.37 0.00 0.00 0.00 0.00 53.44 51.47 1nku n ALA 70 Cb 0.41 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 1nku n ALA 70 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nku s MET 71 N -1.94 4.36 0.37 0.00 -1.94 0.10 -5.01 119.30 115.24 1nku s MET 71 Ca 0.51 0.97 0.07 0.00 -1.71 0.00 0.00 55.69 55.53 1nku s MET 71 Cb 0.33 -3.03 -0.01 0.00 2.01 0.00 0.00 34.83 34.14 1nku s MET 71 CO 0.24 0.47 0.47 -0.65 -0.01 0.00 0.00 175.02 175.53 1nku s GLN 72 N -1.64 2.93 0.48 2.03 -0.21 -1.26 -4.99 119.66 117.00 1nku s GLN 72 Ca 0.40 -1.17 0.16 0.00 0.02 0.00 0.00 55.36 54.77 1nku s GLN 72 Cb -0.19 -2.71 1.17 0.00 1.00 0.00 0.00 33.01 32.27 1nku s GLN 72 CO 0.23 -0.05 2.05 0.93 -2.12 0.00 0.00 175.29 176.32 1nku h GLU 73 N 0.88 0.20 -0.67 2.91 5.08 -2.00 -1.30 114.58 119.69 1nku h GLU 73 Ca -0.44 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 1nku h GLU 73 Cb 1.26 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1nku h GLU 73 CO 0.52 0.13 0.17 1.05 -1.00 0.00 0.00 179.01 179.88 1nku h GLU 74 N 0.21 1.04 -0.81 2.33 4.11 -2.00 -2.21 114.58 117.25 1nku h GLU 74 Ca 0.17 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1nku h GLU 74 Cb 0.40 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1nku h GLU 74 CO -0.03 0.91 0.45 0.22 0.07 0.00 0.00 179.01 180.63 1nku h ASP 75 N 1.00 1.00 -0.84 3.06 1.82 -1.62 -1.72 116.42 119.12 1nku h ASP 75 Ca 0.21 -0.08 0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1nku h ASP 75 Cb 0.33 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 40.05 1nku h ASP 75 CO -0.00 0.80 0.55 0.58 -1.61 0.00 0.00 179.24 179.56 1nku h VAL 76 N 1.13 1.22 -0.28 2.25 2.07 -1.28 -1.71 116.25 119.64 1nku h VAL 76 Ca 0.29 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1nku h VAL 76 Cb 0.02 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1nku h VAL 76 CO -0.05 0.21 0.04 -0.33 0.02 0.00 0.00 177.57 177.47 1nku h GLU 77 N 1.14 0.41 -0.07 1.57 5.08 -0.91 0.79 114.58 122.59 1nku h GLU 77 Ca 0.31 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1nku h GLU 77 Cb -0.12 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1nku h GLU 77 CO -0.07 0.41 -0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1nku h ARG 78 N 0.41 0.13 0.00 2.33 3.08 -0.85 -3.13 114.38 116.34 1nku h ARG 78 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1nku h ARG 78 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1nku h ARG 78 CO 0.00 0.40 -0.11 1.37 -1.07 0.00 0.00 179.97 180.56 1nku h LEU 79 N -0.15 0.00 -1.56 3.04 8.10 -1.35 -3.28 115.31 120.11 1nku h LEU 79 Ca 0.02 -0.00 0.22 0.00 0.11 0.00 0.00 57.88 58.23 1nku h LEU 79 Cb 0.34 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.49 1nku h LEU 79 CO 0.00 0.00 0.62 1.62 -4.11 0.00 0.00 178.44 176.58 1nku h VAL 80 N 0.00 0.63 -0.75 0.15 3.04 -0.78 0.50 116.25 119.05 1nku h VAL 80 Ca 0.00 -0.12 0.08 0.00 -1.01 0.00 0.00 66.70 65.66 1nku h VAL 80 Cb 0.97 0.25 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 1nku h VAL 80 CO 0.00 0.06 0.49 1.56 -1.01 0.00 0.00 177.57 178.67 1nku h GLN 81 N 0.34 0.68 -5.55 4.17 4.20 -1.67 -3.36 115.11 113.92 1nku h GLN 81 Ca 0.49 -0.04 -0.62 0.00 0.06 0.00 0.00 58.65 58.53 1nku h GLN 81 Cb 1.32 -0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.82 1nku h GLN 81 CO -0.17 0.45 0.20 0.34 -0.67 0.00 0.00 178.83 178.98 1nku s ASP 82 N -6.13 6.47 -0.43 1.46 2.15 0.18 -4.92 116.67 115.45 1nku s ASP 82 Ca -0.10 0.24 0.04 0.00 0.43 0.00 0.00 52.55 53.17 1nku s ASP 82 Cb 0.20 -2.34 0.50 0.00 -0.30 0.00 0.00 42.92 40.97 1nku s ASP 82 CO 0.77 -0.61 1.62 0.00 -0.17 0.00 0.00 175.17 176.79 1nku n ALA 83 N 6.10 5.30 -0.41 3.66 0.00 -1.26 -4.72 120.51 129.18 1nku n ALA 83 Ca -0.00 -3.40 0.39 0.00 0.00 0.00 0.00 53.44 50.43 1nku n ALA 83 Cb 0.49 -1.03 0.75 0.00 0.00 0.00 0.00 19.45 19.66 1nku n ALA 83 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nku h GLY 84 N 1.63 0.00 -2.08 0.00 0.00 -1.93 -3.39 103.07 97.30 1nku h GLY 84 Ca 0.43 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.15 1nku h GLY 84 CO 0.95 0.00 -0.72 -0.26 0.00 0.00 0.00 176.54 176.51 1nku s ILE 85 N -4.87 2.37 -0.40 2.60 -4.36 -1.26 -4.95 121.20 110.33 1nku s ILE 85 Ca -0.05 -2.30 -0.18 0.00 -0.26 0.00 0.00 60.65 57.87 1nku s ILE 85 Cb 0.23 -2.49 -0.18 0.00 1.25 0.00 0.00 42.46 41.28 1nku s ILE 85 CO 0.80 -0.30 1.67 -0.38 0.24 0.00 0.00 174.94 176.97 1nku n ILE 86 N -0.72 0.99 -4.13 8.37 -0.00 -1.26 -4.83 119.36 117.78 1nku n ILE 86 Ca -0.05 -0.75 -0.34 0.00 -0.00 0.00 0.00 62.75 61.61 1nku n ILE 86 Cb 0.62 -2.02 -0.07 0.00 -0.00 0.00 0.00 39.64 38.16 1nku n ILE 86 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1nku s ARG 87 N 5.36 3.13 0.15 0.38 1.70 -1.26 -4.98 118.95 123.43 1nku s ARG 87 Ca 0.47 -0.39 0.07 0.00 -0.47 0.00 0.00 55.73 55.41 1nku s ARG 87 Cb 0.11 -2.91 -0.04 0.00 -0.57 0.00 0.00 34.95 31.54 1nku s ARG 87 CO 0.14 0.69 -0.15 -1.58 -1.08 0.00 0.00 175.30 173.32 1nku s HIS 88 N -1.07 1.56 0.30 5.89 2.46 -1.26 -4.95 115.29 118.22 1nku s HIS 88 Ca 0.19 -0.55 0.05 0.00 0.47 0.00 0.00 55.06 55.22 1nku s HIS 88 Cb -0.12 -0.79 0.76 0.00 -0.13 0.00 0.00 32.58 32.31 1nku s HIS 88 CO 0.09 0.23 1.72 -0.09 -2.47 0.00 0.00 174.74 174.21 1nku h ARG 89 N 3.24 0.51 -0.03 2.88 2.43 -1.97 0.30 114.38 121.73 1nku h ARG 89 Ca -0.40 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.68 1nku h ARG 89 Cb 1.20 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1nku h ARG 89 CO 0.53 0.34 -0.21 0.78 -1.51 0.00 0.00 179.97 179.90 1nku h GLY 90 N 0.52 0.22 1.01 2.80 0.00 -2.01 -3.17 103.07 102.45 1nku h GLY 90 Ca 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1nku h GLY 90 CO -0.48 0.29 0.49 1.70 0.00 0.00 0.00 176.54 178.54 1nku h LYS 91 N -0.38 1.03 -0.99 4.80 1.63 -1.61 -2.12 116.57 118.94 1nku h LYS 91 Ca -0.02 -0.08 0.07 0.00 -0.85 0.00 0.00 60.65 59.78 1nku h LYS 91 Cb 0.89 -0.22 -0.07 0.00 -0.60 0.00 0.00 32.23 32.22 1nku h LYS 91 CO 0.04 0.71 0.64 0.82 -3.45 0.00 0.00 179.45 178.20 1nku h ILE 92 N 1.05 1.06 -0.68 2.00 2.04 -0.54 0.79 117.51 123.22 1nku h ILE 92 Ca 0.28 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1nku h ILE 92 Cb -0.08 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 35.81 1nku h ILE 92 CO -0.06 0.20 0.44 1.56 0.00 0.00 0.00 178.15 180.29 1nku h GLN 93 N 1.12 0.90 -0.70 2.37 4.20 -1.35 -0.43 115.11 121.21 1nku h GLN 93 Ca 0.44 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.09 1nku h GLN 93 Cb 0.23 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1nku h GLN 93 CO -0.18 0.61 0.47 0.00 -0.67 0.00 0.00 178.83 179.06 1nku h ALA 94 N 1.55 1.51 -0.92 3.87 0.00 -0.61 -0.71 119.26 123.95 1nku h ALA 94 Ca 0.25 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1nku h ALA 94 Cb -0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 1nku h ALA 94 CO -0.05 0.45 0.60 0.82 0.00 0.00 0.00 179.25 181.07 1nku h ILE 95 N 0.94 1.18 -0.77 0.00 2.04 -0.68 -1.26 117.51 118.97 1nku h ILE 95 Ca 0.26 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.80 1nku h ILE 95 Cb -0.09 -0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 35.82 1nku h ILE 95 CO -0.06 0.22 0.42 0.40 0.00 0.00 0.00 178.15 179.13 1nku h ILE 96 N 1.19 0.89 -0.88 -0.67 1.08 -0.92 -1.00 117.51 117.20 1nku h ILE 96 Ca 0.35 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1nku h ILE 96 Cb -0.05 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 33.77 1nku h ILE 96 CO -0.10 0.13 0.56 1.23 -0.69 0.00 0.00 178.15 179.28 1nku h GLY 97 N 0.71 1.25 0.71 5.37 0.00 -1.04 -2.17 103.07 107.91 1nku h GLY 97 Ca 0.37 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1nku h GLY 97 CO -0.25 0.48 0.38 -0.57 0.00 0.00 0.00 176.54 176.57 1nku h ASN 98 N 1.20 0.57 -0.28 0.19 -0.73 -0.81 0.30 115.58 116.01 1nku h ASN 98 Ca 0.32 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.48 1nku h ASN 98 Cb -0.10 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.39 1nku h ASN 98 CO -0.07 0.37 0.02 0.00 -0.37 0.00 0.00 177.43 177.39 1nku h ALA 99 N 1.34 0.38 -0.66 1.57 0.00 -1.13 0.82 119.26 121.58 1nku h ALA 99 Ca 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 99 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1nku h ALA 99 CO -0.17 0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.43 1nku h ARG 100 N 0.29 1.00 -0.10 0.00 3.08 -0.87 -2.20 114.38 115.58 1nku h ARG 100 Ca 0.08 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1nku h ARG 100 Cb 0.39 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1nku h ARG 100 CO 0.01 0.84 -0.37 0.00 -1.07 0.00 0.00 179.97 179.39 1nku h ALA 101 N 1.11 1.21 0.30 0.04 0.00 -0.25 -2.61 119.26 119.05 1nku h ALA 101 Ca 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1nku h ALA 101 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1nku h ALA 101 CO -0.02 0.54 -0.14 -0.92 0.00 0.00 0.00 179.25 178.71 1nku h TYR 102 N 0.17 -0.37 -0.69 0.00 5.03 -0.22 -2.09 116.97 118.80 1nku h TYR 102 Ca 0.02 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.25 1nku h TYR 102 Cb 0.73 0.12 -0.03 0.00 1.55 0.00 0.00 36.73 39.11 1nku h TYR 102 CO 0.01 -0.21 0.18 -0.07 -1.32 0.00 0.00 178.16 176.74 1nku h LEU 103 N -0.42 1.03 -0.77 2.82 -0.00 -1.42 -2.23 115.31 114.32 1nku h LEU 103 Ca -0.04 -0.21 0.01 0.00 -0.00 0.00 0.00 57.88 57.64 1nku h LEU 103 Cb 0.32 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 40.67 1nku h LEU 103 CO 0.07 0.99 0.50 1.56 -0.00 0.00 0.00 178.44 181.56 1nku h GLN 104 N 1.04 0.99 -0.37 1.13 4.20 -1.29 -1.63 115.11 119.18 1nku h GLN 104 Ca 0.22 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 1nku h GLN 104 Cb 0.35 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1nku h GLN 104 CO 0.00 0.66 -0.24 1.98 -0.67 0.00 0.00 178.83 180.55 1nku h MET 105 N 1.02 0.74 -0.04 1.46 4.05 -1.16 -2.64 114.93 118.36 1nku h MET 105 Ca 0.29 -0.31 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1nku h MET 105 Cb -0.09 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1nku h MET 105 CO -0.07 0.91 -0.10 1.49 0.23 0.00 0.00 176.91 179.37 1nku h GLU 106 N 0.64 0.06 -0.87 0.39 4.81 -0.75 -1.60 114.58 117.26 1nku h GLU 106 Ca 0.09 -0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.49 1nku h GLU 106 Cb 0.75 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 1nku h GLU 106 CO 0.06 0.17 0.57 1.96 -0.73 0.00 0.00 179.01 181.04 1nku h GLN 107 N 0.06 0.47 0.00 1.92 4.20 -0.93 1.19 115.11 122.01 1nku h GLN 107 Ca 0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1nku h GLN 107 Cb 0.23 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1nku h GLN 107 CO 0.01 0.31 -0.34 -1.71 -0.67 0.00 0.00 178.83 176.44 1nku n ASN 108 N -4.52 0.37 -1.69 1.46 5.15 -0.62 -4.93 115.26 110.47 1nku n ASN 108 Ca 0.18 0.05 -0.11 0.00 -0.60 0.00 0.00 54.58 54.10 1nku n ASN 108 Cb 0.61 -0.03 0.02 0.00 -0.53 0.00 0.00 39.78 39.85 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nku n GLY 109 N 1.48 0.11 2.71 8.20 0.00 0.41 -4.99 105.19 113.10 1nku n GLY 109 Ca 0.06 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.20 1.42 0.54 1.61 2.12 -1.21 -5.03 118.70 112.95 1nku s GLU 110 Ca 0.17 -2.21 -0.21 0.00 0.36 0.00 0.00 54.97 53.09 1nku s GLU 110 Cb -0.08 -2.42 -0.06 0.00 0.26 0.00 0.00 34.13 31.84 1nku s GLU 110 CO 0.22 -1.20 1.19 -2.30 -0.54 0.00 0.00 175.26 172.63 1nku n PRO 111 N 3.26 1.41 0.18 4.30 -0.02 -1.26 -4.76 135.00 138.11 1nku n PRO 111 Ca 0.12 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1nku n PRO 111 Cb 0.36 -2.37 0.52 0.00 -0.02 0.00 0.00 33.50 31.99 1nku n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1nku h PHE 112 N 1.19 0.13 -0.61 6.00 -1.00 -1.97 -1.96 116.94 118.73 1nku h PHE 112 Ca -0.49 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.36 1nku h PHE 112 Cb 1.33 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 40.78 1nku h PHE 112 CO 0.43 0.17 0.28 0.00 -1.61 0.00 0.00 178.31 177.58 1nku h ALA 113 N 1.85 0.80 -0.26 2.45 0.00 -1.91 0.59 119.26 122.78 1nku h ALA 113 Ca 0.03 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1nku h ALA 113 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nku h ALA 113 CO 0.00 -0.10 -0.29 0.22 0.00 0.00 0.00 179.25 179.09 1nku h ASP 114 N 0.51 0.55 0.03 0.00 3.58 -1.73 -2.63 116.42 116.73 1nku h ASP 114 Ca 0.29 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1nku h ASP 114 Cb 0.27 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1nku h ASP 114 CO -0.24 0.81 -0.01 0.15 -2.88 0.00 0.00 179.24 177.07 1nku h PHE 115 N 0.46 -0.04 -0.50 0.28 3.57 -0.51 -2.69 116.94 117.51 1nku h PHE 115 Ca 0.06 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1nku h PHE 115 Cb 0.74 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1nku h PHE 115 CO 0.03 0.42 0.29 -0.39 -2.23 0.00 0.00 178.31 176.43 1nku h VAL 116 N -0.51 1.16 -0.69 1.41 -1.51 0.08 -1.81 116.25 114.37 1nku h VAL 116 Ca -0.00 -0.37 0.04 0.00 -1.23 0.00 0.00 66.70 65.14 1nku h VAL 116 Cb 0.48 0.50 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 1nku h VAL 116 CO 0.01 0.16 0.46 -0.50 -1.23 0.00 0.00 177.57 176.47 1nku h TRP 117 N 0.67 0.79 -0.52 5.19 4.06 -1.53 -1.03 115.95 123.58 1nku h TRP 117 Ca 0.18 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 1nku h TRP 117 Cb 0.00 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 27.88 1nku h TRP 117 CO -0.03 0.45 0.29 0.77 -3.56 0.00 0.00 178.44 176.37 1nku h SER 118 N 0.81 0.62 -0.04 -3.49 0.02 -0.98 0.49 113.55 110.98 1nku h SER 118 Ca 0.28 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1nku h SER 118 Cb 0.10 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1nku h SER 118 CO -0.08 0.50 0.02 -0.26 -1.14 0.00 0.00 176.83 175.87 1nku h PHE 119 N 0.72 0.07 -0.56 3.45 -1.00 -0.88 0.16 116.94 118.90 1nku h PHE 119 Ca 0.19 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.94 1nku h PHE 119 Cb 0.00 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 1nku h PHE 119 CO 0.00 0.06 0.03 1.33 -1.61 0.00 0.00 178.31 178.13 1nku n VAL 120 N -4.51 2.74 -3.21 -0.55 0.24 -0.63 -4.90 118.33 107.51 1nku n VAL 120 Ca -0.02 -1.51 -0.21 0.00 -2.04 0.00 0.00 64.34 60.55 1nku n VAL 120 Cb 0.10 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.23 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 0.37 -5.95 -0.91 -1.34 4.05 0.04 -1.90 115.26 109.62 1nku n ASN 121 Ca 0.29 -0.37 -0.03 0.00 0.45 0.00 0.00 54.58 54.92 1nku n ASN 121 Cb 1.19 -4.69 -0.01 0.00 1.23 0.00 0.00 39.78 37.50 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1nku n HIS 122 N -4.61 -0.69 -3.87 1.20 -0.00 0.16 -4.83 115.22 102.59 1nku n HIS 122 Ca -0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.31 1nku n HIS 122 Cb 0.59 -1.30 -0.13 0.00 -0.00 0.00 0.00 29.99 29.15 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 -1.96 2.13 0.50 1.57 -0.21 -0.80 -5.05 119.66 115.84 1nku s GLN 123 Ca 0.00 -1.57 -0.21 0.00 0.02 0.00 0.00 55.36 53.60 1nku s GLN 123 Cb 0.00 -3.35 -0.10 0.00 1.00 0.00 0.00 33.01 30.56 1nku s GLN 123 CO 0.00 -0.85 0.65 -2.30 -2.12 0.00 0.00 175.29 170.67 1nku n PRO 124 N 4.56 0.71 -4.18 2.91 -0.02 -1.26 -4.94 135.00 132.78 1nku n PRO 124 Ca -0.06 0.26 -0.24 0.00 -2.02 0.00 0.00 63.50 61.44 1nku n PRO 124 Cb 0.42 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1nku n PRO 124 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nku s GLN 125 N -1.95 2.63 0.10 -0.52 -0.21 0.11 -5.01 119.66 114.82 1nku s GLN 125 Ca 0.66 -1.13 0.07 0.00 0.02 0.00 0.00 55.36 54.99 1nku s GLN 125 Cb -0.52 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 1nku s GLN 125 CO 0.55 0.42 -0.19 -1.64 -2.12 0.00 0.00 175.29 172.32 1nku s MET 126 N -3.44 1.07 0.09 2.91 -1.94 -1.26 -1.39 119.30 115.33 1nku s MET 126 Ca 0.31 -1.14 0.10 0.00 -1.71 0.00 0.00 55.69 53.24 1nku s MET 126 Cb -0.08 -1.24 -0.04 0.00 2.01 0.00 0.00 34.83 35.49 1nku s MET 126 CO 0.22 0.28 -0.24 -0.08 -0.01 0.00 0.00 175.02 175.18 1nku s THR 127 N -1.32 2.37 -0.50 2.05 -1.32 -1.11 -4.83 115.64 110.98 1nku s THR 127 Ca 0.06 -1.52 0.03 0.00 -1.21 0.00 0.00 61.69 59.04 1nku s THR 127 Cb -0.09 -2.01 0.43 0.00 -1.51 0.00 0.00 72.50 69.32 1nku s THR 127 CO 0.04 0.22 1.49 0.00 -2.21 0.00 0.00 174.62 174.16 1nku n GLN 128 N 1.28 3.23 -2.65 7.08 6.02 -1.26 -4.93 117.38 126.15 1nku n GLN 128 Ca -0.17 -3.96 -0.43 0.00 -0.01 0.00 0.00 57.00 52.43 1nku n GLN 128 Cb 0.52 -2.27 -0.02 0.00 1.02 0.00 0.00 30.24 29.49 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 -3.71 3.59 0.19 -1.58 0.00 -1.26 -4.90 121.76 114.09 1nku s ALA 129 Ca 0.54 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1nku s ALA 129 Cb 0.43 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 20.05 1nku s ALA 129 CO -0.10 -1.27 1.48 1.15 0.00 0.00 0.00 175.76 177.02 1nku h THR 130 N 5.59 1.36 -2.62 0.00 2.02 -1.94 -3.36 112.91 113.96 1nku h THR 130 Ca -0.20 -2.00 -0.62 0.00 0.77 0.00 0.00 66.41 64.35 1nku h THR 130 Cb 1.06 1.99 -0.16 0.00 -1.74 0.00 0.00 68.15 69.30 1nku h THR 130 CO 1.01 0.61 -0.78 -0.89 0.37 0.00 0.00 175.52 175.83 1nku s THR 131 N -3.76 2.41 0.32 3.16 2.01 -1.26 -4.55 115.64 113.97 1nku s THR 131 Ca -0.06 -2.25 0.05 0.00 0.31 0.00 0.00 61.69 59.73 1nku s THR 131 Cb 0.11 -2.22 0.30 0.00 0.01 0.00 0.00 72.50 70.70 1nku s THR 131 CO 0.83 -0.29 1.86 -0.07 -0.69 0.00 0.00 174.62 176.26 1nku h LEU 132 N 2.65 0.81 -1.52 4.42 3.38 -1.98 0.93 115.31 123.99 1nku h LEU 132 Ca -0.42 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1nku h LEU 132 Cb 1.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1nku h LEU 132 CO 0.55 0.43 0.04 0.28 0.09 0.00 0.00 178.44 179.83 1nku h SER 133 N 0.86 0.31 0.12 -0.43 0.02 -1.97 -1.80 113.55 110.67 1nku h SER 133 Ca 0.47 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1nku h SER 133 Cb 0.56 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1nku h SER 133 CO -0.23 0.34 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.44 1nku h GLU 134 N 0.34 0.00 -6.49 3.45 4.39 -1.18 -3.42 114.58 111.68 1nku h GLU 134 Ca 0.08 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.25 1nku h GLU 134 Cb 0.17 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1nku h GLU 134 CO -0.00 0.03 0.86 0.42 -1.16 0.00 0.00 179.01 179.17 1nku s ILE 135 N -4.44 3.19 0.28 3.13 1.09 -0.68 -4.80 121.20 118.96 1nku s ILE 135 Ca -0.04 0.74 -0.29 0.00 -1.10 0.00 0.00 60.65 59.96 1nku s ILE 135 Cb 0.14 -3.48 -0.09 0.00 -1.06 0.00 0.00 42.46 37.97 1nku s ILE 135 CO 0.54 0.03 1.05 -2.16 -0.10 0.00 0.00 174.94 174.30 1nku s PRO 136 N 1.88 4.67 0.00 2.79 0.04 -1.26 -4.95 135.00 138.16 1nku s PRO 136 Ca 0.68 1.69 0.15 0.00 0.04 0.00 0.00 61.00 63.56 1nku s PRO 136 Cb -0.38 -3.16 0.32 0.00 0.04 0.00 0.00 34.50 31.32 1nku s PRO 136 CO 0.30 0.27 1.23 -2.37 0.04 0.00 0.00 177.00 176.47 1nku n THR 137 N 1.17 0.65 -3.64 1.26 5.66 -1.26 -4.80 114.28 113.33 1nku n THR 137 Ca -0.01 -0.82 -0.29 0.00 -3.05 0.00 0.00 64.05 59.87 1nku n THR 137 Cb 0.46 0.79 -0.14 0.00 -1.55 0.00 0.00 70.33 69.89 1nku n THR 137 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1nku s SER 138 N -1.10 3.59 0.13 1.09 0.01 -1.26 -4.99 113.70 111.16 1nku s SER 138 Ca 0.27 -2.04 0.07 0.00 1.31 0.00 0.00 55.95 55.56 1nku s SER 138 Cb 0.15 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1nku s SER 138 CO 0.21 -0.35 -0.06 0.42 0.41 0.00 0.00 173.24 173.88 1nku s THR 139 N 1.15 3.53 0.46 1.44 -4.23 -1.26 -5.02 115.64 111.71 1nku s THR 139 Ca 0.14 -1.33 0.14 0.00 -1.18 0.00 0.00 61.69 59.46 1nku s THR 139 Cb -0.21 -2.71 0.22 0.00 1.34 0.00 0.00 72.50 71.14 1nku s THR 139 CO -0.12 0.02 2.04 1.55 -0.54 0.00 0.00 174.62 177.57 1nku h PRO 140 N 3.23 0.09 -0.19 3.99 0.13 -2.00 -2.68 132.00 134.57 1nku h PRO 140 Ca -0.48 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 1nku h PRO 140 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nku h PRO 140 CO 0.55 0.16 -0.51 0.00 -0.23 0.00 0.00 178.00 177.98 1nku h ALA 141 N 1.85 0.31 -0.53 -0.56 0.00 -1.95 -2.20 119.26 116.18 1nku h ALA 141 Ca 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1nku h ALA 141 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nku h ALA 141 CO 0.01 0.50 0.28 0.77 0.00 0.00 0.00 179.25 180.81 1nku h SER 142 N 0.37 0.68 -0.46 0.00 0.02 -1.88 0.37 113.55 112.64 1nku h SER 142 Ca -0.01 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1nku h SER 142 Cb 1.13 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1nku h SER 142 CO 0.11 0.60 0.12 0.44 -1.14 0.00 0.00 176.83 176.96 1nku h ASP 143 N 0.72 0.69 -0.39 3.07 3.32 -1.49 -1.46 116.42 120.88 1nku h ASP 143 Ca 0.19 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 1nku h ASP 143 Cb 0.08 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1nku h ASP 143 CO -0.03 0.73 -0.32 0.00 -1.72 0.00 0.00 179.24 177.91 1nku h ALA 144 N 0.98 0.56 -0.80 3.45 0.00 -1.12 -2.91 119.26 119.42 1nku h ALA 144 Ca 0.15 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nku h ALA 144 Cb 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1nku h ALA 144 CO -0.00 0.62 0.49 1.25 0.00 0.00 0.00 179.25 181.61 1nku h LEU 145 N 0.72 0.96 -0.06 0.00 6.46 -0.11 -1.12 115.31 122.16 1nku h LEU 145 Ca 0.07 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1nku h LEU 145 Cb 0.91 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1nku h LEU 145 CO 0.08 0.74 0.04 -1.28 -0.62 0.00 0.00 178.44 177.40 1nku h SER 146 N 1.10 0.07 -0.46 1.25 0.87 -1.17 -0.89 113.55 114.31 1nku h SER 146 Ca 0.29 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1nku h SER 146 Cb -0.05 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1nku h SER 146 CO -0.06 0.08 0.24 0.11 -0.53 0.00 0.00 176.83 176.67 1nku h LYS 147 N 0.05 0.69 -0.29 2.24 1.57 -1.30 -1.82 116.57 117.72 1nku h LYS 147 Ca 0.02 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1nku h LYS 147 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1nku h LYS 147 CO -0.00 0.53 0.03 0.00 -0.57 0.00 0.00 179.45 179.44 1nku h ALA 148 N 1.57 0.38 -0.60 3.86 0.00 -0.58 -2.84 119.26 121.05 1nku h ALA 148 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1nku h ALA 148 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1nku h ALA 148 CO -0.02 0.09 0.19 -0.07 0.00 0.00 0.00 179.25 179.44 1nku h LEU 149 N 0.29 0.84 -1.47 0.00 3.38 -0.77 -2.19 115.31 115.39 1nku h LEU 149 Ca 0.08 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1nku h LEU 149 Cb 0.37 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1nku h LEU 149 CO 0.01 0.79 0.41 0.11 0.09 0.00 0.00 178.44 179.85 1nku h LYS 150 N 0.88 0.64 -0.88 1.13 1.57 -1.12 -1.22 116.57 117.57 1nku h LYS 150 Ca 0.20 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1nku h LYS 150 Cb 0.25 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1nku h LYS 150 CO -0.01 0.42 0.53 0.87 -0.57 0.00 0.00 179.45 180.70 1nku h LYS 151 N 0.66 1.19 0.00 3.15 1.57 -1.17 -0.52 116.57 121.45 1nku h LYS 151 Ca 0.26 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1nku h LYS 151 Cb 0.20 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1nku h LYS 151 CO -0.08 0.83 -0.03 0.00 -0.57 0.00 0.00 179.45 179.60 1nku h ARG 152 N 1.21 0.00 0.00 3.15 -0.00 -1.24 -3.46 114.38 114.04 1nku h ARG 152 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.80 1nku h ARG 152 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.91 1nku h ARG 152 CO -0.06 0.03 0.00 0.41 0.00 0.00 0.00 179.97 180.35 1nku n GLY 153 N -0.24 1.84 3.74 0.04 0.00 -0.20 -4.88 105.19 105.48 1nku n GLY 153 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.46 0.56 1.61 0.40 -1.14 -4.85 117.98 116.03 1nku s PHE 154 Ca 0.00 0.56 0.07 0.00 -0.60 0.00 0.00 56.93 56.96 1nku s PHE 154 Cb 0.00 -2.29 0.07 0.00 0.51 0.00 0.00 43.02 41.31 1nku s PHE 154 CO 0.00 0.28 0.77 0.15 0.70 0.00 0.00 175.22 177.12 1nku s LYS 155 N 0.35 2.34 -1.20 0.44 1.02 -1.26 -4.38 119.74 117.04 1nku s LYS 155 Ca 0.15 -1.44 -0.01 0.00 0.02 0.00 0.00 55.97 54.69 1nku s LYS 155 Cb -0.13 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1nku s LYS 155 CO 0.03 -0.81 0.93 1.19 -0.92 0.00 0.00 175.35 175.77 1nku n PHE 156 N -2.25 -2.16 -1.31 3.18 3.72 -1.26 -4.91 117.46 112.46 1nku n PHE 156 Ca 0.14 0.90 0.07 0.00 -0.05 0.00 0.00 57.45 58.50 1nku n PHE 156 Cb 0.61 -4.81 0.18 0.00 -0.94 0.00 0.00 39.48 34.52 1nku n PHE 156 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1nku n VAL 157 N -4.05 2.13 -0.90 -4.37 0.31 -1.26 -4.53 118.33 105.66 1nku n VAL 157 Ca -0.26 -2.67 -0.35 0.00 -0.01 0.00 0.00 64.34 61.05 1nku n VAL 157 Cb 0.66 -0.25 0.08 0.00 -0.91 0.00 0.00 33.84 33.42 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nku n GLY 158 N -1.20 -3.35 0.38 2.92 0.00 -1.26 -4.26 105.19 98.42 1nku n GLY 158 Ca 0.20 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.29 0.79 -0.17 2.61 2.02 -1.97 -0.25 112.91 114.64 1nku h THR 159 Ca -0.44 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1nku h THR 159 Cb 1.30 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1nku h THR 159 CO 0.28 0.06 0.05 0.74 0.37 0.00 0.00 175.52 177.03 1nku h THR 160 N 0.31 1.18 -0.41 3.16 2.02 -1.94 0.23 112.91 117.46 1nku h THR 160 Ca 0.33 -0.56 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 1nku h THR 160 Cb 0.86 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1nku h THR 160 CO -0.08 0.17 -0.17 0.40 0.37 0.00 0.00 175.52 176.21 1nku h ILE 161 N 0.10 1.26 -0.52 3.11 2.04 -1.52 0.08 117.51 122.06 1nku h ILE 161 Ca 0.05 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 1nku h ILE 161 Cb 0.22 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1nku h ILE 161 CO -0.00 0.42 0.06 0.00 0.00 0.00 0.00 178.15 178.63 1nku h TYR 163 N 0.75 0.73 -0.85 0.00 3.20 -0.27 -2.44 116.97 118.08 1nku h TYR 163 Ca 0.15 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1nku h TYR 163 Cb 0.44 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1nku h TYR 163 CO 0.03 0.78 0.56 1.03 -1.64 0.00 0.00 178.16 178.92 1nku h SER 164 N 0.47 0.89 -0.31 -2.11 0.87 -0.78 -1.27 113.55 111.32 1nku h SER 164 Ca 0.10 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1nku h SER 164 Cb 0.51 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1nku h SER 164 CO 0.02 0.60 0.21 0.15 -0.53 0.00 0.00 176.83 177.28 1nku h PHE 165 N 1.03 0.40 -0.52 2.24 3.57 -0.80 -1.61 116.94 121.25 1nku h PHE 165 Ca 0.35 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 1nku h PHE 165 Cb 0.08 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1nku h PHE 165 CO -0.00 0.25 0.19 0.52 -2.23 0.00 0.00 178.31 177.04 1nku h MET 166 N 0.42 0.76 -0.42 1.11 2.86 -0.87 0.22 114.93 119.01 1nku h MET 166 Ca 0.11 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1nku h MET 166 Cb -0.05 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1nku h MET 166 CO -0.02 0.64 0.25 0.37 1.06 0.00 0.00 176.91 179.21 1nku h GLN 167 N 0.75 0.58 0.05 1.72 4.15 -0.46 -0.84 115.11 121.05 1nku h GLN 167 Ca 0.18 -0.05 -0.23 0.00 0.77 0.00 0.00 58.65 59.31 1nku h GLN 167 Cb 0.18 -0.12 0.02 0.00 0.21 0.00 0.00 27.48 27.77 1nku h GLN 167 CO -0.01 0.43 -0.92 0.00 -1.93 0.00 0.00 178.83 176.40 1nku h ALA 168 N 1.11 0.05 -0.79 3.38 0.00 -0.90 -2.97 119.26 119.13 1nku h ALA 168 Ca 0.15 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1nku h ALA 168 Cb 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1nku h ALA 168 CO -0.03 0.54 0.52 0.00 0.00 0.00 0.00 179.25 180.28 1nku n GLY 170 N -1.42 0.85 0.38 0.00 0.00 -0.33 -0.09 105.19 104.59 1nku n GLY 170 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 0.46 -8.71 0.99 4.07 -1.83 -3.40 115.31 106.89 1nku h LEU 171 Ca 0.00 0.03 -0.60 0.00 0.08 0.00 0.00 57.88 57.38 1nku h LEU 171 Cb 0.00 -0.06 -0.23 0.00 1.08 0.00 0.00 40.66 41.45 1nku h LEU 171 CO 0.00 0.23 -0.84 0.68 -1.08 0.00 0.00 178.44 177.43 1nku s VAL 172 N -5.48 1.87 -0.51 1.22 -7.23 -1.26 0.08 120.40 109.09 1nku s VAL 172 Ca -0.08 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.40 1nku s VAL 172 Cb 0.21 -1.66 0.10 0.00 0.56 0.00 0.00 36.38 35.59 1nku s VAL 172 CO 0.77 0.06 0.47 0.20 -0.31 0.00 0.00 175.10 176.29 1nku s ASN 173 N -1.76 6.17 -0.47 4.85 0.01 -0.49 -4.87 114.94 118.38 1nku s ASN 173 Ca 0.09 -1.54 0.04 0.00 -0.71 0.00 0.00 52.86 50.74 1nku s ASN 173 Cb -0.10 -2.21 0.12 0.00 0.41 0.00 0.00 41.25 39.48 1nku s ASN 173 CO 0.04 -0.79 0.21 -1.81 -1.51 0.00 0.00 177.10 173.24 1nku s ASP 174 N 3.14 4.38 0.00 -1.22 1.01 -1.26 -2.76 116.67 119.96 1nku s ASP 174 Ca 0.04 -2.80 0.06 0.00 0.71 0.00 0.00 52.55 50.57 1nku s ASP 174 Cb -0.27 -1.60 0.10 0.00 1.01 0.00 0.00 42.92 42.16 1nku s ASP 174 CO 0.05 -0.27 0.93 1.41 0.21 0.00 0.00 175.17 177.50 1nku n HIS 175 N 3.39 0.00 -1.32 4.23 8.25 -1.26 -5.05 115.22 123.45 1nku n HIS 175 Ca 0.05 -0.17 0.15 0.00 -0.26 0.00 0.00 57.72 57.49 1nku n HIS 175 Cb 0.34 0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.44 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 0.11 -0.40 -2.82 1.59 3.14 -1.26 -4.09 118.33 114.60 1nku n VAL 176 Ca -0.02 0.62 -0.41 0.00 -2.96 0.00 0.00 64.34 61.57 1nku n VAL 176 Cb 0.76 -1.04 -0.04 0.00 -1.06 0.00 0.00 33.84 32.46 1nku n VAL 176 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1nku s VAL 177 N -3.84 4.63 0.00 1.55 1.01 -1.26 -3.60 120.40 118.90 1nku s VAL 177 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1nku s VAL 177 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1nku s VAL 177 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1nku n GLY 178 N 2.39 0.86 0.74 4.51 0.00 0.17 -4.93 105.19 108.93 1nku n GLY 178 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.44 3.15 0.00 0.00 6.14 -1.26 -4.98 117.35 115.96 1nku s TYR 182 Ca -0.05 -3.15 0.00 0.00 0.64 0.00 0.00 57.07 54.52 1nku s TYR 182 Cb 0.14 -2.55 0.00 0.00 0.42 0.00 0.00 41.96 39.97 1nku s TYR 182 CO 0.48 -0.64 0.30 -2.30 0.64 0.00 0.00 175.55 174.03 1nku n PRO 183 N 2.50 0.00 0.00 4.97 -0.02 -1.23 0.46 135.00 141.68 1nku n PRO 183 Ca 0.15 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1nku n PRO 183 Cb 0.35 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 1nku n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nku n GLY 184 N 1.07 2.21 1.30 -1.23 0.00 -1.26 -4.26 105.19 103.03 1nku n GLY 184 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1nku n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nku n ASN 185 N 0.00 0.07 -3.81 1.61 3.02 -1.26 -5.00 115.26 109.89 1nku n ASN 185 Ca 0.00 -2.00 -0.28 0.00 -0.03 0.00 0.00 54.58 52.27 1nku n ASN 185 Cb 0.00 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.03 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nku s LYS 186 N -0.05 2.15 0.00 3.52 -0.14 -1.26 -5.26 119.74 118.71 1nku s LYS 186 Ca 0.18 -3.08 0.31 0.00 -1.36 0.00 0.00 55.97 52.03 1nku s LYS 186 Cb 0.21 -3.05 1.72 0.00 -1.68 0.00 0.00 37.83 35.03 1nku s LYS 186 CO -0.09 -1.29 2.12 -0.35 -0.76 0.00 0.00 175.35 174.98