#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 3.19 0.20 2.12 2.12 -1.26 -5.08 118.70 119.98 1nku s GLU 2 Ca 0.00 -0.57 -0.05 0.00 0.36 0.00 0.00 54.97 54.72 1nku s GLU 2 Cb 0.00 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 1nku s GLU 2 CO 0.00 0.58 0.22 -0.98 -0.54 0.00 0.00 175.26 174.54 1nku s ARG 3 N -2.51 1.24 -0.03 4.30 1.70 -1.26 -2.75 118.95 119.64 1nku s ARG 3 Ca 0.32 -1.47 -0.39 0.00 -0.47 0.00 0.00 55.73 53.73 1nku s ARG 3 Cb -0.12 0.32 -0.17 0.00 -0.57 0.00 0.00 34.95 34.41 1nku s ARG 3 CO 0.25 -0.43 1.38 0.00 -1.08 0.00 0.00 175.30 175.42 1nku h GLY 5 N 4.82 0.56 0.63 0.00 0.00 -1.95 -1.82 103.07 105.30 1nku h GLY 5 Ca -0.48 -0.23 0.15 0.00 0.00 0.00 0.00 47.33 46.77 1nku h GLY 5 CO 0.80 0.23 0.54 1.49 0.00 0.00 0.00 176.54 179.59 1nku h TRP 6 N 0.53 0.00 -3.15 5.60 4.06 -2.02 -3.37 115.95 117.60 1nku h TRP 6 Ca 0.14 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.48 1nku h TRP 6 Cb 0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.07 1nku h TRP 6 CO 0.00 0.00 -0.45 0.08 -3.56 0.00 0.00 178.44 174.52 1nku s VAL 7 N -4.65 5.40 0.00 1.49 1.01 -0.69 -4.95 120.40 118.01 1nku s VAL 7 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1nku s VAL 7 Cb 0.16 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1nku s VAL 7 CO 0.57 0.47 0.00 -0.24 0.00 0.00 0.00 175.10 175.90 1nku n SER 8 N 3.21 1.72 -0.84 3.32 2.88 -1.26 -4.86 113.62 117.79 1nku n SER 8 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1nku n SER 8 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1nku n SER 8 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1nku n GLN 9 N -2.66 0.00 -1.81 -1.46 -0.06 -1.26 -5.13 117.38 105.00 1nku n GLN 9 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1nku n GLN 9 Cb 0.44 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.62 1nku n GLN 9 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1nku n ASP 10 N -0.91 -9.33 0.25 1.69 8.00 -1.26 -4.43 116.55 110.56 1nku n ASP 10 Ca 0.00 1.33 0.14 0.00 0.71 0.00 0.00 54.79 56.97 1nku n ASP 10 Cb 0.00 -5.03 0.55 0.00 -0.02 0.00 0.00 41.12 36.62 1nku n ASP 10 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1nku h PRO 11 N 2.74 0.00 -0.60 -0.24 0.13 -2.00 -3.14 132.00 128.89 1nku h PRO 11 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1nku h PRO 11 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1nku h PRO 11 CO 0.00 0.10 0.17 1.25 -0.23 0.00 0.00 178.00 179.29 1nku h LEU 12 N 0.00 0.84 -0.22 1.56 5.85 -2.00 0.07 115.31 121.42 1nku h LEU 12 Ca -0.00 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1nku h LEU 12 Cb 0.65 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1nku h LEU 12 CO 0.01 0.80 0.11 1.88 -0.34 0.00 0.00 178.44 180.90 1nku h TYR 13 N 0.88 0.32 -0.25 1.25 0.05 -1.76 -2.40 116.97 115.06 1nku h TYR 13 Ca 0.20 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.85 1nku h TYR 13 Cb 0.27 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 1nku h TYR 13 CO 0.02 0.31 -0.30 0.82 -1.05 0.00 0.00 178.16 177.96 1nku h ILE 14 N 0.23 1.28 -0.48 -2.88 2.04 -1.62 -1.72 117.51 114.36 1nku h ILE 14 Ca 0.08 -1.37 0.06 0.00 1.00 0.00 0.00 64.86 64.62 1nku h ILE 14 Cb 0.12 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1nku h ILE 14 CO -0.01 0.43 0.19 0.00 0.00 0.00 0.00 178.15 178.77 1nku h ALA 15 N 1.24 0.59 -0.43 1.87 0.00 -0.67 0.30 119.26 122.16 1nku h ALA 15 Ca 0.06 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1nku h ALA 15 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1nku h ALA 15 CO 0.06 -0.19 -0.04 -0.92 0.00 0.00 0.00 179.25 178.16 1nku h TYR 16 N 0.39 0.77 -0.76 0.00 3.20 -1.19 1.18 116.97 120.56 1nku h TYR 16 Ca 0.22 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1nku h TYR 16 Cb 0.20 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 1nku h TYR 16 CO -0.14 0.74 0.47 1.25 -1.64 0.00 0.00 178.16 178.85 1nku h HIS 17 N 0.67 0.89 0.04 -3.82 2.76 -0.07 -2.57 115.15 113.05 1nku h HIS 17 Ca 0.13 0.02 -0.38 0.00 -2.20 0.00 0.00 60.37 57.95 1nku h HIS 17 Cb 0.47 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 1nku h HIS 17 CO 0.02 0.50 -2.29 -0.25 -1.30 0.00 0.00 177.93 174.61 1nku n ASP 18 N -4.64 1.82 -0.30 3.26 8.00 -0.36 -3.97 116.55 120.37 1nku n ASP 18 Ca 0.09 0.01 0.04 0.00 0.71 0.00 0.00 54.79 55.63 1nku n ASP 18 Cb 0.10 -0.43 0.18 0.00 -0.02 0.00 0.00 41.12 40.95 1nku n ASP 18 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1nku h ASN 19 N 0.02 0.67 -0.07 -2.24 -0.73 0.14 -3.42 115.58 109.96 1nku h ASN 19 Ca -0.52 0.05 0.26 0.00 1.87 0.00 0.00 56.30 57.96 1nku h ASN 19 Cb 1.98 -0.07 -0.18 0.00 0.27 0.00 0.00 38.32 40.31 1nku h ASN 19 CO -0.02 0.37 0.07 -1.83 -0.37 0.00 0.00 177.43 175.65 1nku s GLU 20 N -6.02 0.04 -0.30 6.67 -1.05 -0.97 -5.05 118.70 112.03 1nku s GLU 20 Ca -0.12 0.03 -0.08 0.00 -0.15 0.00 0.00 54.97 54.65 1nku s GLU 20 Cb 0.20 0.02 0.18 0.00 -0.44 0.00 0.00 34.13 34.09 1nku s GLU 20 CO 0.78 -0.07 0.91 -0.46 0.95 0.00 0.00 175.26 177.37 1nku s TRP 21 N 2.91 -0.88 0.00 4.83 -0.00 -1.23 -4.74 118.94 119.83 1nku s TRP 21 Ca 0.31 0.77 0.00 0.00 -0.00 0.00 0.00 56.10 57.18 1nku s TRP 21 Cb 0.01 0.25 0.00 0.00 -0.00 0.00 0.00 33.47 33.72 1nku s TRP 21 CO -0.22 -0.49 0.00 0.41 -0.00 0.00 0.00 176.95 176.65 1nku n GLY 22 N 5.37 0.70 3.85 5.86 0.00 -0.88 -4.88 105.19 115.21 1nku n GLY 22 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.19 4.60 0.01 1.61 -7.23 -1.26 -4.54 120.40 111.41 1nku s VAL 23 Ca 0.00 1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.93 1nku s VAL 23 Cb 0.00 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.24 1nku s VAL 23 CO 0.00 -0.36 1.32 -2.16 -0.31 0.00 0.00 175.10 173.59 1nku s PRO 24 N -3.37 4.33 -0.10 4.82 0.04 -1.25 -3.48 135.00 135.98 1nku s PRO 24 Ca 0.56 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.51 1nku s PRO 24 Cb -0.10 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 30.95 1nku s PRO 24 CO 0.21 -0.48 -0.20 -1.21 0.04 0.00 0.00 177.00 175.36 1nku s GLU 25 N 2.00 2.65 0.00 4.56 8.01 -0.06 -4.98 118.70 130.88 1nku s GLU 25 Ca 0.61 -0.74 0.06 0.00 0.01 0.00 0.00 54.97 54.91 1nku s GLU 25 Cb -0.30 -2.07 0.12 0.00 -4.31 0.00 0.00 34.13 27.57 1nku s GLU 25 CO 0.26 0.10 0.97 0.25 0.01 0.00 0.00 175.26 176.85 1nku n THR 26 N 3.72 0.63 -2.59 3.63 -2.24 -1.26 -4.93 114.28 111.25 1nku n THR 26 Ca -0.20 -0.82 -0.43 0.00 -2.27 0.00 0.00 64.05 60.33 1nku n THR 26 Cb 0.52 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.81 7.03 0.21 3.42 1.01 -1.26 -4.88 116.67 121.38 1nku s ASP 27 Ca 0.10 1.41 -0.10 0.00 0.71 0.00 0.00 52.55 54.67 1nku s ASP 27 Cb 0.06 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.60 1nku s ASP 27 CO 0.08 -0.73 1.85 0.28 0.21 0.00 0.00 175.17 176.86 1nku h SER 28 N 7.77 0.90 -0.46 0.27 0.02 -1.97 -1.13 113.55 118.94 1nku h SER 28 Ca -0.21 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1nku h SER 28 Cb 1.07 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1nku h SER 28 CO 0.99 0.70 0.24 0.11 -1.14 0.00 0.00 176.83 177.72 1nku h LYS 29 N 1.03 0.65 -0.70 3.45 1.57 -1.99 0.17 116.57 120.75 1nku h LYS 29 Ca 0.27 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1nku h LYS 29 Cb -0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1nku h LYS 29 CO -0.05 0.53 0.21 -0.22 -0.57 0.00 0.00 179.45 179.36 1nku h LYS 30 N 0.61 1.09 -0.18 3.15 3.64 -1.88 -2.49 116.57 120.52 1nku h LYS 30 Ca 0.16 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 59.10 1nku h LYS 30 Cb 0.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1nku h LYS 30 CO -0.02 0.94 -0.69 -0.07 -2.27 0.00 0.00 179.45 177.34 1nku h LEU 31 N 1.03 0.84 -0.38 5.20 4.07 -0.92 -2.66 115.31 122.51 1nku h LEU 31 Ca 0.23 -0.52 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 1nku h LEU 31 Cb 0.31 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1nku h LEU 31 CO -0.01 1.30 0.21 0.15 -1.08 0.00 0.00 178.44 179.02 1nku h PHE 32 N 0.52 0.52 -0.03 1.13 3.57 -0.51 -2.63 116.94 119.51 1nku h PHE 32 Ca -0.03 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 1nku h PHE 32 Cb 1.30 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1nku h PHE 32 CO 0.07 0.40 -0.53 1.05 -2.23 0.00 0.00 178.31 177.06 1nku h GLU 33 N 0.49 0.07 0.34 1.11 -0.00 -1.50 -2.89 114.58 112.21 1nku h GLU 33 Ca 0.13 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.36 59.43 1nku h GLU 33 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.80 1nku h GLU 33 CO -0.02 0.59 -0.16 1.98 -0.00 0.00 0.00 179.01 181.39 1nku h MET 34 N 0.06 -0.44 -0.18 1.06 4.05 -1.11 -1.08 114.93 117.29 1nku h MET 34 Ca -0.00 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1nku h MET 34 Cb 0.96 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 1nku h MET 34 CO 0.07 -0.29 -0.21 0.97 0.23 0.00 0.00 176.91 177.68 1nku h ILE 35 N -0.46 1.23 -0.07 1.77 2.10 -1.53 -1.64 117.51 118.91 1nku h ILE 35 Ca -0.05 -1.07 -0.01 0.00 1.08 0.00 0.00 64.86 64.82 1nku h ILE 35 Cb 0.35 1.33 -0.00 0.00 -1.09 0.00 0.00 36.82 37.42 1nku h ILE 35 CO 0.08 0.33 0.02 0.00 -1.08 0.00 0.00 178.15 177.50 1nku h LEU 37 N -0.09 0.87 -1.46 0.00 3.38 -1.08 -2.97 115.31 113.97 1nku h LEU 37 Ca 0.02 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1nku h LEU 37 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1nku h LEU 37 CO -0.00 1.08 0.37 -0.33 0.09 0.00 0.00 178.44 179.65 1nku h GLU 38 N 0.72 0.73 -0.80 1.13 5.08 -1.21 -1.07 114.58 119.15 1nku h GLU 38 Ca 0.09 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1nku h GLU 38 Cb 0.81 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1nku h GLU 38 CO 0.07 0.48 0.53 0.78 -1.00 0.00 0.00 179.01 179.86 1nku h GLY 39 N 0.75 1.00 1.79 -3.84 0.00 -1.27 0.14 103.07 101.63 1nku h GLY 39 Ca 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1nku h GLY 39 CO -0.05 0.12 -0.06 1.46 0.00 0.00 0.00 176.54 178.01 1nku h GLN 40 N 0.64 0.26 -0.55 4.80 4.20 -1.28 -2.31 115.11 120.87 1nku h GLN 40 Ca 0.39 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.11 1nku h GLN 40 Cb 0.62 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1nku h GLN 40 CO -0.15 0.34 0.37 -0.56 -0.67 0.00 0.00 178.83 178.16 1nku h GLN 41 N 0.26 0.49 -6.01 1.46 3.07 -0.72 -3.41 115.11 110.25 1nku h GLN 41 Ca 0.06 -0.03 -0.77 0.00 0.09 0.00 0.00 58.65 58.00 1nku h GLN 41 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.71 1nku h GLN 41 CO 0.01 0.33 1.18 0.00 0.09 0.00 0.00 178.83 180.44 1nku n ALA 42 N -2.49 0.06 -0.09 0.06 0.00 -0.87 0.28 120.51 117.47 1nku n ALA 42 Ca 0.08 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1nku n ALA 42 Cb 0.24 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 6.36 0.71 0.32 0.00 0.00 -1.26 -5.04 105.19 106.28 1nku n GLY 43 Ca 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.89 0.99 4.77 0.81 -5.14 117.00 113.55 1nku n LEU 44 Ca 0.00 -0.28 -0.29 0.00 -0.03 0.00 0.00 56.01 55.40 1nku n LEU 44 Cb 0.00 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1nku n LEU 44 CO 0.00 -0.04 0.38 -0.55 -1.33 0.00 0.00 177.39 175.85 1nku s SER 45 N -1.25 6.47 0.28 -1.43 0.15 -1.26 -4.96 113.70 111.70 1nku s SER 45 Ca 0.00 1.00 0.01 0.00 0.70 0.00 0.00 55.95 57.66 1nku s SER 45 Cb 0.00 -2.27 0.54 0.00 -1.71 0.00 0.00 66.02 62.58 1nku s SER 45 CO 0.00 -0.37 1.84 -0.25 1.20 0.00 0.00 173.24 175.66 1nku h TRP 46 N 1.21 1.16 0.00 3.44 2.91 -2.01 -2.23 115.95 120.43 1nku h TRP 46 Ca -0.47 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.58 1nku h TRP 46 Cb 1.19 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 1nku h TRP 46 CO 0.59 0.47 -0.75 0.97 -1.03 0.00 0.00 178.44 178.69 1nku h ILE 47 N 1.02 0.00 -0.97 2.65 2.10 -2.00 -3.35 117.51 116.96 1nku h ILE 47 Ca 0.49 -0.91 0.19 0.00 1.08 0.00 0.00 64.86 65.72 1nku h ILE 47 Cb 0.46 1.51 -0.09 0.00 -1.09 0.00 0.00 36.82 37.61 1nku h ILE 47 CO -0.26 0.00 0.61 0.74 -1.08 0.00 0.00 178.15 178.17 1nku h THR 48 N 0.00 0.70 -0.35 2.19 2.02 -1.78 0.13 112.91 115.82 1nku h THR 48 Ca 0.00 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 1nku h THR 48 Cb 0.95 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1nku h THR 48 CO 0.00 0.11 -0.30 0.58 0.37 0.00 0.00 175.52 176.28 1nku h VAL 49 N 0.63 1.28 0.05 3.16 2.07 -1.69 -2.22 116.25 119.53 1nku h VAL 49 Ca 0.53 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1nku h VAL 49 Cb 1.00 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1nku h VAL 49 CO -0.29 0.47 -0.03 -0.07 0.02 0.00 0.00 177.57 177.68 1nku h LEU 50 N 0.63 -0.06 -0.81 2.57 3.38 -0.95 1.13 115.31 121.20 1nku h LEU 50 Ca 0.07 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1nku h LEU 50 Cb 0.83 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1nku h LEU 50 CO 0.07 0.02 0.51 0.11 0.09 0.00 0.00 178.44 179.24 1nku h LYS 51 N -0.14 0.95 -0.26 1.13 1.57 -1.47 0.11 116.57 118.47 1nku h LYS 51 Ca -0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1nku h LYS 51 Cb 0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1nku h LYS 51 CO 0.01 0.63 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.25 1nku h LYS 52 N 0.98 0.40 -0.88 3.15 3.64 -0.73 -2.37 116.57 120.76 1nku h LYS 52 Ca 0.33 -0.09 0.18 0.00 -1.27 0.00 0.00 60.65 59.80 1nku h LYS 52 Cb 0.05 -0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 1nku h LYS 52 CO -0.13 0.47 0.44 -0.09 -2.27 0.00 0.00 179.45 177.88 1nku h ARG 53 N 0.38 0.55 -0.24 1.90 2.43 0.40 1.86 114.38 121.66 1nku h ARG 53 Ca 0.08 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1nku h ARG 53 Cb 0.34 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1nku h ARG 53 CO 0.01 0.36 -0.17 0.93 -1.51 0.00 0.00 179.97 179.59 1nku h GLU 54 N 0.56 0.55 -0.40 0.20 5.08 -1.32 -2.00 114.58 117.25 1nku h GLU 54 Ca 0.51 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1nku h GLU 54 Cb 0.82 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1nku h GLU 54 CO -0.42 0.84 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.32 1nku h ASN 55 N 0.26 0.78 -0.53 1.42 -0.26 -0.82 -2.85 115.58 113.57 1nku h ASN 55 Ca 0.05 -0.27 0.03 0.00 -0.56 0.00 0.00 56.30 55.55 1nku h ASN 55 Cb 0.71 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.72 1nku h ASN 55 CO 0.05 0.96 0.31 0.22 -1.06 0.00 0.00 177.43 177.91 1nku h TYR 56 N 0.68 0.57 -0.39 1.19 5.03 0.29 -0.96 116.97 123.38 1nku h TYR 56 Ca 0.10 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.43 1nku h TYR 56 Cb 0.70 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1nku h TYR 56 CO 0.04 0.32 0.26 -0.09 -1.32 0.00 0.00 178.16 177.36 1nku h ARG 57 N 0.61 0.51 -0.63 1.82 2.43 -1.14 0.51 114.38 118.49 1nku h ARG 57 Ca 0.22 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1nku h ARG 57 Cb 0.05 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1nku h ARG 57 CO -0.11 0.34 0.17 0.00 -1.51 0.00 0.00 179.97 178.85 1nku h ALA 58 N 1.76 0.83 0.06 2.80 0.00 -0.98 -2.73 119.26 120.99 1nku h ALA 58 Ca 0.15 -0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 1nku h ALA 58 Cb -0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1nku h ALA 58 CO -0.03 0.53 -2.11 0.00 0.00 0.00 0.00 179.25 177.63 1nku h PHE 60 N 0.03 0.00 -0.78 0.00 -1.00 -0.08 -3.33 116.94 111.78 1nku h PHE 60 Ca -0.45 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.39 1nku h PHE 60 Cb 2.02 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 41.53 1nku h PHE 60 CO 0.04 0.84 0.51 0.45 -1.61 0.00 0.00 178.31 178.54 1nku h HIS 61 N -1.00 0.86 -0.57 -0.55 3.86 -1.61 -0.20 115.15 115.94 1nku h HIS 61 Ca -0.03 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 1nku h HIS 61 Cb 0.83 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 1nku h HIS 61 CO 0.20 0.46 0.39 0.37 0.86 0.00 0.00 177.93 180.21 1nku h GLN 62 N 0.85 0.27 -0.58 2.45 5.75 -1.70 0.31 115.11 122.46 1nku h GLN 62 Ca 0.33 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 1nku h GLN 62 Cb 0.22 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1nku h GLN 62 CO -0.11 0.18 0.00 1.19 -2.65 0.00 0.00 178.83 177.43 1nku n PHE 63 N -4.45 0.89 -1.10 3.99 3.01 -0.10 -5.05 117.46 114.66 1nku n PHE 63 Ca 0.10 -0.36 0.12 0.00 1.01 0.00 0.00 57.45 58.31 1nku n PHE 63 Cb 0.44 -0.15 -0.04 0.00 -0.01 0.00 0.00 39.48 39.72 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nku n ASP 64 N 0.65 -5.42 -0.07 4.37 9.92 0.11 -4.12 116.55 121.99 1nku n ASP 64 Ca 0.16 0.65 -0.10 0.00 -0.53 0.00 0.00 54.79 54.97 1nku n ASP 64 Cb 0.57 -3.52 -0.08 0.00 -0.64 0.00 0.00 41.12 37.45 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nku h PRO 65 N -1.26 0.00 -0.92 -0.24 0.13 -1.86 -3.31 132.00 124.55 1nku h PRO 65 Ca -0.06 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.21 1nku h PRO 65 Cb 1.23 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 1nku h PRO 65 CO 0.03 0.63 0.53 0.28 -0.23 0.00 0.00 178.00 179.24 1nku h VAL 66 N -1.00 0.80 -0.44 1.56 2.07 -1.99 -0.69 116.25 116.55 1nku h VAL 66 Ca -0.05 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1nku h VAL 66 Cb 0.72 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1nku h VAL 66 CO -0.03 0.14 0.12 0.11 0.02 0.00 0.00 177.57 177.93 1nku h LYS 67 N 0.77 0.66 -0.54 1.57 1.57 -1.73 -1.58 116.57 117.29 1nku h LYS 67 Ca 0.49 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1nku h LYS 67 Cb 0.62 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1nku h LYS 67 CO -0.32 0.59 0.32 -0.39 -0.57 0.00 0.00 179.45 179.07 1nku h VAL 68 N 0.64 1.17 -0.00 0.50 -1.51 -1.21 0.76 116.25 116.61 1nku h VAL 68 Ca 0.15 -0.41 -0.05 0.00 -1.23 0.00 0.00 66.70 65.16 1nku h VAL 68 Cb 0.22 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 29.83 1nku h VAL 68 CO -0.01 0.18 -0.26 0.00 -1.23 0.00 0.00 177.57 176.26 1nku h ALA 69 N 1.15 1.57 -0.66 5.19 0.00 -1.33 -1.87 119.26 123.32 1nku h ALA 69 Ca 0.19 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1nku h ALA 69 Cb 0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.58 1nku h ALA 69 CO -0.03 0.32 0.27 0.00 0.00 0.00 0.00 179.25 179.81 1nku n ALA 70 N -2.49 4.74 -1.58 0.00 0.00 -0.21 -4.76 120.51 116.21 1nku n ALA 70 Ca -0.02 -2.83 -0.30 0.00 0.00 0.00 0.00 53.44 50.29 1nku n ALA 70 Cb 0.31 -1.10 0.09 0.00 0.00 0.00 0.00 19.45 18.75 1nku n ALA 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1nku s MET 71 N -3.19 2.16 0.18 0.00 1.75 0.25 -4.93 119.30 115.52 1nku s MET 71 Ca 0.51 0.64 0.07 0.00 -1.25 0.00 0.00 55.69 55.66 1nku s MET 71 Cb 0.44 -1.93 -0.04 0.00 2.84 0.00 0.00 34.83 36.14 1nku s MET 71 CO 0.07 -1.57 0.03 -0.65 -0.65 0.00 0.00 175.02 172.26 1nku s GLN 72 N -5.17 2.51 0.41 4.11 -1.52 -1.26 -5.00 119.66 113.74 1nku s GLN 72 Ca 0.60 -1.07 0.09 0.00 -1.95 0.00 0.00 55.36 53.03 1nku s GLN 72 Cb -0.14 -2.41 0.89 0.00 -0.22 0.00 0.00 33.01 31.13 1nku s GLN 72 CO 0.54 0.46 2.03 0.93 -0.25 0.00 0.00 175.29 179.00 1nku h GLU 73 N 2.58 0.53 -0.68 2.91 5.08 -2.00 -0.42 114.58 122.58 1nku h GLU 73 Ca -0.47 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 1nku h GLU 73 Cb 1.21 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1nku h GLU 73 CO 0.59 0.35 0.27 0.93 -1.00 0.00 0.00 179.01 180.15 1nku h GLU 74 N 0.54 1.00 -0.82 2.33 5.08 -2.01 -1.84 114.58 118.86 1nku h GLU 74 Ca 0.20 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1nku h GLU 74 Cb 0.12 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1nku h GLU 74 CO -0.05 0.81 0.48 -0.44 -1.00 0.00 0.00 179.01 178.80 1nku h ASP 75 N 0.98 0.99 -0.87 1.42 3.32 -1.47 -1.99 116.42 118.79 1nku h ASP 75 Ca 0.23 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1nku h ASP 75 Cb 0.18 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1nku h ASP 75 CO -0.02 0.77 0.54 0.58 -1.72 0.00 0.00 179.24 179.39 1nku h VAL 76 N 1.13 1.23 -0.84 -1.35 2.07 -1.03 -2.17 116.25 115.29 1nku h VAL 76 Ca 0.29 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1nku h VAL 76 Cb -0.02 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.70 1nku h VAL 76 CO -0.05 0.24 0.41 -0.08 0.02 0.00 0.00 177.57 178.10 1nku h GLU 77 N 1.19 1.21 -0.68 1.57 4.81 -1.08 -1.73 114.58 119.86 1nku h GLU 77 Ca 0.31 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1nku h GLU 77 Cb -0.08 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.05 1nku h GLU 77 CO -0.06 0.92 0.37 -0.09 -0.73 0.00 0.00 179.01 179.42 1nku h ARG 78 N 1.20 0.95 -0.34 1.92 2.43 -1.05 -2.17 114.38 117.32 1nku h ARG 78 Ca 0.29 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1nku h ARG 78 Cb 0.11 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1nku h ARG 78 CO -0.04 0.71 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.94 1nku h LEU 79 N 0.93 0.58 -1.70 3.80 3.38 -1.07 0.17 115.31 121.41 1nku h LEU 79 Ca 0.24 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1nku h LEU 79 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1nku h LEU 79 CO -0.04 0.73 0.25 0.58 0.09 0.00 0.00 178.44 180.05 1nku h VAL 80 N 0.55 1.03 0.00 1.22 2.07 -0.69 -3.09 116.25 117.34 1nku h VAL 80 Ca 0.10 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1nku h VAL 80 Cb 0.53 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1nku h VAL 80 CO 0.03 0.07 -0.33 1.56 0.02 0.00 0.00 177.57 178.93 1nku h GLN 81 N 0.40 0.00 -6.66 1.57 4.20 -0.98 -3.47 115.11 110.18 1nku h GLN 81 Ca 0.15 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.36 1nku h GLN 81 Cb 0.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1nku h GLN 81 CO -0.03 0.25 0.12 -0.51 -0.67 0.00 0.00 178.83 177.99 1nku s ASP 82 N -5.86 6.94 0.00 1.46 1.01 0.52 -4.65 116.67 116.09 1nku s ASP 82 Ca -0.11 1.38 0.00 0.00 0.71 0.00 0.00 52.55 54.53 1nku s ASP 82 Cb 0.01 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1nku s ASP 82 CO 0.24 -0.08 0.00 0.00 0.21 0.00 0.00 175.17 175.53 1nku n ALA 83 N 0.21 -2.56 0.45 5.23 0.00 -1.26 -4.45 120.51 118.13 1nku n ALA 83 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 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 -0.28 0.10 3.50 0.00 0.00 -1.26 -4.62 105.19 102.63 1nku n GLY 84 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.05 0.00 -1.48 -0.61 -5.35 -1.26 -4.61 119.36 105.99 1nku n ILE 85 Ca 0.00 -0.05 0.01 0.00 -0.27 0.00 0.00 62.75 62.44 1nku n ILE 85 Cb 0.04 -1.79 -0.01 0.00 -1.74 0.00 0.00 39.64 36.15 1nku n ILE 85 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1nku n ILE 86 N 8.00 -2.29 -4.18 7.28 5.41 -1.26 -4.85 119.36 127.47 1nku n ILE 86 Ca 0.38 1.17 -0.34 0.00 1.00 0.00 0.00 62.75 64.96 1nku n ILE 86 Cb 0.45 -1.94 -0.12 0.00 -0.71 0.00 0.00 39.64 37.32 1nku n ILE 86 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1nku s ARG 87 N -5.13 3.73 -0.32 0.38 0.52 -1.26 -4.99 118.95 111.89 1nku s ARG 87 Ca 0.00 -0.47 -0.06 0.00 -0.52 0.00 0.00 55.73 54.67 1nku s ARG 87 Cb 0.00 -3.05 0.24 0.00 0.52 0.00 0.00 34.95 32.66 1nku s ARG 87 CO 0.00 0.16 1.20 -2.39 0.02 0.00 0.00 175.30 174.30 1nku n HIS 88 N 3.80 -0.31 -0.28 -0.53 1.44 -1.26 -5.01 115.22 113.08 1nku n HIS 88 Ca -0.17 -0.59 0.21 0.00 -2.01 0.00 0.00 57.72 55.16 1nku n HIS 88 Cb 0.52 1.04 0.52 0.00 0.12 0.00 0.00 29.99 32.19 1nku n HIS 88 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 1nku h ARG 89 N 3.62 0.38 -0.63 -1.40 2.43 -1.97 0.18 114.38 116.99 1nku h ARG 89 Ca -0.12 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1nku h ARG 89 Cb 1.20 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1nku h ARG 89 CO -0.18 0.25 0.40 0.78 -1.51 0.00 0.00 179.97 179.71 1nku h GLY 90 N 0.39 0.90 1.10 2.80 0.00 -2.00 -2.33 103.07 103.93 1nku h GLY 90 Ca 0.52 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 1nku h GLY 90 CO -0.22 0.34 -0.01 0.50 0.00 0.00 0.00 176.54 177.15 1nku h LYS 91 N 0.85 1.07 -0.55 4.80 1.79 -1.06 -2.63 116.57 120.83 1nku h LYS 91 Ca 0.23 -0.34 0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1nku h LYS 91 Cb -0.07 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.44 1nku h LYS 91 CO -0.05 1.05 0.29 0.82 -1.08 0.00 0.00 179.45 180.48 1nku h ILE 92 N 0.97 0.97 -0.30 1.86 2.04 -1.01 -0.18 117.51 121.84 1nku h ILE 92 Ca 0.17 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1nku h ILE 92 Cb 0.57 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1nku h ILE 92 CO 0.03 0.10 0.15 1.56 0.00 0.00 0.00 178.15 180.00 1nku h GLN 93 N 0.56 0.41 -0.54 2.37 1.08 -1.23 -2.23 115.11 115.54 1nku h GLN 93 Ca 0.24 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1nku h GLN 93 Cb 0.14 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 1nku h GLN 93 CO -0.16 0.32 0.31 0.00 -0.95 0.00 0.00 178.83 178.35 1nku h ALA 94 N 1.75 0.69 -0.47 3.87 0.00 -0.67 -2.12 119.26 122.30 1nku h ALA 94 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 94 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1nku h ALA 94 CO -0.02 0.19 0.29 0.82 0.00 0.00 0.00 179.25 180.53 1nku h ILE 95 N 0.72 1.09 -0.12 0.00 5.03 -1.04 0.39 117.51 123.58 1nku h ILE 95 Ca 0.19 -0.20 0.03 0.00 -0.12 0.00 0.00 64.86 64.76 1nku h ILE 95 Cb 0.01 0.44 -0.03 0.00 -3.03 0.00 0.00 36.82 34.21 1nku h ILE 95 CO -0.03 0.11 -0.08 0.40 -0.68 0.00 0.00 178.15 177.86 1nku h ILE 96 N 0.60 0.75 -0.44 -0.67 2.04 -1.31 -1.10 117.51 117.37 1nku h ILE 96 Ca 0.18 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.96 1nku h ILE 96 Cb -0.03 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1nku h ILE 96 CO -0.06 0.00 -0.05 1.23 0.00 0.00 0.00 178.15 179.27 1nku h GLY 97 N -0.09 0.81 1.16 5.37 0.00 -1.00 -2.75 103.07 106.56 1nku h GLY 97 Ca 0.08 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1nku h GLY 97 CO -0.18 0.52 0.50 3.43 0.00 0.00 0.00 176.54 180.81 1nku h ASN 98 N 0.69 0.98 -0.53 0.19 -0.26 0.53 -2.12 115.58 115.07 1nku h ASN 98 Ca 0.13 -0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 55.72 1nku h ASN 98 Cb 0.50 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1nku h ASN 98 CO 0.03 0.75 -0.05 0.00 -1.06 0.00 0.00 177.43 177.09 1nku h ALA 99 N 1.42 0.71 -0.88 -0.83 0.00 -0.95 -1.69 119.26 117.04 1nku h ALA 99 Ca 0.30 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nku h ALA 99 Cb -0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1nku h ALA 99 CO -0.06 0.58 0.57 -0.09 0.00 0.00 0.00 179.25 180.26 1nku h ARG 100 N 0.83 1.11 -0.55 0.00 2.43 -1.20 -1.65 114.38 115.36 1nku h ARG 100 Ca 0.14 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 1nku h ARG 100 Cb 0.60 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1nku h ARG 100 CO 0.04 0.73 -0.09 0.00 -1.51 0.00 0.00 179.97 179.14 1nku h ALA 101 N 1.34 0.80 -0.69 2.80 0.00 -1.14 -2.72 119.26 119.65 1nku h ALA 101 Ca 0.34 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nku h ALA 101 Cb -0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1nku h ALA 101 CO -0.10 0.67 0.45 -0.92 0.00 0.00 0.00 179.25 179.36 1nku h TYR 102 N 0.92 0.86 -0.50 0.00 3.20 -0.54 -1.60 116.97 119.30 1nku h TYR 102 Ca 0.15 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1nku h TYR 102 Cb 0.65 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1nku h TYR 102 CO 0.04 0.53 0.21 -0.07 -1.64 0.00 0.00 178.16 177.23 1nku h LEU 103 N 0.92 0.64 -0.74 2.82 3.38 -1.15 -2.18 115.31 119.00 1nku h LEU 103 Ca 0.26 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1nku h LEU 103 Cb -0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1nku h LEU 103 CO -0.07 0.58 0.46 -0.61 0.09 0.00 0.00 178.44 178.89 1nku h GLN 104 N 0.71 0.84 -0.37 1.13 4.15 -0.98 1.25 115.11 121.84 1nku h GLN 104 Ca 0.17 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1nku h GLN 104 Cb 0.13 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1nku h GLN 104 CO -0.02 0.56 0.01 0.52 -1.93 0.00 0.00 178.83 177.97 1nku h MET 105 N 0.87 0.65 -0.01 1.69 2.86 -1.18 -2.89 114.93 116.92 1nku h MET 105 Ca 0.31 -0.20 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 1nku h MET 105 Cb 0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1nku h MET 105 CO -0.14 0.75 -0.64 1.49 1.06 0.00 0.00 176.91 179.44 1nku h GLU 106 N 0.47 0.04 -0.89 1.72 4.81 -0.93 -2.09 114.58 117.71 1nku h GLU 106 Ca 0.11 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.48 1nku h GLU 106 Cb 0.45 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 1nku h GLU 106 CO 0.02 0.66 0.58 0.37 -0.73 0.00 0.00 179.01 179.91 1nku h GLN 107 N 0.03 0.53 -0.10 1.92 4.15 0.18 1.18 115.11 123.00 1nku h GLN 107 Ca -0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1nku h GLN 107 Cb 1.13 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1nku h GLN 107 CO 0.09 0.35 0.00 0.09 -1.93 0.00 0.00 178.83 177.43 1nku n ASN 108 N -4.55 1.35 -0.71 -0.69 5.03 -1.16 -4.89 115.26 109.63 1nku n ASN 108 Ca 0.18 -1.58 -0.05 0.00 0.87 0.00 0.00 54.58 54.00 1nku n ASN 108 Cb 0.58 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 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 1.10 0.23 3.22 7.41 0.00 0.41 -5.01 105.19 112.54 1nku n GLY 109 Ca 0.17 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 1nku n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nku s GLU 110 N -4.45 2.43 0.19 1.61 2.02 -0.79 -5.00 118.70 114.71 1nku s GLU 110 Ca 0.03 -1.46 -0.33 0.00 0.02 0.00 0.00 54.97 53.23 1nku s GLU 110 Cb -0.01 -3.57 -0.14 0.00 0.10 0.00 0.00 34.13 30.51 1nku s GLU 110 CO 0.03 -0.87 1.39 -2.30 0.02 0.00 0.00 175.26 173.53 1nku n PRO 111 N 4.77 1.79 -0.18 0.39 -0.02 -1.26 -4.00 135.00 136.50 1nku n PRO 111 Ca -0.09 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1nku n PRO 111 Cb 0.43 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.63 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 4.46 0.80 -0.43 6.00 3.57 -1.93 -2.68 116.94 126.73 1nku h PHE 112 Ca -0.45 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 60.97 1nku h PHE 112 Cb 1.29 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1nku h PHE 112 CO 0.58 0.68 0.23 0.00 -2.23 0.00 0.00 178.31 177.57 1nku h ALA 113 N 1.03 0.55 -0.80 2.41 0.00 -1.90 -2.45 119.26 118.09 1nku h ALA 113 Ca 0.17 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1nku h ALA 113 Cb 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1nku h ALA 113 CO -0.01 0.09 0.53 -0.44 0.00 0.00 0.00 179.25 179.42 1nku h ASP 114 N 0.56 0.85 -0.41 0.00 3.32 -1.87 -1.96 116.42 116.91 1nku h ASP 114 Ca 0.15 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1nku h ASP 114 Cb 0.08 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1nku h ASP 114 CO -0.02 0.58 0.18 0.15 -1.72 0.00 0.00 179.24 178.41 1nku h PHE 115 N 0.98 0.33 -0.42 4.55 3.57 -1.10 -0.86 116.94 124.00 1nku h PHE 115 Ca 0.32 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.87 1nku h PHE 115 Cb 0.05 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1nku h PHE 115 CO -0.00 0.16 0.22 0.28 -2.23 0.00 0.00 178.31 176.73 1nku h VAL 116 N 0.37 0.99 -0.66 1.41 2.07 -1.19 -1.46 116.25 117.79 1nku h VAL 116 Ca 0.18 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1nku h VAL 116 Cb 0.12 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1nku h VAL 116 CO -0.15 0.08 0.44 -0.50 0.02 0.00 0.00 177.57 177.45 1nku h TRP 117 N 0.44 0.76 -0.66 1.57 4.06 -0.99 -1.64 115.95 119.50 1nku h TRP 117 Ca 0.18 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.17 1nku h TRP 117 Cb 0.07 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 27.94 1nku h TRP 117 CO -0.09 0.44 0.43 0.77 -3.56 0.00 0.00 178.44 176.43 1nku h SER 118 N 0.79 0.71 -0.42 -3.49 0.02 -0.08 0.15 113.55 111.23 1nku h SER 118 Ca 0.26 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1nku h SER 118 Cb 0.07 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1nku h SER 118 CO -0.07 0.50 0.15 -0.26 -1.14 0.00 0.00 176.83 176.01 1nku h PHE 119 N 0.83 0.72 -0.45 3.45 -1.00 -1.10 -1.16 116.94 118.24 1nku h PHE 119 Ca 0.25 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.98 1nku h PHE 119 Cb -0.01 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.33 1nku h PHE 119 CO -0.00 0.60 0.00 1.33 -1.61 0.00 0.00 178.31 178.63 1nku n VAL 120 N -4.32 0.85 -2.89 -0.55 0.24 -0.77 -4.89 118.33 106.00 1nku n VAL 120 Ca 0.04 -0.68 -0.19 0.00 -2.04 0.00 0.00 64.34 61.46 1nku n VAL 120 Cb 0.19 0.18 0.03 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.78 -5.52 -1.89 -1.34 5.15 -0.44 -1.70 115.26 110.30 1nku n ASN 121 Ca 0.16 -0.24 -0.12 0.00 -0.60 0.00 0.00 54.58 53.78 1nku n ASN 121 Cb 0.49 -4.36 -0.03 0.00 -0.53 0.00 0.00 39.78 35.34 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1nku n HIS 122 N -4.34 -0.92 -3.83 1.20 -0.00 0.46 -4.91 115.22 102.88 1nku n HIS 122 Ca -0.10 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.25 1nku n HIS 122 Cb 0.61 -2.58 -0.13 0.00 -0.00 0.00 0.00 29.99 27.88 1nku n HIS 122 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1nku s GLN 123 N -4.02 2.81 0.50 1.57 2.00 -0.69 -5.10 119.66 116.74 1nku s GLN 123 Ca 0.00 -1.03 -0.21 0.00 -2.00 0.00 0.00 55.36 52.12 1nku s GLN 123 Cb 0.00 -3.26 -0.07 0.00 0.80 0.00 0.00 33.01 30.48 1nku s GLN 123 CO 0.00 -0.51 1.16 -1.25 -0.50 0.00 0.00 175.29 174.19 1nku s PRO 124 N 1.39 3.56 0.10 1.67 0.04 -1.26 -4.92 135.00 135.58 1nku s PRO 124 Ca -0.00 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.84 1nku s PRO 124 Cb -0.18 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1nku s PRO 124 CO 0.00 -0.70 -0.16 -0.65 0.04 0.00 0.00 177.00 175.53 1nku s GLN 125 N -2.95 1.90 0.07 4.56 -0.21 -0.91 -5.05 119.66 117.06 1nku s GLN 125 Ca 0.68 -1.12 0.07 0.00 0.02 0.00 0.00 55.36 55.01 1nku s GLN 125 Cb -0.27 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 1nku s GLN 125 CO 0.32 0.49 -0.19 1.41 -2.12 0.00 0.00 175.29 175.21 1nku s MET 126 N -2.06 1.11 0.09 2.91 -2.45 -1.26 -1.34 119.30 116.30 1nku s MET 126 Ca 0.18 -1.01 0.03 0.00 -1.25 0.00 0.00 55.69 53.65 1nku s MET 126 Cb -0.11 -1.26 -0.04 0.00 1.25 0.00 0.00 34.83 34.68 1nku s MET 126 CO 0.10 0.30 -0.09 -0.08 1.05 0.00 0.00 175.02 176.30 1nku s THR 127 N -1.03 0.86 -0.34 10.11 -1.32 -1.11 -4.90 115.64 117.90 1nku s THR 127 Ca 0.05 -1.64 0.12 0.00 -1.21 0.00 0.00 61.69 59.01 1nku s THR 127 Cb -0.09 -1.34 0.46 0.00 -1.51 0.00 0.00 72.50 70.01 1nku s THR 127 CO 0.03 -0.60 1.08 1.67 -2.21 0.00 0.00 174.62 174.59 1nku n GLN 128 N 0.54 2.54 -2.29 7.08 -0.06 -1.26 -4.79 117.38 119.13 1nku n GLN 128 Ca -0.16 -3.92 -0.37 0.00 -2.00 0.00 0.00 57.00 50.56 1nku n GLN 128 Cb 0.58 -1.87 -0.01 0.00 -4.06 0.00 0.00 30.24 24.88 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nku s ALA 129 N -3.48 2.93 -0.16 1.69 0.00 -1.26 -4.75 121.76 116.73 1nku s ALA 129 Ca 0.39 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 1nku s ALA 129 Cb 0.40 -3.36 -0.23 0.00 0.00 0.00 0.00 23.12 19.93 1nku s ALA 129 CO -0.05 -0.62 0.19 2.41 0.00 0.00 0.00 175.76 177.68 1nku n THR 130 N -0.60 1.65 -4.41 0.00 -1.04 -1.26 -2.23 114.28 106.39 1nku n THR 130 Ca 0.08 -0.65 -0.25 0.00 -2.04 0.00 0.00 64.05 61.19 1nku n THR 130 Cb 0.49 -1.50 -0.11 0.00 -1.82 0.00 0.00 70.33 67.39 1nku n THR 130 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nku s THR 131 N -2.55 2.23 0.40 12.58 2.01 -1.26 -4.69 115.64 124.37 1nku s THR 131 Ca -0.24 -2.11 0.10 0.00 0.31 0.00 0.00 61.69 59.75 1nku s THR 131 Cb 0.07 -2.10 0.31 0.00 0.01 0.00 0.00 72.50 70.79 1nku s THR 131 CO 0.72 -0.26 1.97 -0.07 -0.69 0.00 0.00 174.62 176.30 1nku h LEU 132 N 2.94 0.50 -1.55 4.42 3.38 -1.94 -0.47 115.31 122.60 1nku h LEU 132 Ca -0.43 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1nku h LEU 132 Cb 1.22 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1nku h LEU 132 CO 0.52 0.31 0.36 0.28 0.09 0.00 0.00 178.44 180.01 1nku h SER 133 N 0.57 0.50 -0.26 -0.43 0.02 -2.01 -1.01 113.55 110.93 1nku h SER 133 Ca 0.29 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1nku h SER 133 Cb 0.40 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1nku h SER 133 CO -0.09 0.34 0.10 -0.33 -1.14 0.00 0.00 176.83 175.70 1nku h GLU 134 N 0.58 0.46 -6.16 3.45 4.39 -1.48 -3.40 114.58 112.41 1nku h GLU 134 Ca 0.22 -0.06 -0.57 0.00 0.34 0.00 0.00 59.36 59.29 1nku h GLU 134 Cb 0.16 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 1nku h GLU 134 CO -0.06 0.42 0.62 0.42 -1.16 0.00 0.00 179.01 179.25 1nku s ILE 135 N -5.16 4.76 0.28 3.13 1.01 -0.38 -5.02 121.20 119.82 1nku s ILE 135 Ca -0.07 1.99 -0.29 0.00 0.00 0.00 0.00 60.65 62.28 1nku s ILE 135 Cb 0.16 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 1nku s ILE 135 CO 0.74 -0.05 1.03 -2.16 0.00 0.00 0.00 174.94 174.49 1nku s PRO 136 N 2.42 4.66 0.00 2.79 0.04 -1.26 -4.94 135.00 138.72 1nku s PRO 136 Ca 0.46 1.63 0.29 0.00 0.04 0.00 0.00 61.00 63.42 1nku s PRO 136 Cb -0.17 -3.12 1.28 0.00 0.04 0.00 0.00 34.50 32.53 1nku s PRO 136 CO 0.13 0.29 1.88 -2.37 0.04 0.00 0.00 177.00 176.97 1nku n THR 137 N 1.11 0.00 -3.54 1.26 5.66 -1.26 -4.48 114.28 113.03 1nku n THR 137 Ca -0.01 -0.11 -0.29 0.00 -3.05 0.00 0.00 64.05 60.59 1nku n THR 137 Cb 0.46 0.05 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 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 -2.22 3.21 0.44 1.09 0.01 -1.26 -4.54 113.70 110.42 1nku s SER 138 Ca 0.36 -2.25 -0.02 0.00 1.31 0.00 0.00 55.95 55.34 1nku s SER 138 Cb 0.21 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1nku s SER 138 CO 0.41 -0.31 0.69 0.42 0.41 0.00 0.00 173.24 174.87 1nku s THR 139 N 0.94 4.72 0.31 1.44 -4.23 -1.26 -4.86 115.64 112.70 1nku s THR 139 Ca 0.17 -0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1nku s THR 139 Cb -0.23 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.15 1nku s THR 139 CO -0.01 -0.63 1.75 -0.65 -0.54 0.00 0.00 174.62 174.54 1nku h PRO 140 N 0.41 0.64 -0.09 3.99 0.11 -1.99 -0.29 132.00 134.77 1nku h PRO 140 Ca -0.48 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.37 1nku h PRO 140 Cb 1.22 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1nku h PRO 140 CO 0.61 0.43 -0.83 0.00 -0.21 0.00 0.00 178.00 177.99 1nku h ALA 141 N 1.68 0.22 -0.58 -0.75 0.00 -1.95 -2.73 119.26 115.16 1nku h ALA 141 Ca 0.60 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nku h ALA 141 Cb 1.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1nku h ALA 141 CO -0.43 0.63 0.34 0.77 0.00 0.00 0.00 179.25 180.56 1nku h SER 142 N 0.41 0.70 -0.39 0.00 0.02 -1.53 0.62 113.55 113.38 1nku h SER 142 Ca -0.08 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1nku h SER 142 Cb 1.48 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 1nku h SER 142 CO 0.17 0.57 0.11 -0.78 -1.14 0.00 0.00 176.83 175.76 1nku h ASP 143 N 0.78 0.58 -0.29 3.07 3.58 -1.16 -1.47 116.42 121.51 1nku h ASP 143 Ca 0.21 -0.21 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1nku h ASP 143 Cb 0.00 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1nku h ASP 143 CO -0.04 0.64 -0.41 0.00 -2.88 0.00 0.00 179.24 176.56 1nku h ALA 144 N 0.96 0.62 -0.84 -0.78 0.00 -1.17 -2.84 119.26 115.22 1nku h ALA 144 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nku h ALA 144 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1nku h ALA 144 CO -0.00 0.67 0.53 1.25 0.00 0.00 0.00 179.25 181.70 1nku h LEU 145 N 0.69 0.98 -0.90 0.00 6.46 0.42 -1.70 115.31 121.26 1nku h LEU 145 Ca 0.05 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1nku h LEU 145 Cb 0.99 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1nku h LEU 145 CO 0.09 0.73 0.18 0.77 -0.62 0.00 0.00 178.44 179.60 1nku h SER 146 N 1.14 0.92 -0.48 1.25 4.64 -1.17 -1.80 113.55 118.05 1nku h SER 146 Ca 0.30 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1nku h SER 146 Cb -0.09 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.73 1nku h SER 146 CO -0.06 0.88 0.12 0.11 -0.87 0.00 0.00 176.83 177.00 1nku h LYS 147 N 0.95 0.83 0.10 4.77 1.57 -1.13 0.27 116.57 123.92 1nku h LYS 147 Ca 0.21 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nku h LYS 147 Cb 0.30 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1nku h LYS 147 CO -0.00 0.76 -0.05 0.00 -0.57 0.00 0.00 179.45 179.59 1nku h ALA 148 N 1.33 -0.13 -0.51 3.86 0.00 -0.73 -1.28 119.26 121.80 1nku h ALA 148 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1nku h ALA 148 Cb 0.31 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1nku h ALA 148 CO 0.00 -0.41 0.14 -0.07 0.00 0.00 0.00 179.25 178.92 1nku h LEU 149 N -0.46 0.71 -0.63 0.00 3.38 -1.19 -2.19 115.31 114.93 1nku h LEU 149 Ca -0.01 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1nku h LEU 149 Cb 0.38 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1nku h LEU 149 CO 0.02 0.69 0.41 0.50 0.09 0.00 0.00 178.44 180.15 1nku h LYS 150 N 0.75 0.79 -0.80 1.13 3.64 -0.27 -1.43 116.57 120.38 1nku h LYS 150 Ca 0.17 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nku h LYS 150 Cb 0.25 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1nku h LYS 150 CO -0.01 0.52 0.48 -0.22 -2.27 0.00 0.00 179.45 177.96 1nku h LYS 151 N 0.82 1.09 0.00 1.90 3.64 -0.63 0.08 116.57 123.45 1nku h LYS 151 Ca 0.24 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1nku h LYS 151 Cb -0.05 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1nku h LYS 151 CO -0.07 0.76 -0.01 0.00 -2.27 0.00 0.00 179.45 177.86 1nku h ARG 152 N 1.10 0.00 0.00 1.90 -0.00 -0.80 -3.45 114.38 113.13 1nku h ARG 152 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.77 1nku h ARG 152 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.93 1nku h ARG 152 CO -0.05 0.01 0.00 0.41 0.00 0.00 0.00 179.97 180.33 1nku n GLY 153 N -0.67 1.84 3.77 0.04 0.00 0.01 -4.89 105.19 105.29 1nku n GLY 153 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 3.61 0.53 1.61 0.08 -0.90 -4.84 117.98 116.07 1nku s PHE 154 Ca 0.00 0.93 0.01 0.00 0.12 0.00 0.00 56.93 57.99 1nku s PHE 154 Cb 0.00 -2.44 0.10 0.00 -0.57 0.00 0.00 43.02 40.12 1nku s PHE 154 CO 0.00 0.38 0.72 1.63 -0.10 0.00 0.00 175.22 177.85 1nku n LYS 155 N 2.85 0.18 -4.40 0.44 5.02 -1.26 -4.37 118.16 116.63 1nku n LYS 155 Ca -0.10 -2.08 -0.39 0.00 -2.02 0.00 0.00 58.31 53.72 1nku n LYS 155 Cb 0.52 -0.44 -0.06 0.00 -0.02 0.00 0.00 35.03 35.02 1nku n LYS 155 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1nku n PHE 156 N -2.39 -1.37 -1.13 2.13 -1.74 -1.26 -4.77 117.46 106.93 1nku n PHE 156 Ca 0.12 0.72 -0.03 0.00 -0.56 0.00 0.00 57.45 57.70 1nku n PHE 156 Cb 0.44 -2.39 0.27 0.00 1.52 0.00 0.00 39.48 39.32 1nku n PHE 156 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 1nku n VAL 157 N -4.24 2.70 -1.14 1.97 3.14 -1.26 -4.67 118.33 114.83 1nku n VAL 157 Ca 0.03 -1.95 -0.35 0.00 -2.96 0.00 0.00 64.34 59.10 1nku n VAL 157 Cb 0.51 -0.33 0.08 0.00 -1.06 0.00 0.00 33.84 33.04 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nku n GLY 158 N -0.50 -1.58 0.39 7.55 0.00 -1.26 -4.59 105.19 105.19 1nku n GLY 158 Ca 0.35 -0.48 0.18 0.00 0.00 0.00 0.00 46.02 46.07 1nku n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku h THR 159 N -0.69 0.75 -0.46 2.61 1.03 -1.93 -0.06 112.91 114.15 1nku h THR 159 Ca -0.45 -0.08 -0.03 0.00 -0.01 0.00 0.00 66.41 65.84 1nku h THR 159 Cb 1.33 0.50 -0.02 0.00 -1.07 0.00 0.00 68.15 68.89 1nku h THR 159 CO 0.41 0.04 0.16 0.74 -0.01 0.00 0.00 175.52 176.86 1nku h THR 160 N 0.23 1.22 -0.58 0.00 2.02 -1.87 -0.31 112.91 113.62 1nku h THR 160 Ca 0.34 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1nku h THR 160 Cb 0.99 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1nku h THR 160 CO -0.07 0.26 0.22 0.40 0.37 0.00 0.00 175.52 176.69 1nku h ILE 161 N 0.60 1.23 -0.64 3.11 5.03 -1.33 -1.78 117.51 123.73 1nku h ILE 161 Ca 0.15 -0.73 -0.05 0.00 -0.12 0.00 0.00 64.86 64.10 1nku h ILE 161 Cb 0.24 0.63 -0.03 0.00 -3.03 0.00 0.00 36.82 34.63 1nku h ILE 161 CO -0.01 0.28 0.19 0.00 -0.68 0.00 0.00 178.15 177.93 1nku h TYR 163 N 0.93 0.76 -0.81 0.00 3.20 -0.73 -0.75 116.97 119.58 1nku h TYR 163 Ca 0.21 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1nku h TYR 163 Cb 0.31 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1nku h TYR 163 CO 0.02 0.52 0.53 1.03 -1.64 0.00 0.00 178.16 178.62 1nku h SER 164 N 0.78 0.91 -0.80 -2.11 0.87 -1.04 -1.71 113.55 110.44 1nku h SER 164 Ca 0.21 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1nku h SER 164 Cb -0.02 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 1nku h SER 164 CO -0.04 0.65 0.48 0.15 -0.53 0.00 0.00 176.83 177.54 1nku h PHE 165 N 1.07 1.06 -0.76 2.24 3.57 -0.67 -1.98 116.94 121.48 1nku h PHE 165 Ca 0.30 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.82 1nku h PHE 165 Cb -0.09 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.26 1nku h PHE 165 CO -0.02 0.71 0.50 1.98 -2.23 0.00 0.00 178.31 179.25 1nku h MET 166 N 1.10 0.95 -0.79 1.11 4.05 -0.27 0.18 114.93 121.26 1nku h MET 166 Ca 0.29 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.62 1nku h MET 166 Cb -0.04 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.51 1nku h MET 166 CO -0.05 0.63 0.39 1.96 0.23 0.00 0.00 176.91 180.06 1nku h GLN 167 N 0.98 1.13 0.06 0.39 1.08 -0.82 -1.83 115.11 116.09 1nku h GLN 167 Ca 0.29 -0.16 -0.21 0.00 -1.45 0.00 0.00 58.65 57.12 1nku h GLN 167 Cb -0.03 -0.21 0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1nku h GLN 167 CO -0.07 0.87 -0.84 0.00 -0.95 0.00 0.00 178.83 177.84 1nku h ALA 168 N 1.20 0.02 -0.65 3.87 0.00 -1.09 -2.34 119.26 120.28 1nku h ALA 168 Ca 0.27 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1nku h ALA 168 Cb 0.10 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1nku h ALA 168 CO -0.04 0.47 0.43 0.00 0.00 0.00 0.00 179.25 180.11 1nku n GLY 170 N -1.46 0.75 0.36 0.00 0.00 -0.70 -0.88 105.19 103.26 1nku n GLY 170 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.45 -9.05 0.99 3.38 -1.88 -3.40 115.31 105.81 1nku h LEU 171 Ca 0.00 0.01 -0.69 0.00 0.09 0.00 0.00 57.88 57.29 1nku h LEU 171 Cb 0.00 -0.08 -0.20 0.00 0.09 0.00 0.00 40.66 40.47 1nku h LEU 171 CO 0.00 0.27 -0.71 0.68 0.09 0.00 0.00 178.44 178.76 1nku s VAL 172 N -5.47 3.53 -0.53 1.22 -7.23 -1.26 -2.14 120.40 108.51 1nku s VAL 172 Ca -0.08 -0.55 -0.18 0.00 -1.81 0.00 0.00 61.98 59.37 1nku s VAL 172 Cb 0.20 -2.43 0.09 0.00 0.56 0.00 0.00 36.38 34.80 1nku s VAL 172 CO 0.76 0.60 0.58 0.20 -0.31 0.00 0.00 175.10 176.92 1nku s ASN 173 N -0.79 6.19 0.44 4.85 0.02 -0.45 -4.94 114.94 120.27 1nku s ASN 173 Ca 0.12 -1.34 0.00 0.00 -1.02 0.00 0.00 52.86 50.62 1nku s ASN 173 Cb -0.11 -2.26 -0.00 0.00 0.02 0.00 0.00 41.25 38.90 1nku s ASN 173 CO 0.01 -0.91 0.01 -0.67 0.02 0.00 0.00 177.10 175.57 1nku n ASP 174 N 5.84 3.05 0.00 -1.22 2.03 -1.26 -2.76 116.55 122.23 1nku n ASP 174 Ca -0.10 -2.97 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1nku n ASP 174 Cb 0.43 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 1nku n ASP 174 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1nku n HIS 175 N -1.09 0.00 -1.35 -0.67 8.25 -1.26 -5.01 115.22 114.09 1nku n HIS 175 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1nku n HIS 175 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1nku n HIS 175 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1nku n VAL 176 N 0.00 0.00 -1.73 1.59 0.24 -1.26 -3.39 118.33 113.78 1nku n VAL 176 Ca 0.00 0.00 -0.65 0.00 -2.04 0.00 0.00 64.34 61.65 1nku n VAL 176 Cb 0.00 -0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 31.34 1nku n VAL 176 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1nku n VAL 177 N 1.75 0.07 0.00 3.34 3.14 -0.95 -0.78 118.33 124.90 1nku n VAL 177 Ca 0.00 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1nku n VAL 177 Cb 0.00 -0.66 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 1nku n VAL 177 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nku n GLY 178 N 3.93 1.08 3.55 7.55 0.00 -1.22 -4.93 105.19 115.16 1nku n GLY 178 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 1nku n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku n TYR 182 N 0.00 2.79 0.74 0.00 9.36 -1.24 -4.89 117.16 123.91 1nku n TYR 182 Ca 0.00 -4.17 0.13 0.00 3.32 0.00 0.00 57.90 57.18 1nku n TYR 182 Cb 0.00 -0.52 0.41 0.00 -0.63 0.00 0.00 39.34 38.61 1nku n TYR 182 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1nku n PRO 183 N 1.90 0.18 -1.05 2.98 -0.04 -1.26 -3.38 135.00 134.33 1nku n PRO 183 Ca 0.22 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1nku n PRO 183 Cb 0.37 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1nku n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nku n GLY 184 N 1.37 0.57 3.58 0.55 0.00 -1.26 -3.76 105.19 106.25 1nku n GLY 184 Ca 0.06 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 1.59 -4.57 -3.61 1.61 2.85 -1.26 -4.95 115.26 106.91 1nku n ASN 185 Ca 0.00 -0.61 -0.27 0.00 -0.11 0.00 0.00 54.58 53.59 1nku n ASN 185 Cb 0.13 -4.89 -0.11 0.00 1.24 0.00 0.00 39.78 36.15 1nku n ASN 185 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1nku n LYS 186 N -4.67 0.94 0.00 1.20 4.76 -1.25 -5.30 118.16 113.85 1nku n LYS 186 Ca -0.10 -3.77 0.01 0.00 -2.87 0.00 0.00 58.31 51.58 1nku n LYS 186 Cb 0.60 -1.94 0.07 0.00 -1.84 0.00 0.00 35.03 31.91 1nku n LYS 186 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73