#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nku s GLU 2 N 0.00 2.94 0.33 2.12 -1.05 -1.26 -5.13 118.70 116.64 1nku s GLU 2 Ca 0.00 -1.10 0.07 0.00 -0.15 0.00 0.00 54.97 53.79 1nku s GLU 2 Cb 0.00 -2.60 -0.03 0.00 -0.44 0.00 0.00 34.13 31.06 1nku s GLU 2 CO 0.00 0.26 0.28 -0.98 0.95 0.00 0.00 175.26 175.77 1nku s ARG 3 N -3.95 1.75 0.74 -4.83 1.70 -1.26 -4.52 118.95 108.58 1nku s ARG 3 Ca 0.37 -2.00 -0.15 0.00 -0.47 0.00 0.00 55.73 53.48 1nku s ARG 3 Cb -0.07 0.33 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 1nku s ARG 3 CO 0.27 -0.65 0.89 0.00 -1.08 0.00 0.00 175.30 174.73 1nku n GLY 5 N 1.15 0.24 0.24 0.00 0.00 -1.26 -4.40 105.19 101.16 1nku n GLY 5 Ca 0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 1nku n GLY 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1nku h TRP 6 N 2.88 0.63 -2.86 1.61 4.06 -1.90 -3.43 115.95 116.93 1nku h TRP 6 Ca 0.00 0.02 -0.45 0.00 2.06 0.00 0.00 58.89 60.52 1nku h TRP 6 Cb 0.79 -0.19 -0.14 0.00 -1.00 0.00 0.00 29.16 28.61 1nku h TRP 6 CO 0.00 0.31 -0.72 0.14 -3.56 0.00 0.00 178.44 174.61 1nku s VAL 7 N -6.11 1.66 0.34 1.49 -7.23 -1.26 -5.06 120.40 104.24 1nku s VAL 7 Ca -0.13 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 57.86 1nku s VAL 7 Cb 0.15 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1nku s VAL 7 CO 0.75 -0.52 0.00 -0.24 -0.31 0.00 0.00 175.10 174.78 1nku n SER 8 N -0.42 -1.99 -1.47 4.85 2.88 -1.26 -4.89 113.62 111.32 1nku n SER 8 Ca -0.07 0.63 -0.06 0.00 -1.33 0.00 0.00 58.87 58.04 1nku n SER 8 Cb 0.61 1.98 0.15 0.00 -0.75 0.00 0.00 64.21 66.20 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 -3.36 2.27 -3.91 -1.46 6.02 -1.26 -4.62 117.38 111.06 1nku n GLN 9 Ca 0.00 -1.61 -0.28 0.00 -0.01 0.00 0.00 57.00 55.09 1nku n GLN 9 Cb 0.00 -1.74 -0.12 0.00 1.02 0.00 0.00 30.24 29.39 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 -0.29 4.68 0.33 1.08 1.11 -1.26 -4.94 116.67 117.37 1nku s ASP 10 Ca 0.29 -3.65 0.03 0.00 0.18 0.00 0.00 52.55 49.40 1nku s ASP 10 Cb 0.24 -1.62 0.63 0.00 1.07 0.00 0.00 42.92 43.24 1nku s ASP 10 CO 0.07 -0.12 1.92 -0.65 1.18 0.00 0.00 175.17 177.57 1nku h PRO 11 N 5.65 0.87 -0.54 8.23 0.11 -1.99 -0.06 132.00 144.28 1nku h PRO 11 Ca 0.09 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1nku h PRO 11 Cb 0.79 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1nku h PRO 11 CO 0.71 0.58 0.16 1.25 -0.21 0.00 0.00 178.00 180.49 1nku h LEU 12 N 0.90 0.80 -0.18 2.35 6.46 -1.99 0.10 115.31 123.75 1nku h LEU 12 Ca 0.38 -0.21 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1nku h LEU 12 Cb 0.29 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1nku h LEU 12 CO -0.14 0.80 -0.05 0.22 -0.62 0.00 0.00 178.44 178.64 1nku h TYR 13 N 0.76 0.40 -0.68 1.25 5.03 -1.74 -2.75 116.97 119.24 1nku h TYR 13 Ca 0.17 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1nku h TYR 13 Cb 0.29 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.44 1nku h TYR 13 CO 0.02 0.63 0.38 0.82 -1.32 0.00 0.00 178.16 178.68 1nku h ILE 14 N 0.06 1.20 -0.52 1.81 2.04 -0.86 0.40 117.51 121.64 1nku h ILE 14 Ca 0.04 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1nku h ILE 14 Cb 0.50 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1nku h ILE 14 CO 0.02 0.23 0.34 0.00 0.00 0.00 0.00 178.15 178.74 1nku h ALA 15 N 1.47 0.66 -0.42 1.87 0.00 -0.65 -1.55 119.26 120.64 1nku h ALA 15 Ca 0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1nku h ALA 15 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1nku h ALA 15 CO -0.04 0.11 -0.17 -0.92 0.00 0.00 0.00 179.25 178.23 1nku h TYR 16 N 0.70 0.88 -0.27 0.00 3.20 -1.10 -1.44 116.97 118.96 1nku h TYR 16 Ca 0.19 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1nku h TYR 16 Cb -0.07 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 1nku h TYR 16 CO -0.04 0.90 -0.04 1.25 -1.64 0.00 0.00 178.16 178.59 1nku h HIS 17 N 0.70 -0.09 -0.36 -3.82 2.76 -0.07 -1.37 115.15 112.91 1nku h HIS 17 Ca 0.11 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.14 1nku h HIS 17 Cb 0.67 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1nku h HIS 17 CO 0.03 -0.09 -0.41 -0.44 -1.30 0.00 0.00 177.93 175.73 1nku h ASP 18 N 0.03 0.96 -0.99 3.26 3.32 -1.18 -3.12 116.42 118.69 1nku h ASP 18 Ca 0.13 -0.45 0.09 0.00 0.02 0.00 0.00 57.03 56.82 1nku h ASP 18 Cb 0.19 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.39 1nku h ASP 18 CO -0.25 1.24 0.64 0.78 -1.72 0.00 0.00 179.24 179.93 1nku h ASN 19 N 0.73 0.97 0.00 6.45 -0.26 -0.68 -3.46 115.58 119.32 1nku h ASN 19 Ca 0.05 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1nku h ASN 19 Cb 1.00 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 1nku h ASN 19 CO 0.10 0.57 0.00 -1.84 -1.06 0.00 0.00 177.43 175.20 1nku n GLU 20 N -4.55 0.00 -2.81 0.81 0.28 -0.57 -5.09 120.64 108.71 1nku n GLU 20 Ca 0.17 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.14 1nku n GLU 20 Cb 0.27 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.11 1nku n GLU 20 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 1nku n TRP 21 N 0.00 -2.70 0.00 -1.84 -0.00 -1.25 -4.48 117.44 107.16 1nku n TRP 21 Ca 0.00 1.52 0.00 0.00 -0.00 0.00 0.00 57.50 59.02 1nku n TRP 21 Cb 0.00 -2.79 0.00 0.00 -0.00 0.00 0.00 31.31 28.52 1nku n TRP 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1nku n GLY 22 N 1.88 1.02 3.39 5.87 0.00 -1.02 -4.98 105.19 111.35 1nku n GLY 22 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1nku n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nku s VAL 23 N -2.00 5.05 -0.08 1.61 1.01 -1.25 -4.72 120.40 120.01 1nku s VAL 23 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 61.98 60.64 1nku s VAL 23 Cb 0.00 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 1nku s VAL 23 CO 0.00 -0.46 1.70 -2.65 0.00 0.00 0.00 175.10 173.69 1nku n PRO 24 N 5.13 1.67 -4.84 2.72 -0.02 -1.23 -4.09 135.00 134.35 1nku n PRO 24 Ca -0.12 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.65 1nku n PRO 24 Cb 0.45 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 1nku n PRO 24 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1nku s GLU 25 N 2.78 2.31 0.00 -0.52 2.56 -1.23 -4.97 118.70 119.63 1nku s GLU 25 Ca 0.91 -0.82 0.19 0.00 0.00 0.00 0.00 54.97 55.24 1nku s GLU 25 Cb -0.86 -2.28 0.27 0.00 2.00 0.00 0.00 34.13 33.27 1nku s GLU 25 CO 0.53 0.59 1.21 0.25 -0.56 0.00 0.00 175.26 177.28 1nku n THR 26 N 2.02 0.31 -2.63 -1.70 -2.24 -1.26 -4.91 114.28 103.88 1nku n THR 26 Ca -0.17 -0.66 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 1nku n THR 26 Cb 0.52 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 1nku n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nku s ASP 27 N -1.42 6.92 0.37 3.42 1.01 -1.26 -4.90 116.67 120.82 1nku s ASP 27 Ca 0.28 1.06 0.05 0.00 0.71 0.00 0.00 52.55 54.65 1nku s ASP 27 Cb 0.18 -2.54 0.74 0.00 1.01 0.00 0.00 42.92 42.30 1nku s ASP 27 CO 0.25 -0.89 2.01 0.28 0.21 0.00 0.00 175.17 177.03 1nku h SER 28 N 8.14 0.63 -0.66 0.27 0.02 -1.98 -2.17 113.55 117.80 1nku h SER 28 Ca -0.21 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1nku h SER 28 Cb 1.06 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 1nku h SER 28 CO 1.03 0.44 0.42 0.11 -1.14 0.00 0.00 176.83 177.70 1nku h LYS 29 N 0.73 0.83 -0.16 3.45 1.57 -1.98 0.26 116.57 121.26 1nku h LYS 29 Ca 0.23 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1nku h LYS 29 Cb 0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1nku h LYS 29 CO -0.06 0.55 0.05 -0.22 -0.57 0.00 0.00 179.45 179.19 1nku h LYS 30 N 0.85 0.26 -0.69 3.15 3.64 -1.80 -0.65 116.57 121.33 1nku h LYS 30 Ca 0.25 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1nku h LYS 30 Cb -0.05 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1nku h LYS 30 CO -0.08 0.39 0.20 -0.07 -2.27 0.00 0.00 179.45 177.62 1nku h LEU 31 N 0.08 1.01 -0.30 5.20 4.07 -1.23 0.84 115.31 124.98 1nku h LEU 31 Ca 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1nku h LEU 31 Cb 0.24 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1nku h LEU 31 CO -0.00 0.95 0.14 0.15 -1.08 0.00 0.00 178.44 178.60 1nku h PHE 32 N 1.03 0.44 -0.07 1.13 3.57 -0.26 -2.19 116.94 120.59 1nku h PHE 32 Ca 0.22 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1nku h PHE 32 Cb 0.32 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1nku h PHE 32 CO 0.02 0.40 -0.41 0.93 -2.23 0.00 0.00 178.31 177.02 1nku h GLU 33 N 0.35 0.16 0.23 1.11 5.08 -0.85 -2.87 114.58 117.80 1nku h GLU 33 Ca 0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1nku h GLU 33 Cb 0.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1nku h GLU 33 CO -0.01 0.55 -0.11 1.98 -1.00 0.00 0.00 179.01 180.42 1nku h MET 34 N 0.14 -0.30 -0.21 2.33 4.05 -0.37 -1.09 114.93 119.47 1nku h MET 34 Ca 0.01 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1nku h MET 34 Cb 0.79 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1nku h MET 34 CO 0.06 -0.10 -0.01 0.97 0.23 0.00 0.00 176.91 178.06 1nku h ILE 35 N -0.45 1.14 -0.27 1.77 6.09 -1.40 -0.21 117.51 124.17 1nku h ILE 35 Ca -0.03 -0.54 -0.05 0.00 -1.37 0.00 0.00 64.86 62.87 1nku h ILE 35 Cb 0.34 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 1nku h ILE 35 CO 0.05 0.18 -0.03 0.00 -3.07 0.00 0.00 178.15 175.29 1nku h LEU 37 N 0.26 0.89 -1.28 0.00 3.38 -0.77 -3.00 115.31 114.79 1nku h LEU 37 Ca 0.07 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1nku h LEU 37 Cb 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1nku h LEU 37 CO 0.02 1.15 0.24 -0.33 0.09 0.00 0.00 178.44 179.60 1nku h GLU 38 N 0.70 0.73 -0.77 1.13 4.39 -0.97 -1.38 114.58 118.40 1nku h GLU 38 Ca 0.07 -0.09 0.12 0.00 0.34 0.00 0.00 59.36 59.79 1nku h GLU 38 Cb 0.91 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 1nku h GLU 38 CO 0.08 0.58 0.51 0.78 -1.16 0.00 0.00 179.01 179.80 1nku h GLY 39 N 0.84 0.91 1.75 -3.84 0.00 -1.26 0.31 103.07 101.78 1nku h GLY 39 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1nku h GLY 39 CO -0.02 0.12 0.03 1.46 0.00 0.00 0.00 176.54 178.13 1nku h GLN 40 N 0.59 0.33 -0.19 4.80 4.20 -1.31 -1.84 115.11 121.68 1nku h GLN 40 Ca 0.37 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 59.09 1nku h GLN 40 Cb 0.62 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1nku h GLN 40 CO -0.14 0.33 0.34 -0.56 -0.67 0.00 0.00 178.83 178.13 1nku h GLN 41 N 0.32 0.00 -5.88 1.46 -0.00 -0.36 -3.38 115.11 107.28 1nku h GLN 41 Ca 0.08 0.00 -0.72 0.00 -0.00 0.00 0.00 58.65 58.01 1nku h GLN 41 Cb 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.61 1nku h GLN 41 CO 0.00 0.00 1.39 0.00 -0.00 0.00 0.00 178.83 180.22 1nku n ALA 42 N -2.15 0.35 0.00 0.06 0.00 -0.69 0.33 120.51 118.40 1nku n ALA 42 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1nku n ALA 42 Cb 0.45 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 7.25 2.64 3.73 0.00 0.00 -1.26 -4.97 105.19 112.58 1nku n GLY 43 Ca 0.54 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 46.23 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 3.70 0.60 0.99 1.43 1.00 -5.10 118.68 121.29 1nku s LEU 44 Ca 0.00 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 1nku s LEU 44 Cb 0.00 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1nku s LEU 44 CO 0.00 0.26 1.03 -0.44 0.23 0.00 0.00 176.35 177.43 1nku s SER 45 N -1.77 6.10 0.50 2.29 0.01 -1.26 -4.33 113.70 115.24 1nku s SER 45 Ca 0.22 1.58 0.22 0.00 1.31 0.00 0.00 55.95 59.28 1nku s SER 45 Cb -0.12 -2.50 1.30 0.00 0.21 0.00 0.00 66.02 64.91 1nku s SER 45 CO 0.14 -0.95 1.99 -0.25 0.41 0.00 0.00 173.24 174.57 1nku h TRP 46 N 0.13 0.12 -0.87 2.43 2.91 -1.98 -0.97 115.95 117.71 1nku h TRP 46 Ca -0.45 0.00 0.14 0.00 1.13 0.00 0.00 58.89 59.71 1nku h TRP 46 Cb 1.20 -0.04 -0.09 0.00 -0.51 0.00 0.00 29.16 29.72 1nku h TRP 46 CO 0.63 0.05 0.48 0.97 -1.03 0.00 0.00 178.44 179.54 1nku h ILE 47 N 0.11 0.78 -0.18 2.65 -0.00 -2.02 -0.15 117.51 118.71 1nku h ILE 47 Ca 0.26 -0.24 -0.16 0.00 -0.00 0.00 0.00 64.86 64.72 1nku h ILE 47 Cb 0.89 0.01 -0.01 0.00 -0.00 0.00 0.00 36.82 37.72 1nku h ILE 47 CO -0.03 0.13 -0.55 0.74 -0.00 0.00 0.00 178.15 178.44 1nku h THR 48 N 0.70 1.33 -0.93 2.19 2.02 -1.54 -3.19 112.91 113.49 1nku h THR 48 Ca 0.46 -1.81 0.01 0.00 0.77 0.00 0.00 66.41 65.85 1nku h THR 48 Cb 0.60 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 1nku h THR 48 CO -0.33 0.56 0.62 0.58 0.37 0.00 0.00 175.52 177.32 1nku h VAL 49 N 0.41 1.23 -0.38 3.16 2.07 -0.95 -2.61 116.25 119.17 1nku h VAL 49 Ca 0.01 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1nku h VAL 49 Cb 1.09 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1nku h VAL 49 CO 0.10 0.23 0.04 -0.07 0.02 0.00 0.00 177.57 177.89 1nku h LEU 50 N 1.25 -0.08 -1.14 2.57 3.38 -1.41 0.96 115.31 120.84 1nku h LEU 50 Ca 0.35 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.45 1nku h LEU 50 Cb -0.12 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1nku h LEU 50 CO -0.08 -0.00 0.59 0.11 0.09 0.00 0.00 178.44 179.14 1nku h LYS 51 N 0.15 1.03 0.00 1.13 1.57 -1.60 0.26 116.57 119.11 1nku h LYS 51 Ca 0.18 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1nku h LYS 51 Cb 0.24 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1nku h LYS 51 CO -0.28 0.68 -0.22 0.87 -0.57 0.00 0.00 179.45 179.93 1nku h LYS 52 N 1.06 0.00 -0.24 3.15 6.56 -0.56 -2.99 116.57 123.55 1nku h LYS 52 Ca 0.38 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 60.01 1nku h LYS 52 Cb 0.13 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 1nku h LYS 52 CO -0.13 0.22 -0.02 -0.09 -2.06 0.00 0.00 179.45 177.38 1nku h ARG 53 N 0.00 0.05 -0.12 3.15 2.43 0.45 1.34 114.38 121.68 1nku h ARG 53 Ca -0.00 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1nku h ARG 53 Cb 0.87 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1nku h ARG 53 CO 0.03 0.03 -0.45 1.05 -1.51 0.00 0.00 179.97 179.12 1nku h GLU 54 N 0.05 0.52 -0.63 0.20 4.11 -1.51 -2.88 114.58 114.44 1nku h GLU 54 Ca 0.12 -0.40 -0.07 0.00 0.07 0.00 0.00 59.36 59.08 1nku h GLU 54 Cb 0.16 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1nku h GLU 54 CO -0.21 1.02 0.11 -0.91 0.07 0.00 0.00 179.01 179.09 1nku h ASN 55 N 0.12 0.97 -0.66 3.06 2.35 -1.34 -2.68 115.58 117.41 1nku h ASN 55 Ca -0.02 -0.22 0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1nku h ASN 55 Cb 1.08 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 39.15 1nku h ASN 55 CO 0.09 0.96 0.37 0.22 -1.65 0.00 0.00 177.43 177.43 1nku h TYR 56 N 0.96 0.69 -0.30 1.19 3.20 0.18 -0.16 116.97 122.73 1nku h TYR 56 Ca 0.19 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1nku h TYR 56 Cb 0.41 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1nku h TYR 56 CO 0.03 0.35 0.11 0.07 -1.64 0.00 0.00 178.16 177.07 1nku h ARG 57 N 0.70 0.42 -0.92 1.82 0.11 -1.26 0.17 114.38 115.42 1nku h ARG 57 Ca 0.29 -0.05 0.03 0.00 0.10 0.00 0.00 59.98 60.35 1nku h ARG 57 Cb 0.14 -0.08 -0.05 0.00 1.11 0.00 0.00 29.97 31.09 1nku h ARG 57 CO -0.16 0.37 0.61 0.00 0.10 0.00 0.00 179.97 180.88 1nku h ALA 58 N 1.70 1.40 0.09 0.08 0.00 -0.77 0.38 119.26 122.14 1nku h ALA 58 Ca 0.10 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 1nku h ALA 58 Cb 0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1nku h ALA 58 CO -0.01 0.52 -2.13 0.00 0.00 0.00 0.00 179.25 177.63 1nku n PHE 60 N -3.43 0.68 -0.28 0.00 3.01 0.52 -4.31 117.46 113.66 1nku n PHE 60 Ca -0.36 0.24 -0.01 0.00 1.01 0.00 0.00 57.45 58.33 1nku n PHE 60 Cb 1.03 -1.09 0.11 0.00 -0.01 0.00 0.00 39.48 39.52 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 0.89 -0.91 1.38 2.76 -0.35 0.31 115.15 119.22 1nku h HIS 61 Ca -0.33 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 1nku h HIS 61 Cb 1.96 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 30.59 1nku h HIS 61 CO 0.00 0.47 0.59 1.96 -1.30 0.00 0.00 177.93 179.64 1nku h GLN 62 N 0.89 1.22 -0.03 5.26 4.20 -1.76 -2.49 115.11 122.41 1nku h GLN 62 Ca 0.33 -0.09 -0.21 0.00 0.06 0.00 0.00 58.65 58.75 1nku h GLN 62 Cb 0.12 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1nku h GLN 62 CO -0.15 0.82 -0.86 0.74 -0.67 0.00 0.00 178.83 178.71 1nku h PHE 63 N 1.25 0.56 -1.39 2.96 -1.00 -1.51 -3.50 116.94 114.30 1nku h PHE 63 Ca 0.33 -0.29 0.13 0.00 2.81 0.00 0.00 57.97 60.95 1nku h PHE 63 Cb -0.11 -0.07 -0.07 0.00 3.61 0.00 0.00 35.95 39.31 1nku h PHE 63 CO -0.00 1.08 -0.50 -0.40 -1.61 0.00 0.00 178.31 176.88 1nku n ASP 64 N -3.77 -3.11 -0.04 2.17 5.75 0.10 -3.41 116.55 114.24 1nku n ASP 64 Ca -0.06 0.59 -0.01 0.00 -0.01 0.00 0.00 54.79 55.31 1nku n ASP 64 Cb 0.79 -1.92 0.28 0.00 -1.03 0.00 0.00 41.12 39.23 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1nku h PRO 65 N -0.51 0.62 -0.10 0.11 0.13 -1.90 -1.68 132.00 128.67 1nku h PRO 65 Ca -0.07 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1nku h PRO 65 Cb 0.53 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 1nku h PRO 65 CO 0.03 0.59 0.04 0.28 -0.23 0.00 0.00 178.00 178.71 1nku h VAL 66 N 0.60 1.13 -0.25 1.56 2.07 -1.97 -2.39 116.25 117.00 1nku h VAL 66 Ca 0.13 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1nku h VAL 66 Cb 0.28 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1nku h VAL 66 CO 0.00 0.12 -0.24 0.50 0.02 0.00 0.00 177.57 177.97 1nku h LYS 67 N 0.02 0.48 -0.72 1.57 3.64 -1.55 -2.61 116.57 117.39 1nku h LYS 67 Ca 0.03 -0.17 0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1nku h LYS 67 Cb 0.15 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1nku h LYS 67 CO -0.00 0.68 0.40 0.28 -2.27 0.00 0.00 179.45 178.54 1nku h VAL 68 N 0.43 0.92 0.00 2.00 2.07 -0.91 0.53 116.25 121.28 1nku h VAL 68 Ca 0.06 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1nku h VAL 68 Cb 0.65 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1nku h VAL 68 CO 0.05 0.13 -0.09 0.00 0.02 0.00 0.00 177.57 177.67 1nku h ALA 69 N 1.40 1.00 -0.67 1.67 0.00 -1.19 -2.67 119.26 118.81 1nku h ALA 69 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nku h ALA 69 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nku h ALA 69 CO -0.22 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1nku n ALA 70 N -2.14 2.47 -2.08 0.00 0.00 0.15 -4.83 120.51 114.08 1nku n ALA 70 Ca 0.01 -1.22 -0.27 0.00 0.00 0.00 0.00 53.44 51.97 1nku n ALA 70 Cb 0.38 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.19 2.92 0.33 0.00 -1.94 0.81 -5.01 119.30 115.22 1nku s MET 71 Ca 0.45 -0.02 0.08 0.00 -1.71 0.00 0.00 55.69 54.50 1nku s MET 71 Cb 0.24 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.77 1nku s MET 71 CO 0.30 -0.70 0.16 -0.65 -0.01 0.00 0.00 175.02 174.12 1nku s GLN 72 N -4.98 2.43 0.45 2.03 -0.21 -1.26 -5.00 119.66 113.13 1nku s GLN 72 Ca 0.54 -1.49 0.17 0.00 0.02 0.00 0.00 55.36 54.59 1nku s GLN 72 Cb -0.11 -2.23 1.12 0.00 1.00 0.00 0.00 33.01 32.79 1nku s GLN 72 CO 0.45 0.13 1.97 0.93 -2.12 0.00 0.00 175.29 176.65 1nku h GLU 73 N 1.52 0.31 -0.83 2.91 5.08 -2.01 0.63 114.58 122.18 1nku h GLU 73 Ca -0.44 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1nku h GLU 73 Cb 1.25 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1nku h GLU 73 CO 0.62 0.20 0.54 1.49 -1.00 0.00 0.00 179.01 180.87 1nku h GLU 74 N 0.32 0.78 -0.90 2.33 4.81 -2.01 0.21 114.58 120.12 1nku h GLU 74 Ca 0.29 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1nku h GLU 74 Cb 0.71 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 1nku h GLU 74 CO -0.07 0.52 0.59 -0.44 -0.73 0.00 0.00 179.01 178.88 1nku h ASP 75 N 0.81 1.00 -0.70 1.04 3.32 -1.25 -1.84 116.42 118.80 1nku h ASP 75 Ca 0.38 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 1nku h ASP 75 Cb 0.41 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1nku h ASP 75 CO -0.15 0.70 0.43 0.58 -1.72 0.00 0.00 179.24 179.08 1nku h VAL 76 N 1.17 1.20 -0.88 -1.35 2.07 -0.99 -2.13 116.25 115.34 1nku h VAL 76 Ca 0.35 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1nku h VAL 76 Cb -0.05 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 1nku h VAL 76 CO -0.09 0.20 0.58 -0.08 0.02 0.00 0.00 177.57 178.20 1nku h GLU 77 N 0.95 1.12 -0.40 1.57 4.81 -1.12 -0.66 114.58 120.85 1nku h GLU 77 Ca 0.25 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1nku h GLU 77 Cb -0.04 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.07 1nku h GLU 77 CO -0.05 0.74 0.22 -0.09 -0.73 0.00 0.00 179.01 179.10 1nku h ARG 78 N 1.15 0.56 -0.09 1.92 2.43 -1.06 -2.77 114.38 116.53 1nku h ARG 78 Ca 0.34 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1nku h ARG 78 Cb -0.06 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1nku h ARG 78 CO -0.09 0.46 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.20 1nku h LEU 79 N 0.52 0.29 -1.31 3.80 3.38 -1.15 -2.83 115.31 118.01 1nku h LEU 79 Ca 0.14 -0.16 0.17 0.00 0.09 0.00 0.00 57.88 58.12 1nku h LEU 79 Cb 0.06 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1nku h LEU 79 CO -0.02 0.80 0.59 0.58 0.09 0.00 0.00 178.44 180.47 1nku h VAL 80 N 0.20 0.78 0.05 1.22 2.07 -0.84 -2.87 116.25 116.86 1nku h VAL 80 Ca -0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1nku h VAL 80 Cb 1.05 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1nku h VAL 80 CO 0.09 0.11 -0.02 1.56 0.02 0.00 0.00 177.57 179.33 1nku h GLN 81 N 0.63 -0.07 -5.69 1.57 4.20 -1.46 -3.46 115.11 110.84 1nku h GLN 81 Ca 0.47 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.52 1nku h GLN 81 Cb 0.86 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.59 1nku h GLN 81 CO -0.22 -0.04 -0.49 -0.51 -0.67 0.00 0.00 178.83 176.90 1nku s ASP 82 N -4.91 6.35 0.00 1.46 1.01 -1.08 -4.85 116.67 114.65 1nku s ASP 82 Ca -0.01 0.43 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1nku s ASP 82 Cb 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1nku s ASP 82 CO 0.03 0.38 0.00 0.00 0.21 0.00 0.00 175.17 175.78 1nku n ALA 83 N 1.75 0.00 -0.98 5.23 0.00 -1.25 -4.20 120.51 121.05 1nku n ALA 83 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nku n ALA 83 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.07 0.59 3.56 0.00 0.00 -1.26 -4.90 105.19 102.10 1nku n GLY 84 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1nku n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nku s ILE 85 N -2.49 1.16 0.32 -0.61 -4.36 -1.26 -5.04 121.20 108.92 1nku s ILE 85 Ca 0.00 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.14 1nku s ILE 85 Cb 0.00 -2.58 -0.15 0.00 1.25 0.00 0.00 42.46 40.98 1nku s ILE 85 CO 0.00 0.00 0.58 -0.38 0.24 0.00 0.00 174.94 175.38 1nku n ILE 86 N -0.91 1.74 -4.10 8.37 5.41 -1.26 -4.95 119.36 123.66 1nku n ILE 86 Ca -0.07 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.88 1nku n ILE 86 Cb 0.66 -0.40 -0.07 0.00 -0.71 0.00 0.00 39.64 39.11 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 -1.32 2.66 0.00 0.38 0.52 -1.26 -5.02 118.95 114.91 1nku s ARG 87 Ca 0.62 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1nku s ARG 87 Cb -0.73 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.14 1nku s ARG 87 CO 0.58 0.55 0.00 0.72 0.02 0.00 0.00 175.30 177.17 1nku n HIS 88 N 0.53 0.00 -0.24 -0.53 8.25 -1.26 -4.93 115.22 117.04 1nku n HIS 88 Ca -0.10 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.56 1nku n HIS 88 Cb 0.52 0.00 0.53 0.00 1.12 0.00 0.00 29.99 32.16 1nku n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nku h ARG 89 N 0.00 0.35 -0.27 -0.41 3.08 -1.97 0.27 114.38 115.44 1nku h ARG 89 Ca 0.00 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 1nku h ARG 89 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1nku h ARG 89 CO 0.00 0.23 -0.56 0.78 -1.07 0.00 0.00 179.97 179.36 1nku h GLY 90 N 0.37 0.90 0.98 0.04 0.00 -1.99 -2.59 103.07 100.78 1nku h GLY 90 Ca 0.47 -1.06 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1nku h GLY 90 CO -0.16 0.95 0.14 1.70 0.00 0.00 0.00 176.54 179.18 1nku h LYS 91 N 0.63 0.31 -0.35 4.80 3.64 -0.86 -0.55 116.57 124.20 1nku h LYS 91 Ca 0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1nku h LYS 91 Cb 1.16 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1nku h LYS 91 CO 0.12 0.24 0.10 0.82 -2.27 0.00 0.00 179.45 178.46 1nku h ILE 92 N 0.30 1.21 -0.30 2.00 2.04 -1.36 -2.26 117.51 119.14 1nku h ILE 92 Ca 0.08 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1nku h ILE 92 Cb 0.00 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1nku h ILE 92 CO -0.02 0.24 0.18 1.56 0.00 0.00 0.00 178.15 180.11 1nku h GLN 93 N 0.41 0.40 -0.71 2.37 4.20 -1.27 -1.02 115.11 119.49 1nku h GLN 93 Ca 0.11 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1nku h GLN 93 Cb 0.26 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1nku h GLN 93 CO -0.00 0.29 0.37 0.00 -0.67 0.00 0.00 178.83 178.82 1nku h ALA 94 N 1.78 1.31 -0.47 3.87 0.00 -0.51 -1.49 119.26 123.75 1nku h ALA 94 Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nku h ALA 94 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1nku h ALA 94 CO -0.02 0.55 0.23 0.82 0.00 0.00 0.00 179.25 180.82 1nku h ILE 95 N 0.99 1.19 -0.68 0.00 1.08 -0.92 -2.17 117.51 117.00 1nku h ILE 95 Ca 0.25 -0.53 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 1nku h ILE 95 Cb 0.06 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 1nku h ILE 95 CO -0.04 0.21 0.32 0.40 -0.69 0.00 0.00 178.15 178.35 1nku h ILE 96 N 0.62 1.22 -0.40 -0.67 2.04 -1.19 -2.34 117.51 116.79 1nku h ILE 96 Ca 0.16 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1nku h ILE 96 Cb 0.12 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1nku h ILE 96 CO -0.02 0.26 0.21 1.23 0.00 0.00 0.00 178.15 179.83 1nku h GLY 97 N 1.03 0.61 1.02 5.37 0.00 -0.76 0.50 103.07 110.84 1nku h GLY 97 Ca 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1nku h GLY 97 CO -0.03 0.27 0.37 3.43 0.00 0.00 0.00 176.54 180.58 1nku h ASN 98 N 0.51 1.01 -0.35 0.19 -0.26 -1.06 0.19 115.58 115.81 1nku h ASN 98 Ca 0.14 -0.14 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 1nku h ASN 98 Cb 0.08 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 1nku h ASN 98 CO -0.02 0.86 -0.07 0.00 -1.06 0.00 0.00 177.43 177.15 1nku h ALA 99 N 1.19 0.48 -0.52 -0.83 0.00 -1.11 0.82 119.26 119.28 1nku h ALA 99 Ca 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nku h ALA 99 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1nku h ALA 99 CO -0.03 0.31 0.28 -0.09 0.00 0.00 0.00 179.25 179.72 1nku h ARG 100 N 0.45 0.72 -0.14 0.00 9.65 -0.58 0.18 114.38 124.66 1nku h ARG 100 Ca 0.09 -0.09 -0.21 0.00 -1.10 0.00 0.00 59.98 58.68 1nku h ARG 100 Cb 0.56 -0.14 0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1nku h ARG 100 CO 0.03 0.56 -0.73 0.00 2.80 0.00 0.00 179.97 182.64 1nku h ALA 101 N 1.12 0.28 -0.09 2.80 0.00 -0.82 -1.68 119.26 120.86 1nku h ALA 101 Ca 0.18 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1nku h ALA 101 Cb 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1nku h ALA 101 CO -0.03 0.62 0.05 -0.92 0.00 0.00 0.00 179.25 178.97 1nku h TYR 102 N 0.46 0.13 -0.59 0.00 5.03 0.92 0.30 116.97 123.21 1nku h TYR 102 Ca -0.05 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.16 1nku h TYR 102 Cb 1.36 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.58 1nku h TYR 102 CO 0.09 0.16 0.01 1.25 -1.32 0.00 0.00 178.16 178.35 1nku h LEU 103 N 0.06 1.02 -0.93 2.82 5.85 -0.71 -2.25 115.31 121.16 1nku h LEU 103 Ca 0.03 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1nku h LEU 103 Cb 0.08 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1nku h LEU 103 CO -0.01 1.07 0.56 -0.61 -0.34 0.00 0.00 178.44 179.12 1nku h GLN 104 N 0.93 1.26 -0.57 1.25 5.75 -1.05 -1.54 115.11 121.15 1nku h GLN 104 Ca 0.17 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1nku h GLN 104 Cb 0.54 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1nku h GLN 104 CO 0.03 0.89 0.24 1.98 -2.65 0.00 0.00 178.83 179.31 1nku h MET 105 N 1.28 0.85 0.00 1.69 4.05 -0.62 -1.91 114.93 120.28 1nku h MET 105 Ca 0.33 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1nku h MET 105 Cb -0.05 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1nku h MET 105 CO -0.06 0.73 -0.16 1.49 0.23 0.00 0.00 176.91 179.13 1nku h GLU 106 N 0.79 0.00 -0.73 0.39 4.81 -0.83 -1.46 114.58 117.54 1nku h GLU 106 Ca 0.19 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.61 1nku h GLU 106 Cb 0.19 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1nku h GLU 106 CO -0.02 0.16 0.51 0.37 -0.73 0.00 0.00 179.01 179.30 1nku h GLN 107 N 0.00 0.16 0.00 1.92 4.15 -0.45 1.17 115.11 122.06 1nku h GLN 107 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1nku h GLN 107 Cb 0.29 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1nku h GLN 107 CO 0.02 0.10 0.00 -0.97 -1.93 0.00 0.00 178.83 176.06 1nku h ASN 108 N 0.16 0.00 0.00 -0.69 -0.73 -1.31 -3.46 115.58 109.55 1nku h ASN 108 Ca 0.36 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.53 1nku h ASN 108 Cb 1.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.76 1nku h ASN 108 CO -0.06 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.61 1nku n GLY 109 N 0.82 0.70 3.15 1.57 0.00 0.40 -5.04 105.19 106.80 1nku n GLY 109 Ca 0.04 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.64 2.22 0.24 1.61 2.12 -1.25 -5.06 118.70 116.93 1nku s GLU 110 Ca 0.00 -1.53 -0.31 0.00 0.36 0.00 0.00 54.97 53.49 1nku s GLU 110 Cb 0.00 -3.39 -0.14 0.00 0.26 0.00 0.00 34.13 30.86 1nku s GLU 110 CO 0.00 -0.84 1.23 -2.30 -0.54 0.00 0.00 175.26 172.81 1nku n PRO 111 N 4.61 1.60 -0.15 4.30 -0.02 -1.26 -4.48 135.00 139.60 1nku n PRO 111 Ca -0.08 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1nku n PRO 111 Cb 0.43 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 3.29 0.71 -0.80 6.00 3.57 -1.95 -2.25 116.94 125.51 1nku h PHE 112 Ca -0.43 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 60.96 1nku h PHE 112 Cb 1.31 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1nku h PHE 112 CO 0.53 0.63 0.33 0.00 -2.23 0.00 0.00 178.31 177.57 1nku h ALA 113 N 1.00 1.04 -0.37 2.41 0.00 -1.90 -2.19 119.26 119.25 1nku h ALA 113 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nku h ALA 113 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nku h ALA 113 CO -0.01 0.65 0.05 0.22 0.00 0.00 0.00 179.25 180.16 1nku h ASP 114 N 1.16 0.52 0.03 0.00 3.58 -1.86 -2.59 116.42 117.26 1nku h ASP 114 Ca 0.27 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1nku h ASP 114 Cb 0.20 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1nku h ASP 114 CO -0.02 0.56 -0.01 0.15 -2.88 0.00 0.00 179.24 177.03 1nku h PHE 115 N 0.55 -0.04 -0.87 0.28 3.57 -0.80 -2.32 116.94 117.31 1nku h PHE 115 Ca 0.12 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1nku h PHE 115 Cb 0.28 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1nku h PHE 115 CO 0.01 0.03 0.47 -0.24 -2.23 0.00 0.00 178.31 176.36 1nku h VAL 116 N -0.10 1.26 -0.85 1.41 3.04 -1.34 -1.56 116.25 118.11 1nku h VAL 116 Ca -0.00 -0.64 0.10 0.00 -1.01 0.00 0.00 66.70 65.15 1nku h VAL 116 Cb 0.09 0.08 -0.06 0.00 -2.01 0.00 0.00 31.29 29.38 1nku h VAL 116 CO 0.01 0.29 0.55 -0.50 -1.01 0.00 0.00 177.57 176.91 1nku h TRP 117 N 1.22 0.86 -0.40 3.17 4.06 -1.17 0.16 115.95 123.85 1nku h TRP 117 Ca 0.31 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.25 1nku h TRP 117 Cb 0.04 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 27.90 1nku h TRP 117 CO 0.01 0.39 0.10 0.77 -3.56 0.00 0.00 178.44 176.15 1nku h SER 118 N 0.79 0.54 0.19 -3.49 0.02 -0.73 0.92 113.55 111.79 1nku h SER 118 Ca 0.40 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1nku h SER 118 Cb 0.47 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1nku h SER 118 CO -0.17 0.55 -0.29 -0.26 -1.14 0.00 0.00 176.83 175.52 1nku h PHE 119 N 0.58 0.18 -0.66 3.45 -1.00 -0.49 -2.53 116.94 116.48 1nku h PHE 119 Ca 0.13 -0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.75 1nku h PHE 119 Cb 0.22 -0.05 -0.08 0.00 3.61 0.00 0.00 35.95 39.65 1nku h PHE 119 CO 0.01 0.44 0.16 1.33 -1.61 0.00 0.00 178.31 178.64 1nku n VAL 120 N -4.15 2.86 -2.65 -0.55 0.24 -0.90 -4.87 118.33 108.31 1nku n VAL 120 Ca -0.01 -1.59 -0.22 0.00 -2.04 0.00 0.00 64.34 60.48 1nku n VAL 120 Cb 0.37 -0.33 0.01 0.00 -1.47 0.00 0.00 33.84 32.42 1nku n VAL 120 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nku n ASN 121 N 0.09 -6.03 0.00 -1.34 2.85 -0.95 -1.40 115.26 108.49 1nku n ASN 121 Ca 0.36 -0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1nku n ASN 121 Cb 1.30 -4.96 0.00 0.00 1.24 0.00 0.00 39.78 37.37 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1nku n HIS 122 N -4.22 0.00 -3.64 1.20 -0.00 0.32 -4.89 115.22 103.98 1nku n HIS 122 Ca -0.20 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.17 1nku n HIS 122 Cb 0.66 -1.13 -0.07 0.00 -0.00 0.00 0.00 29.99 29.44 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 -0.27 4.14 0.59 1.57 -0.21 -0.49 -5.05 119.66 119.94 1nku s GLN 123 Ca 0.00 -0.04 -0.16 0.00 0.02 0.00 0.00 55.36 55.18 1nku s GLN 123 Cb 0.00 -3.39 -0.04 0.00 1.00 0.00 0.00 33.01 30.58 1nku s GLN 123 CO 0.00 0.33 1.05 -1.25 -2.12 0.00 0.00 175.29 173.30 1nku s PRO 124 N 0.23 3.37 0.04 2.91 0.04 -1.26 -4.81 135.00 135.51 1nku s PRO 124 Ca 0.13 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1nku s PRO 124 Cb -0.12 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1nku s PRO 124 CO 0.02 -0.77 0.23 -0.65 0.04 0.00 0.00 177.00 175.87 1nku s GLN 125 N -4.09 3.49 0.05 4.56 -0.21 -0.74 -5.02 119.66 117.71 1nku s GLN 125 Ca 0.63 -0.28 0.05 0.00 0.02 0.00 0.00 55.36 55.77 1nku s GLN 125 Cb -0.15 -3.04 -0.02 0.00 1.00 0.00 0.00 33.01 30.79 1nku s GLN 125 CO 0.37 0.62 -0.13 -1.64 -2.12 0.00 0.00 175.29 172.39 1nku s MET 126 N -2.18 0.84 0.38 2.91 -1.94 -1.26 -1.43 119.30 116.62 1nku s MET 126 Ca 0.32 -0.82 -0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1nku s MET 126 Cb -0.13 -0.83 -0.06 0.00 2.01 0.00 0.00 34.83 35.82 1nku s MET 126 CO 0.22 0.20 0.73 -0.08 -0.01 0.00 0.00 175.02 176.07 1nku s THR 127 N -1.03 4.83 -0.38 2.05 -1.32 -0.77 -4.89 115.64 114.13 1nku s THR 127 Ca -0.01 0.51 0.11 0.00 -1.21 0.00 0.00 61.69 61.09 1nku s THR 127 Cb -0.09 -3.73 0.40 0.00 -1.51 0.00 0.00 72.50 67.57 1nku s THR 127 CO 0.02 -0.48 1.39 1.67 -2.21 0.00 0.00 174.62 175.00 1nku n GLN 128 N -1.23 1.26 0.00 7.08 7.27 -1.26 -5.00 117.38 125.50 1nku n GLN 128 Ca 0.02 -1.75 0.00 0.00 0.07 0.00 0.00 57.00 55.33 1nku n GLN 128 Cb 0.54 -0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nku n ALA 129 N -0.85 0.00 0.00 1.69 0.00 -1.26 -5.10 120.51 114.99 1nku n ALA 129 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1nku n ALA 129 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1nku n ALA 129 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nku n THR 130 N 0.00 0.00 -4.25 0.00 -1.04 -1.26 -4.69 114.28 103.04 1nku n THR 130 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1nku n THR 130 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 -0.78 3.30 0.42 12.58 2.01 -1.26 -4.75 115.64 127.15 1nku s THR 131 Ca 0.00 -1.40 0.09 0.00 0.31 0.00 0.00 61.69 60.69 1nku s THR 131 Cb 0.00 -2.57 0.22 0.00 0.01 0.00 0.00 72.50 70.16 1nku s THR 131 CO 0.00 0.04 2.01 -0.07 -0.69 0.00 0.00 174.62 175.91 1nku h LEU 132 N 3.37 0.32 -1.02 4.42 3.38 -1.96 -2.04 115.31 121.77 1nku h LEU 132 Ca -0.48 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 1nku h LEU 132 Cb 1.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1nku h LEU 132 CO 0.52 0.32 -0.26 0.77 0.09 0.00 0.00 178.44 179.88 1nku h SER 133 N 0.36 0.39 0.32 -0.43 4.64 -2.01 -2.58 113.55 114.23 1nku h SER 133 Ca 0.09 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 1nku h SER 133 Cb 0.12 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1nku h SER 133 CO -0.01 0.65 -0.20 -0.33 -0.87 0.00 0.00 176.83 176.07 1nku h GLU 134 N 0.35 0.00 -6.40 4.77 4.39 -1.78 -3.42 114.58 112.49 1nku h GLU 134 Ca 0.05 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.21 1nku h GLU 134 Cb 0.65 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1nku h GLU 134 CO 0.05 0.20 0.93 0.42 -1.16 0.00 0.00 179.01 179.44 1nku s ILE 135 N -4.33 3.39 0.26 3.13 1.09 -0.98 -4.97 121.20 118.80 1nku s ILE 135 Ca -0.03 0.79 -0.29 0.00 -1.10 0.00 0.00 60.65 60.02 1nku s ILE 135 Cb 0.14 -3.51 -0.09 0.00 -1.06 0.00 0.00 42.46 37.94 1nku s ILE 135 CO 0.66 -0.01 1.14 -2.16 -0.10 0.00 0.00 174.94 174.47 1nku s PRO 136 N 2.61 4.57 0.00 2.79 0.04 -1.26 -4.93 135.00 138.82 1nku s PRO 136 Ca 0.69 1.86 0.22 0.00 0.04 0.00 0.00 61.00 63.81 1nku s PRO 136 Cb -0.35 -3.19 0.30 0.00 0.04 0.00 0.00 34.50 31.29 1nku s PRO 136 CO 0.29 0.09 1.28 -2.37 0.04 0.00 0.00 177.00 176.34 1nku n THR 137 N 1.49 0.28 -3.31 1.26 5.66 -1.26 -4.68 114.28 113.72 1nku n THR 137 Ca 0.00 -0.64 -0.23 0.00 -3.05 0.00 0.00 64.05 60.13 1nku n THR 137 Cb 0.44 1.19 -0.08 0.00 -1.55 0.00 0.00 70.33 70.33 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 -1.60 1.21 0.54 1.09 0.01 -1.26 -4.80 113.70 108.89 1nku s SER 138 Ca 0.31 -2.56 -0.08 0.00 1.31 0.00 0.00 55.95 54.93 1nku s SER 138 Cb 0.20 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 1nku s SER 138 CO 0.29 -0.19 0.90 0.42 0.41 0.00 0.00 173.24 175.07 1nku s THR 139 N 0.50 4.80 0.37 1.44 -4.23 -1.26 -4.87 115.64 112.40 1nku s THR 139 Ca 0.28 0.55 0.15 0.00 -1.18 0.00 0.00 61.69 61.50 1nku s THR 139 Cb -0.03 -3.86 0.36 0.00 1.34 0.00 0.00 72.50 70.31 1nku s THR 139 CO -0.12 -0.97 1.76 -0.65 -0.54 0.00 0.00 174.62 174.10 1nku h PRO 140 N 0.05 0.46 -0.41 3.99 0.11 -2.00 0.18 132.00 134.37 1nku h PRO 140 Ca -0.46 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1nku h PRO 140 Cb 1.20 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1nku h PRO 140 CO 0.62 0.30 -0.24 0.00 -0.21 0.00 0.00 178.00 178.47 1nku h ALA 141 N 1.65 0.79 -0.22 -0.75 0.00 -1.92 -2.38 119.26 116.44 1nku h ALA 141 Ca 0.60 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1nku h ALA 141 Cb 1.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1nku h ALA 141 CO -0.35 0.65 0.11 1.03 0.00 0.00 0.00 179.25 180.70 1nku h SER 142 N 0.73 0.28 -0.66 0.00 0.87 -1.01 0.34 113.55 114.10 1nku h SER 142 Ca 0.09 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1nku h SER 142 Cb 0.79 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 1nku h SER 142 CO 0.06 0.30 0.34 -0.78 -0.53 0.00 0.00 176.83 176.22 1nku h ASP 143 N 0.24 0.84 -0.38 6.23 3.58 -1.38 -0.67 116.42 124.88 1nku h ASP 143 Ca 0.08 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 1nku h ASP 143 Cb 0.08 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1nku h ASP 143 CO -0.01 0.71 -0.37 0.00 -2.88 0.00 0.00 179.24 176.69 1nku h ALA 144 N 1.16 0.56 -0.56 -0.78 0.00 -1.16 -2.88 119.26 115.60 1nku h ALA 144 Ca 0.23 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1nku h ALA 144 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nku h ALA 144 CO -0.03 0.65 0.07 1.25 0.00 0.00 0.00 179.25 181.20 1nku h LEU 145 N 0.74 0.90 -0.87 0.00 6.46 -0.06 -1.86 115.31 120.62 1nku h LEU 145 Ca 0.06 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1nku h LEU 145 Cb 0.97 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1nku h LEU 145 CO 0.09 0.94 0.55 0.77 -0.62 0.00 0.00 178.44 180.18 1nku h SER 146 N 0.82 1.03 -0.54 1.25 4.64 -1.10 -0.72 113.55 118.94 1nku h SER 146 Ca 0.17 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1nku h SER 146 Cb 0.44 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1nku h SER 146 CO 0.01 0.77 0.13 0.50 -0.87 0.00 0.00 176.83 177.38 1nku h LYS 147 N 1.19 0.91 -0.04 4.77 3.64 -1.28 -1.06 116.57 124.70 1nku h LYS 147 Ca 0.32 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nku h LYS 147 Cb -0.09 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1nku h LYS 147 CO -0.06 0.82 0.01 0.00 -2.27 0.00 0.00 179.45 177.94 1nku h ALA 148 N 1.28 0.05 -0.80 5.00 0.00 -0.42 -1.73 119.26 122.63 1nku h ALA 148 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nku h ALA 148 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1nku h ALA 148 CO 0.00 -0.32 0.45 -0.07 0.00 0.00 0.00 179.25 179.31 1nku h LEU 149 N -0.16 0.98 -0.53 0.00 3.38 -1.00 -2.19 115.31 115.79 1nku h LEU 149 Ca 0.01 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nku h LEU 149 Cb 0.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1nku h LEU 149 CO 0.00 0.77 0.34 0.50 0.09 0.00 0.00 178.44 180.14 1nku h LYS 150 N 1.11 0.66 -0.77 1.13 3.64 -0.93 -1.30 116.57 120.11 1nku h LYS 150 Ca 0.28 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1nku h LYS 150 Cb -0.00 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 1nku h LYS 150 CO -0.05 0.44 0.34 -0.22 -2.27 0.00 0.00 179.45 177.69 1nku h LYS 151 N 0.68 1.12 0.00 1.90 3.64 -0.73 -1.28 116.57 121.89 1nku h LYS 151 Ca 0.20 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1nku h LYS 151 Cb -0.04 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1nku h LYS 151 CO -0.06 0.88 -0.01 0.00 -2.27 0.00 0.00 179.45 177.98 1nku h ARG 152 N 1.10 0.00 0.00 1.90 2.47 -0.83 -3.45 114.38 115.57 1nku h ARG 152 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1nku h ARG 152 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1nku h ARG 152 CO -0.03 0.01 0.00 0.41 0.56 0.00 0.00 179.97 180.92 1nku n GLY 153 N -0.65 1.89 3.76 0.04 0.00 -0.48 -4.91 105.19 104.84 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 0.28 1.61 0.40 -0.54 -4.83 117.98 116.51 1nku s PHE 154 Ca 0.00 1.00 0.05 0.00 -0.60 0.00 0.00 56.93 57.38 1nku s PHE 154 Cb 0.00 -2.50 -0.02 0.00 0.51 0.00 0.00 43.02 41.00 1nku s PHE 154 CO 0.00 0.33 0.41 0.15 0.70 0.00 0.00 175.22 176.82 1nku s LYS 155 N -0.02 3.31 -1.11 0.44 1.02 -1.26 -4.46 119.74 117.66 1nku s LYS 155 Ca 0.27 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.40 1nku s LYS 155 Cb -0.16 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1nku s LYS 155 CO 0.13 0.27 0.95 1.19 -0.92 0.00 0.00 175.35 176.96 1nku n PHE 156 N -1.52 -2.28 -1.30 3.18 3.72 -1.26 -4.93 117.46 113.07 1nku n PHE 156 Ca -0.05 0.89 0.07 0.00 -0.05 0.00 0.00 57.45 58.30 1nku n PHE 156 Cb 0.57 -4.60 0.19 0.00 -0.94 0.00 0.00 39.48 34.70 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1nku n VAL 157 N -3.67 2.13 -0.96 -4.37 0.24 -1.26 -4.63 118.33 105.81 1nku n VAL 157 Ca -0.19 -2.65 -0.35 0.00 -2.04 0.00 0.00 64.34 59.12 1nku n VAL 157 Cb 0.64 -0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.82 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nku n GLY 158 N -1.19 -3.89 0.33 7.63 0.00 -1.26 -4.33 105.19 102.47 1nku n GLY 158 Ca 0.20 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.10 0.87 -0.25 2.61 2.02 -1.96 -0.94 112.91 114.16 1nku h THR 159 Ca -0.44 -0.01 -0.16 0.00 0.77 0.00 0.00 66.41 66.56 1nku h THR 159 Cb 1.30 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1nku h THR 159 CO 0.27 0.01 -0.49 0.71 0.37 0.00 0.00 175.52 176.39 1nku h THR 160 N 0.04 1.29 -0.58 3.16 1.35 -1.87 -1.16 112.91 115.16 1nku h THR 160 Ca 0.15 -1.68 -0.09 0.00 -0.55 0.00 0.00 66.41 64.23 1nku h THR 160 Cb 0.53 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1nku h THR 160 CO -0.01 0.54 -0.00 0.40 -0.25 0.00 0.00 175.52 176.20 1nku h ILE 161 N 0.52 1.26 -0.31 6.82 2.04 -1.49 -0.55 117.51 125.80 1nku h ILE 161 Ca 0.01 -1.13 -0.11 0.00 1.00 0.00 0.00 64.86 64.63 1nku h ILE 161 Cb 1.09 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1nku h ILE 161 CO 0.11 0.41 -0.25 0.00 0.00 0.00 0.00 178.15 178.42 1nku h TYR 163 N 0.48 0.81 -0.86 0.00 3.20 -1.01 -2.12 116.97 117.47 1nku h TYR 163 Ca 0.06 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1nku h TYR 163 Cb 0.81 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1nku h TYR 163 CO 0.07 0.63 0.50 1.03 -1.64 0.00 0.00 178.16 178.75 1nku h SER 164 N 0.76 1.05 -0.30 -2.11 0.87 -1.01 -1.88 113.55 110.92 1nku h SER 164 Ca 0.19 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1nku h SER 164 Cb 0.13 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1nku h SER 164 CO -0.02 0.82 0.17 0.15 -0.53 0.00 0.00 176.83 177.41 1nku h PHE 165 N 1.19 0.41 -1.00 2.24 3.57 -1.01 -0.23 116.94 122.12 1nku h PHE 165 Ca 0.31 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.82 1nku h PHE 165 Cb -0.02 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 1nku h PHE 165 CO 0.00 0.33 0.66 0.52 -2.23 0.00 0.00 178.31 177.59 1nku h MET 166 N 0.38 1.27 -0.48 1.11 2.86 -1.04 0.22 114.93 119.25 1nku h MET 166 Ca 0.11 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1nku h MET 166 Cb 0.05 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 1nku h MET 166 CO -0.02 0.84 0.02 1.96 1.06 0.00 0.00 176.91 180.77 1nku h GLN 167 N 1.31 0.83 -0.07 1.72 4.20 -0.81 0.39 115.11 122.67 1nku h GLN 167 Ca 0.38 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1nku h GLN 167 Cb -0.07 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1nku h GLN 167 CO -0.10 0.87 -0.13 0.00 -0.67 0.00 0.00 178.83 178.80 1nku h ALA 168 N 0.93 0.11 0.13 3.87 0.00 -0.40 -2.71 119.26 121.19 1nku h ALA 168 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nku h ALA 168 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nku h ALA 168 CO 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.20 1nku n GLY 170 N -0.52 0.64 0.35 0.00 0.00 0.06 -3.49 105.19 102.23 1nku n GLY 170 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 0.67 -8.16 0.99 -0.00 -1.68 -3.30 115.31 103.84 1nku h LEU 171 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.48 1nku h LEU 171 Cb 0.00 -0.14 -0.27 0.00 -0.00 0.00 0.00 40.66 40.25 1nku h LEU 171 CO 0.00 0.43 -0.78 0.54 -0.00 0.00 0.00 178.44 178.63 1nku s VAL 172 N -5.68 0.86 -0.42 1.22 0.11 -1.23 -1.79 120.40 113.47 1nku s VAL 172 Ca -0.10 -0.67 -0.17 0.00 -2.93 0.00 0.00 61.98 58.12 1nku s VAL 172 Cb 0.19 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1nku s VAL 172 CO 0.77 0.09 0.41 0.20 -3.33 0.00 0.00 175.10 173.25 1nku s ASN 173 N -0.65 6.18 -0.49 3.54 0.02 -0.52 -4.51 114.94 118.51 1nku s ASN 173 Ca 0.02 -0.71 0.03 0.00 -1.02 0.00 0.00 52.86 51.18 1nku s ASN 173 Cb -0.06 -2.21 0.13 0.00 0.02 0.00 0.00 41.25 39.13 1nku s ASN 173 CO 0.00 -0.55 0.24 -1.81 0.02 0.00 0.00 177.10 175.00 1nku s ASP 174 N 1.78 4.49 0.00 -1.22 1.01 -1.26 -1.85 116.67 119.62 1nku s ASP 174 Ca 0.11 -2.83 0.00 0.00 0.71 0.00 0.00 52.55 50.54 1nku s ASP 174 Cb -0.17 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.10 1nku s ASP 174 CO 0.13 -0.27 0.00 1.41 0.21 0.00 0.00 175.17 176.64 1nku n HIS 175 N 3.37 0.00 0.00 4.23 8.25 -1.26 -5.08 115.22 124.73 1nku n HIS 175 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1nku n HIS 175 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.84 0.00 0.00 1.59 3.14 -1.26 -4.77 118.33 116.19 1nku n VAL 176 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1nku n VAL 176 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1nku n VAL 176 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1nku n VAL 177 N 0.00 0.00 -2.32 1.55 0.31 -1.26 -4.56 118.33 112.05 1nku n VAL 177 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1nku n VAL 177 Cb 0.00 -0.50 0.02 0.00 -0.91 0.00 0.00 33.84 32.44 1nku n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nku n GLY 178 N 2.18 5.29 0.93 2.92 0.00 -1.26 -4.41 105.19 110.84 1nku n GLY 178 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 -5.21 3.08 0.01 0.00 5.04 -1.25 -4.99 117.35 114.02 1nku s TYR 182 Ca -0.06 -3.12 -0.03 0.00 -2.44 0.00 0.00 57.07 51.41 1nku s TYR 182 Cb 0.20 -2.43 -0.02 0.00 0.35 0.00 0.00 41.96 40.07 1nku s TYR 182 CO 0.75 -0.63 1.02 -1.35 -1.34 0.00 0.00 175.55 174.00 1nku h PRO 183 N 5.67 -0.12 0.00 4.97 0.11 -1.76 -3.35 132.00 137.53 1nku h PRO 183 Ca 0.12 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1nku h PRO 183 Cb 0.81 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1nku h PRO 183 CO 0.65 -0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 1nku n GLY 184 N -0.97 2.07 0.37 -0.55 0.00 -1.26 -4.56 105.19 100.30 1nku n GLY 184 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 0.55 -4.15 1.61 5.03 -1.26 -5.07 115.26 111.97 1nku n ASN 185 Ca 0.00 -2.18 -0.16 0.00 0.87 0.00 0.00 54.58 53.11 1nku n ASN 185 Cb 0.00 -0.24 -0.12 0.00 -1.02 0.00 0.00 39.78 38.41 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1nku s LYS 186 N -0.64 0.76 0.00 3.52 -0.14 -1.26 -5.29 119.74 116.68 1nku s LYS 186 Ca 0.07 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 1nku s LYS 186 Cb 0.06 -0.64 0.00 0.00 -1.68 0.00 0.00 37.83 35.57 1nku s LYS 186 CO 0.01 0.13 0.00 -2.30 -0.76 0.00 0.00 175.35 172.43