#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 3.83 0.06 2.12 2.02 -1.26 -5.08 118.70 120.38 1nku s GLU 2 Ca 0.00 0.28 0.03 0.00 0.02 0.00 0.00 54.97 55.30 1nku s GLU 2 Cb 0.00 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.38 1nku s GLU 2 CO 0.00 0.43 -0.09 0.50 0.02 0.00 0.00 175.26 176.12 1nku s ARG 3 N -2.38 0.63 0.32 1.61 3.52 -1.26 -3.84 118.95 117.55 1nku s ARG 3 Ca 0.41 -0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 54.84 1nku s ARG 3 Cb -0.13 -0.38 -0.13 0.00 -1.56 0.00 0.00 34.95 32.75 1nku s ARG 3 CO 0.20 0.06 1.27 0.00 -0.81 0.00 0.00 175.30 176.02 1nku h GLY 5 N 2.73 0.04 0.40 0.00 0.00 -1.98 -2.91 103.07 101.36 1nku h GLY 5 Ca -0.45 -0.04 0.20 0.00 0.00 0.00 0.00 47.33 47.04 1nku h GLY 5 CO 0.64 0.03 0.57 1.49 0.00 0.00 0.00 176.54 179.28 1nku h TRP 6 N 0.04 0.44 -3.23 5.60 4.06 -1.92 -3.41 115.95 117.53 1nku h TRP 6 Ca 0.00 0.01 -0.53 0.00 2.06 0.00 0.00 58.89 60.43 1nku h TRP 6 Cb 0.64 -0.14 0.08 0.00 -1.00 0.00 0.00 29.16 28.75 1nku h TRP 6 CO 0.00 0.13 0.88 1.33 -3.56 0.00 0.00 178.44 177.22 1nku n VAL 7 N -4.47 0.96 0.00 1.49 0.24 -1.10 -4.51 118.33 110.94 1nku n VAL 7 Ca 0.18 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1nku n VAL 7 Cb 0.69 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.10 1nku n VAL 7 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1nku n SER 8 N 2.27 0.00 -3.60 -1.34 3.41 -1.26 -5.05 113.62 108.05 1nku n SER 8 Ca 0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.55 1nku n SER 8 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1nku n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nku n GLN 9 N 0.00 1.03 -1.18 4.33 3.00 -1.26 -5.06 117.38 118.23 1nku n GLN 9 Ca 0.00 -1.94 -0.38 0.00 -0.01 0.00 0.00 57.00 54.67 1nku n GLN 9 Cb 0.00 0.21 0.03 0.00 0.00 0.00 0.00 30.24 30.48 1nku n GLN 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1nku n ASP 10 N -1.92 -3.89 0.24 1.08 8.00 -1.26 -4.72 116.55 114.08 1nku n ASP 10 Ca -0.01 0.51 0.14 0.00 0.71 0.00 0.00 54.79 56.13 1nku n ASP 10 Cb 0.35 -0.89 0.73 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.36 0.00 -0.48 -0.24 0.13 -2.02 -2.06 132.00 126.97 1nku h PRO 11 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1nku h PRO 11 Cb 1.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 1nku h PRO 11 CO 0.37 0.00 0.14 1.25 -0.23 0.00 0.00 178.00 179.53 1nku h LEU 12 N 0.00 0.65 0.07 1.56 5.85 -2.00 -2.17 115.31 119.27 1nku h LEU 12 Ca 0.00 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1nku h LEU 12 Cb 0.24 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1nku h LEU 12 CO 0.00 0.63 -0.04 0.22 -0.34 0.00 0.00 178.44 178.92 1nku h TYR 13 N 0.70 -0.09 -0.89 1.25 3.20 -1.66 -2.07 116.97 117.40 1nku h TYR 13 Ca 0.16 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1nku h TYR 13 Cb 0.22 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 1nku h TYR 13 CO 0.01 0.15 0.52 0.82 -1.64 0.00 0.00 178.16 178.02 1nku h ILE 14 N -0.33 1.25 -0.75 1.81 5.03 -1.68 0.19 117.51 123.03 1nku h ILE 14 Ca -0.01 -0.57 0.03 0.00 -0.12 0.00 0.00 64.86 64.19 1nku h ILE 14 Cb 0.28 0.01 -0.04 0.00 -3.03 0.00 0.00 36.82 34.04 1nku h ILE 14 CO 0.02 0.27 0.49 0.00 -0.68 0.00 0.00 178.15 178.25 1nku h ALA 15 N 1.34 1.55 -0.12 1.87 0.00 -1.28 0.25 119.26 122.87 1nku h ALA 15 Ca 0.32 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1nku h ALA 15 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1nku h ALA 15 CO -0.06 0.37 -0.58 -0.92 0.00 0.00 0.00 179.25 178.06 1nku h TYR 16 N 0.92 0.49 -0.84 0.00 3.20 -0.35 -0.92 116.97 119.47 1nku h TYR 16 Ca 0.30 -0.18 0.10 0.00 3.14 0.00 0.00 58.73 62.09 1nku h TYR 16 Cb 0.04 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.15 1nku h TYR 16 CO -0.00 0.87 0.48 1.25 -1.64 0.00 0.00 178.16 179.13 1nku h HIS 17 N 0.29 0.87 0.00 -3.82 2.76 0.14 -2.34 115.15 113.05 1nku h HIS 17 Ca -0.00 0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 57.97 1nku h HIS 17 Cb 1.11 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.76 1nku h HIS 17 CO 0.03 0.35 -1.50 -0.44 -1.30 0.00 0.00 177.93 175.07 1nku h ASP 18 N 0.80 0.00 -0.44 3.26 3.32 -1.41 -3.17 116.42 118.78 1nku h ASP 18 Ca 0.41 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.51 1nku h ASP 18 Cb 0.40 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1nku h ASP 18 CO -0.26 0.83 0.18 -1.13 -1.72 0.00 0.00 179.24 177.14 1nku h ASN 19 N 0.00 0.21 0.00 6.45 -1.24 -0.64 -3.42 115.58 116.95 1nku h ASN 19 Ca -0.21 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1nku h ASN 19 Cb 1.82 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.88 1nku h ASN 19 CO 0.07 0.16 0.00 -1.84 -1.29 0.00 0.00 177.43 174.53 1nku n GLU 20 N -4.98 0.00 -4.30 6.67 0.28 -1.03 -5.09 120.64 112.20 1nku n GLU 20 Ca 0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.73 1nku n GLU 20 Cb 0.15 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.85 1nku n GLU 20 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1nku s TRP 21 N 0.00 2.31 0.00 -1.84 -0.00 -1.20 -4.61 118.94 113.60 1nku s TRP 21 Ca 0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 56.10 54.87 1nku s TRP 21 Cb 0.00 -1.64 0.00 0.00 -0.00 0.00 0.00 33.47 31.83 1nku s TRP 21 CO 0.00 -0.62 0.00 0.41 -0.00 0.00 0.00 176.95 176.74 1nku n GLY 22 N 4.44 0.76 3.59 5.86 0.00 -1.22 -4.92 105.19 113.69 1nku n GLY 22 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1nku n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nku s VAL 23 N -2.33 5.18 0.11 1.61 0.11 -1.26 -4.63 120.40 119.19 1nku s VAL 23 Ca 0.00 0.42 -0.35 0.00 -2.93 0.00 0.00 61.98 59.12 1nku s VAL 23 Cb 0.00 -3.71 -0.17 0.00 -1.53 0.00 0.00 36.38 30.97 1nku s VAL 23 CO 0.00 0.11 1.22 -2.65 -3.33 0.00 0.00 175.10 170.45 1nku n PRO 24 N 5.33 1.00 -4.82 1.54 -0.02 -1.19 -3.93 135.00 132.91 1nku n PRO 24 Ca -0.09 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.42 1nku n PRO 24 Cb 0.51 -1.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.07 2.83 0.00 -0.52 2.56 -0.06 -4.92 118.70 118.66 1nku s GLU 25 Ca 0.80 -0.67 0.05 0.00 0.00 0.00 0.00 54.97 55.15 1nku s GLU 25 Cb -0.95 -2.49 0.11 0.00 2.00 0.00 0.00 34.13 32.80 1nku s GLU 25 CO 0.50 0.49 0.95 0.25 -0.56 0.00 0.00 175.26 176.89 1nku n THR 26 N 2.71 0.61 -2.94 -1.70 -2.24 -1.26 -4.97 114.28 104.49 1nku n THR 26 Ca -0.18 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.38 1nku n THR 26 Cb 0.52 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.79 6.70 0.35 3.42 1.01 -1.26 -4.91 116.67 121.18 1nku s ASP 27 Ca 0.09 0.75 0.10 0.00 0.71 0.00 0.00 52.55 54.21 1nku s ASP 27 Cb 0.05 -2.41 0.65 0.00 1.01 0.00 0.00 42.92 42.23 1nku s ASP 27 CO 0.07 -0.58 1.80 0.77 0.21 0.00 0.00 175.17 177.45 1nku h SER 28 N 8.01 0.11 -0.48 0.27 4.64 -1.98 -2.66 113.55 121.46 1nku h SER 28 Ca -0.24 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1nku h SER 28 Cb 1.10 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1nku h SER 28 CO 0.88 0.45 0.31 0.11 -0.87 0.00 0.00 176.83 177.71 1nku h LYS 29 N 0.10 0.62 -0.37 4.77 1.57 -1.98 0.53 116.57 121.80 1nku h LYS 29 Ca 0.01 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1nku h LYS 29 Cb 0.66 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1nku h LYS 29 CO 0.05 0.41 -0.06 0.87 -0.57 0.00 0.00 179.45 180.15 1nku h LYS 30 N 0.64 0.69 -0.57 3.15 1.57 -1.93 -1.47 116.57 118.65 1nku h LYS 30 Ca 0.18 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1nku h LYS 30 Cb -0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1nku h LYS 30 CO -0.04 0.83 0.01 -0.07 -0.57 0.00 0.00 179.45 179.61 1nku h LEU 31 N 0.50 0.98 0.25 2.94 3.38 -1.13 0.16 115.31 122.38 1nku h LEU 31 Ca 0.10 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1nku h LEU 31 Cb 0.56 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1nku h LEU 31 CO 0.03 1.04 -0.12 0.15 0.09 0.00 0.00 178.44 179.63 1nku h PHE 32 N 0.89 -0.31 -0.32 1.13 3.57 0.18 0.31 116.94 122.39 1nku h PHE 32 Ca 0.16 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1nku h PHE 32 Cb 0.53 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1nku h PHE 32 CO 0.04 -0.15 -0.01 0.93 -2.23 0.00 0.00 178.31 176.89 1nku h GLU 33 N -0.40 0.50 -0.56 1.11 5.08 -1.20 -2.48 114.58 116.63 1nku h GLU 33 Ca -0.03 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1nku h GLU 33 Cb 0.30 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1nku h GLU 33 CO 0.06 0.54 0.25 1.98 -1.00 0.00 0.00 179.01 180.83 1nku h MET 34 N 0.48 0.82 -0.15 2.33 4.05 -0.18 0.58 114.93 122.86 1nku h MET 34 Ca 0.10 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1nku h MET 34 Cb 0.33 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1nku h MET 34 CO 0.01 0.69 0.09 0.82 0.23 0.00 0.00 176.91 178.75 1nku h ILE 35 N 0.76 1.03 -0.11 1.77 1.08 -0.49 0.92 117.51 122.47 1nku h ILE 35 Ca 0.19 -0.07 -0.19 0.00 -0.39 0.00 0.00 64.86 64.40 1nku h ILE 35 Cb 0.15 0.82 0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1nku h ILE 35 CO -0.02 0.03 -0.68 0.00 -0.69 0.00 0.00 178.15 176.80 1nku h LEU 37 N 0.32 0.32 -1.40 0.00 5.85 0.28 -3.01 115.31 117.68 1nku h LEU 37 Ca -0.05 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1nku h LEU 37 Cb 1.32 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1nku h LEU 37 CO 0.14 0.58 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.64 1nku h GLU 38 N 0.06 0.00 -1.00 1.25 4.22 -0.93 -3.11 114.58 115.08 1nku h GLU 38 Ca 0.05 0.00 0.33 0.00 0.08 0.00 0.00 59.36 59.81 1nku h GLU 38 Cb 0.43 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.53 1nku h GLU 38 CO 0.01 0.11 0.56 0.78 -2.18 0.00 0.00 179.01 178.29 1nku h GLY 39 N 1.88 2.07 1.90 1.92 0.00 -1.36 1.62 103.07 111.09 1nku h GLY 39 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1nku h GLY 39 CO 0.01 -0.51 -0.26 1.46 0.00 0.00 0.00 176.54 177.25 1nku h GLN 40 N 0.31 0.12 -1.31 4.80 7.50 -1.71 -2.79 115.11 122.03 1nku h GLN 40 Ca 0.74 -0.04 0.38 0.00 0.50 0.00 0.00 58.65 60.23 1nku h GLN 40 Cb 1.69 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 29.15 1nku h GLN 40 CO -0.61 0.38 0.94 -0.56 -1.50 0.00 0.00 178.83 177.47 1nku h GLN 41 N 0.11 0.01 -5.99 1.46 3.07 0.22 -3.38 115.11 110.61 1nku h GLN 41 Ca 0.02 -0.00 -0.75 0.00 0.09 0.00 0.00 58.65 58.01 1nku h GLN 41 Cb 0.53 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.05 1nku h GLN 41 CO 0.04 0.01 1.34 0.00 0.09 0.00 0.00 178.83 180.31 1nku n ALA 42 N -2.78 0.39 0.00 0.06 0.00 -1.05 0.26 120.51 117.38 1nku n ALA 42 Ca 0.29 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1nku n ALA 42 Cb 1.36 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 7.31 2.63 3.97 0.00 0.00 -1.26 -5.00 105.19 112.84 1nku n GLY 43 Ca 0.52 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 3.45 0.27 0.99 1.43 0.72 -5.10 118.68 120.43 1nku s LEU 44 Ca 0.00 -0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1nku s LEU 44 Cb 0.00 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1nku s LEU 44 CO 0.00 -0.95 0.40 -0.44 0.23 0.00 0.00 176.35 175.58 1nku s SER 45 N -4.35 6.23 0.39 2.29 0.01 -1.26 -4.75 113.70 112.25 1nku s SER 45 Ca 0.54 0.03 0.12 0.00 1.31 0.00 0.00 55.95 57.95 1nku s SER 45 Cb -0.10 -1.72 0.94 0.00 0.21 0.00 0.00 66.02 65.35 1nku s SER 45 CO 0.37 -0.17 1.88 -0.25 0.41 0.00 0.00 173.24 175.48 1nku h TRP 46 N 1.08 0.67 -1.00 2.43 2.91 -1.99 -0.82 115.95 119.22 1nku h TRP 46 Ca -0.50 0.02 0.07 0.00 1.13 0.00 0.00 58.89 59.61 1nku h TRP 46 Cb 1.24 -0.21 -0.07 0.00 -0.51 0.00 0.00 29.16 29.61 1nku h TRP 46 CO 0.45 0.24 0.65 0.97 -1.03 0.00 0.00 178.44 179.71 1nku h ILE 47 N 0.56 1.08 -0.48 2.65 6.09 -2.00 -0.48 117.51 124.92 1nku h ILE 47 Ca 0.42 -0.40 -0.08 0.00 -1.37 0.00 0.00 64.86 63.43 1nku h ILE 47 Cb 0.83 -0.18 -0.02 0.00 0.47 0.00 0.00 36.82 37.91 1nku h ILE 47 CO -0.17 0.21 -0.04 0.74 -3.07 0.00 0.00 178.15 175.82 1nku h THR 48 N 1.16 1.25 -0.52 2.19 2.02 -1.54 -3.01 112.91 114.46 1nku h THR 48 Ca 0.44 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 1nku h THR 48 Cb 0.19 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1nku h THR 48 CO -0.18 0.38 0.09 0.58 0.37 0.00 0.00 175.52 176.77 1nku h VAL 49 N 0.77 1.25 -0.11 3.16 2.07 -0.97 -2.51 116.25 119.90 1nku h VAL 49 Ca 0.14 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1nku h VAL 49 Cb 0.52 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1nku h VAL 49 CO 0.03 0.33 -0.03 -0.07 0.02 0.00 0.00 177.57 177.85 1nku h LEU 50 N 0.74 -0.12 -0.70 2.57 3.38 -1.17 1.53 115.31 121.54 1nku h LEU 50 Ca 0.16 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1nku h LEU 50 Cb 0.39 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1nku h LEU 50 CO 0.01 -0.04 0.41 0.11 0.09 0.00 0.00 178.44 179.02 1nku h LYS 51 N -0.01 0.75 -0.13 1.13 1.57 -1.52 0.21 116.57 118.58 1nku h LYS 51 Ca 0.06 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1nku h LYS 51 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1nku h LYS 51 CO -0.12 0.50 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.91 1nku h LYS 52 N 0.77 0.20 -0.77 3.15 3.64 -0.78 -2.54 116.57 120.24 1nku h LYS 52 Ca 0.30 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.78 1nku h LYS 52 Cb 0.13 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.83 1nku h LYS 52 CO -0.16 0.33 0.33 -0.09 -2.27 0.00 0.00 179.45 177.60 1nku h ARG 53 N 0.19 0.47 -0.28 1.90 2.43 0.55 1.30 114.38 120.93 1nku h ARG 53 Ca 0.04 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1nku h ARG 53 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1nku h ARG 53 CO 0.02 0.31 -0.14 1.49 -1.51 0.00 0.00 179.97 180.14 1nku h GLU 54 N 0.49 0.60 -0.46 0.20 4.81 -1.32 -2.77 114.58 116.13 1nku h GLU 54 Ca 0.42 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1nku h GLU 54 Cb 0.62 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1nku h GLU 54 CO -0.39 0.84 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.80 1nku h ASN 55 N 0.34 0.74 -0.53 1.04 2.35 -0.93 -2.79 115.58 115.81 1nku h ASN 55 Ca 0.06 -0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1nku h ASN 55 Cb 0.66 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 1nku h ASN 55 CO 0.04 0.82 0.28 0.22 -1.65 0.00 0.00 177.43 177.15 1nku h TYR 56 N 0.72 0.52 0.00 1.19 3.20 0.17 -0.00 116.97 122.77 1nku h TYR 56 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1nku h TYR 56 Cb 0.47 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1nku h TYR 56 CO 0.02 0.26 -0.16 0.00 -1.64 0.00 0.00 178.16 176.64 1nku h ARG 57 N 0.55 0.00 -0.61 1.82 3.08 -1.24 -0.20 114.38 117.78 1nku h ARG 57 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1nku h ARG 57 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1nku h ARG 57 CO -0.15 0.16 0.34 0.00 -1.07 0.00 0.00 179.97 179.26 1nku h ALA 58 N 1.84 0.78 0.08 0.04 0.00 -0.76 -2.34 119.26 118.90 1nku h ALA 58 Ca -0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 1nku h ALA 58 Cb 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1nku h ALA 58 CO 0.02 0.29 -2.10 0.00 0.00 0.00 0.00 179.25 177.46 1nku n PHE 60 N -3.35 0.79 -0.16 0.00 3.72 -0.12 -4.34 117.46 114.00 1nku n PHE 60 Ca -0.34 0.34 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1nku n PHE 60 Cb 1.04 -1.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.08 1nku n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nku h HIS 61 N -1.00 0.48 -0.82 1.38 2.76 -1.52 -0.20 115.15 116.23 1nku h HIS 61 Ca -0.34 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 57.95 1nku h HIS 61 Cb 1.21 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.96 1nku h HIS 61 CO -0.01 0.18 0.54 0.37 -1.30 0.00 0.00 177.93 177.71 1nku h GLN 62 N 0.41 0.72 -0.24 5.26 4.15 -1.72 -1.10 115.11 122.59 1nku h GLN 62 Ca 0.37 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1nku h GLN 62 Cb 0.86 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1nku h GLN 62 CO -0.12 0.48 0.00 1.19 -1.93 0.00 0.00 178.83 178.45 1nku n PHE 63 N -4.52 0.29 -1.37 3.99 3.72 -0.16 -5.08 117.46 114.34 1nku n PHE 63 Ca 0.14 -0.15 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1nku n PHE 63 Cb 0.35 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.81 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nku n ASP 64 N 1.45 -7.30 0.03 4.37 9.92 -0.42 -3.77 116.55 120.82 1nku n ASP 64 Ca 0.17 1.22 -0.09 0.00 -0.53 0.00 0.00 54.79 55.57 1nku n ASP 64 Cb 0.61 -4.61 0.07 0.00 -0.64 0.00 0.00 41.12 36.54 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 -1.40 0.47 -0.27 -0.24 0.13 -1.89 -3.16 132.00 125.64 1nku h PRO 65 Ca -0.16 -0.31 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1nku h PRO 65 Cb 1.28 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1nku h PRO 65 CO 0.06 0.92 0.14 0.28 -0.23 0.00 0.00 178.00 179.17 1nku h VAL 66 N 0.36 1.00 -0.24 1.56 2.07 -1.96 -1.83 116.25 117.20 1nku h VAL 66 Ca 0.00 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1nku h VAL 66 Cb 1.11 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1nku h VAL 66 CO 0.10 0.05 -0.08 0.11 0.02 0.00 0.00 177.57 177.78 1nku h LYS 67 N 0.30 0.38 -0.82 1.57 1.57 -1.65 -2.55 116.57 115.36 1nku h LYS 67 Ca 0.11 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1nku h LYS 67 Cb 0.02 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 1nku h LYS 67 CO -0.07 0.47 0.49 0.28 -0.57 0.00 0.00 179.45 180.06 1nku h VAL 68 N 0.36 1.00 0.00 0.50 2.07 -1.30 0.23 116.25 119.11 1nku h VAL 68 Ca 0.07 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1nku h VAL 68 Cb 0.37 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1nku h VAL 68 CO 0.02 0.16 -0.37 0.00 0.02 0.00 0.00 177.57 177.40 1nku h ALA 69 N 1.41 1.14 -0.01 1.67 0.00 -1.21 -2.16 119.26 120.10 1nku h ALA 69 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 69 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nku h ALA 69 CO -0.19 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 1nku n ALA 70 N -2.36 2.65 -1.96 0.00 0.00 0.64 -4.88 120.51 114.60 1nku n ALA 70 Ca -0.01 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 1nku n ALA 70 Cb 0.45 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.03 2.59 0.42 0.00 -1.94 -0.12 -5.06 119.30 113.16 1nku s MET 71 Ca 0.43 0.09 0.04 0.00 -1.71 0.00 0.00 55.69 54.54 1nku s MET 71 Cb 0.21 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.88 1nku s MET 71 CO 0.36 -1.06 0.04 -0.65 -0.01 0.00 0.00 175.02 173.71 1nku s GLN 72 N -5.25 1.95 0.57 2.03 -0.21 -1.26 -5.00 119.66 112.49 1nku s GLN 72 Ca 0.58 -2.16 0.26 0.00 0.02 0.00 0.00 55.36 54.05 1nku s GLN 72 Cb -0.11 -1.20 1.59 0.00 1.00 0.00 0.00 33.01 34.29 1nku s GLN 72 CO 0.48 -0.27 2.14 0.93 -2.12 0.00 0.00 175.29 176.45 1nku h GLU 73 N 1.73 0.00 0.00 2.91 4.39 -2.01 0.59 114.58 122.20 1nku h GLU 73 Ca -0.41 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.17 1nku h GLU 73 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1nku h GLU 73 CO 0.71 0.00 -0.57 1.05 -1.16 0.00 0.00 179.01 179.04 1nku h GLU 74 N 0.00 0.00 -0.24 2.33 4.11 -1.99 -2.87 114.58 115.92 1nku h GLU 74 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 1nku h GLU 74 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nku h GLU 74 CO -0.00 0.57 -0.02 -0.44 0.07 0.00 0.00 179.01 179.19 1nku h ASP 75 N 0.00 0.43 -0.32 3.06 3.32 -1.26 0.17 116.42 121.81 1nku h ASP 75 Ca -0.01 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 1nku h ASP 75 Cb 1.03 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1nku h ASP 75 CO 0.07 0.66 0.04 -0.37 -1.72 0.00 0.00 179.24 177.93 1nku h VAL 76 N 0.19 1.24 -0.44 -1.35 -1.51 -1.52 -1.08 116.25 111.79 1nku h VAL 76 Ca 0.06 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.65 1nku h VAL 76 Cb 0.45 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.76 1nku h VAL 76 CO 0.02 0.28 0.12 -0.08 -1.23 0.00 0.00 177.57 176.68 1nku h GLU 77 N 0.37 0.64 -0.24 5.19 4.81 -1.48 0.20 114.58 124.08 1nku h GLU 77 Ca 0.10 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1nku h GLU 77 Cb 0.37 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1nku h GLU 77 CO 0.01 0.58 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.70 1nku h ARG 78 N 0.63 0.47 0.00 1.92 2.43 -0.53 -3.11 114.38 116.20 1nku h ARG 78 Ca 0.15 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1nku h ARG 78 Cb 0.22 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1nku h ARG 78 CO -0.01 0.72 -0.04 1.37 -1.51 0.00 0.00 179.97 180.50 1nku h LEU 79 N 0.20 0.00 -1.00 3.80 8.10 -0.95 -3.28 115.31 122.18 1nku h LEU 79 Ca 0.06 0.00 0.18 0.00 0.11 0.00 0.00 57.88 58.23 1nku h LEU 79 Cb 0.56 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 40.67 1nku h LEU 79 CO 0.03 0.04 0.60 1.62 -4.11 0.00 0.00 178.44 176.62 1nku h VAL 80 N 0.00 0.72 -0.49 0.15 3.04 -0.52 0.12 116.25 119.26 1nku h VAL 80 Ca -0.00 -0.27 0.01 0.00 -1.01 0.00 0.00 66.70 65.43 1nku h VAL 80 Cb 1.02 -0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 30.16 1nku h VAL 80 CO 0.01 0.14 0.32 -0.61 -1.01 0.00 0.00 177.57 176.42 1nku h GLN 81 N 0.77 0.63 -4.80 4.17 4.15 -1.68 -3.38 115.11 114.98 1nku h GLN 81 Ca 0.57 -0.04 -0.66 0.00 0.77 0.00 0.00 58.65 59.29 1nku h GLN 81 Cb 0.86 -0.14 -0.18 0.00 0.21 0.00 0.00 27.48 28.22 1nku h GLN 81 CO -0.37 0.42 -0.50 -0.51 -1.93 0.00 0.00 178.83 175.94 1nku s ASP 82 N -5.63 6.02 0.02 -0.69 1.01 0.41 -4.76 116.67 113.05 1nku s ASP 82 Ca -0.13 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 52.88 1nku s ASP 82 Cb 0.12 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.92 1nku s ASP 82 CO 0.74 -0.15 0.00 0.00 0.21 0.00 0.00 175.17 175.96 1nku n ALA 83 N 5.08 0.00 -2.02 5.23 0.00 -1.26 -4.79 120.51 122.75 1nku n ALA 83 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 1nku n ALA 83 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.41 0.22 3.48 0.00 0.00 -1.26 -5.00 105.19 101.21 1nku n GLY 84 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.22 2.24 -0.51 -0.61 -4.36 -1.26 -5.01 121.20 109.48 1nku s ILE 85 Ca 0.00 -2.29 0.17 0.00 -0.26 0.00 0.00 60.65 58.27 1nku s ILE 85 Cb 0.00 -2.42 0.17 0.00 1.25 0.00 0.00 42.46 41.46 1nku s ILE 85 CO 0.00 -0.34 1.52 -0.38 0.24 0.00 0.00 174.94 175.99 1nku n ILE 86 N -0.66 1.17 -1.83 8.37 5.41 -1.26 -4.75 119.36 125.82 1nku n ILE 86 Ca -0.05 0.52 -0.39 0.00 1.00 0.00 0.00 62.75 63.83 1nku n ILE 86 Cb 0.62 -1.48 0.03 0.00 -0.71 0.00 0.00 39.64 38.10 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 -3.33 3.39 0.37 0.38 1.81 -1.26 -5.02 118.95 115.29 1nku s ARG 87 Ca 0.01 2.27 0.08 0.00 -1.72 0.00 0.00 55.73 56.36 1nku s ARG 87 Cb 0.06 -2.42 -0.06 0.00 -0.45 0.00 0.00 34.95 32.08 1nku s ARG 87 CO 0.21 -1.00 0.05 -1.01 -0.68 0.00 0.00 175.30 172.87 1nku s HIS 88 N -1.28 2.55 0.32 -0.53 3.76 -1.26 -4.92 115.29 113.92 1nku s HIS 88 Ca 0.67 -0.53 0.07 0.00 -0.15 0.00 0.00 55.06 55.13 1nku s HIS 88 Cb -0.41 -1.66 0.78 0.00 1.11 0.00 0.00 32.58 32.40 1nku s HIS 88 CO 0.50 0.41 1.80 -0.09 -0.85 0.00 0.00 174.74 176.50 1nku h ARG 89 N 1.72 0.71 -0.09 1.40 2.43 -1.95 0.40 114.38 119.00 1nku h ARG 89 Ca -0.43 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1nku h ARG 89 Cb 1.25 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1nku h ARG 89 CO 0.71 0.47 -0.12 0.78 -1.51 0.00 0.00 179.97 180.30 1nku h GLY 90 N 0.73 0.25 1.00 2.80 0.00 -2.00 -3.05 103.07 102.80 1nku h GLY 90 Ca 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1nku h GLY 90 CO -0.33 0.25 0.39 0.50 0.00 0.00 0.00 176.54 177.34 1nku h LYS 91 N -0.21 0.90 -0.94 4.80 1.57 -1.66 -2.23 116.57 118.81 1nku h LYS 91 Ca 0.01 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1nku h LYS 91 Cb 0.66 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 1nku h LYS 91 CO 0.03 0.65 0.58 0.82 -0.57 0.00 0.00 179.45 180.96 1nku h ILE 92 N 0.90 0.98 -0.54 1.86 2.04 -1.00 0.27 117.51 122.02 1nku h ILE 92 Ca 0.23 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1nku h ILE 92 Cb -0.01 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 35.95 1nku h ILE 92 CO -0.04 0.18 0.36 1.56 0.00 0.00 0.00 178.15 180.20 1nku h GLN 93 N 0.99 0.58 -0.83 2.37 4.20 -1.29 -0.55 115.11 120.57 1nku h GLN 93 Ca 0.44 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.10 1nku h GLN 93 Cb 0.33 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1nku h GLN 93 CO -0.22 0.39 0.47 0.00 -0.67 0.00 0.00 178.83 178.79 1nku h ALA 94 N 1.69 1.27 -0.82 3.87 0.00 -0.22 -2.09 119.26 122.96 1nku h ALA 94 Ca 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1nku h ALA 94 Cb 0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1nku h ALA 94 CO -0.06 0.61 0.45 0.82 0.00 0.00 0.00 179.25 181.07 1nku h ILE 95 N 1.15 1.24 -0.37 0.00 5.03 -0.77 -1.72 117.51 122.08 1nku h ILE 95 Ca 0.30 -0.60 0.04 0.00 -0.12 0.00 0.00 64.86 64.48 1nku h ILE 95 Cb -0.00 0.14 -0.04 0.00 -3.03 0.00 0.00 36.82 33.89 1nku h ILE 95 CO -0.05 0.27 0.12 0.40 -0.68 0.00 0.00 178.15 178.21 1nku h ILE 96 N 1.14 0.88 -0.78 -0.67 1.08 -1.15 -0.93 117.51 117.08 1nku h ILE 96 Ca 0.29 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.65 1nku h ILE 96 Cb 0.03 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 1nku h ILE 96 CO -0.05 0.05 0.41 1.23 -0.69 0.00 0.00 178.15 179.10 1nku h GLY 97 N 0.27 1.17 1.09 5.37 0.00 -1.24 -1.82 103.07 107.91 1nku h GLY 97 Ca 0.17 -0.53 0.03 0.00 0.00 0.00 0.00 47.33 46.99 1nku h GLY 97 CO -0.18 0.51 0.55 3.43 0.00 0.00 0.00 176.54 180.85 1nku h ASN 98 N 1.09 0.92 -0.40 0.19 -0.26 -0.31 -0.80 115.58 116.01 1nku h ASN 98 Ca 0.27 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.92 1nku h ASN 98 Cb 0.05 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 1nku h ASN 98 CO -0.04 0.64 -0.05 0.00 -1.06 0.00 0.00 177.43 176.92 1nku h ALA 99 N 1.50 0.54 -0.68 -0.83 0.00 -0.43 0.13 119.26 119.49 1nku h ALA 99 Ca 0.33 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1nku h ALA 99 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1nku h ALA 99 CO -0.09 0.37 0.32 0.00 0.00 0.00 0.00 179.25 179.85 1nku h ARG 100 N 0.55 0.98 -0.35 0.00 3.08 -0.94 -0.80 114.38 116.91 1nku h ARG 100 Ca 0.11 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1nku h ARG 100 Cb 0.55 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1nku h ARG 100 CO 0.03 0.78 -0.34 0.00 -1.07 0.00 0.00 179.97 179.37 1nku h ALA 101 N 1.15 0.73 -0.40 0.04 0.00 -1.00 -2.40 119.26 117.39 1nku h ALA 101 Ca 0.23 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nku h ALA 101 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1nku h ALA 101 CO -0.03 0.66 0.25 -0.92 0.00 0.00 0.00 179.25 179.21 1nku h TYR 102 N 0.67 0.51 -0.65 0.00 5.03 -0.27 -1.81 116.97 120.44 1nku h TYR 102 Ca 0.07 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 1nku h TYR 102 Cb 0.89 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.97 1nku h TYR 102 CO 0.05 0.34 0.30 1.25 -1.32 0.00 0.00 178.16 178.78 1nku h LEU 103 N 0.53 0.84 -0.88 2.82 5.85 -1.05 -2.14 115.31 121.28 1nku h LEU 103 Ca 0.14 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1nku h LEU 103 Cb -0.03 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1nku h LEU 103 CO -0.03 0.72 0.47 -0.61 -0.34 0.00 0.00 178.44 178.66 1nku h GLN 104 N 0.93 1.24 -0.81 1.25 4.15 -0.85 -2.14 115.11 118.88 1nku h GLN 104 Ca 0.23 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1nku h GLN 104 Cb 0.11 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.53 1nku h GLN 104 CO -0.03 0.92 0.52 0.52 -1.93 0.00 0.00 178.83 178.83 1nku h MET 105 N 1.24 1.08 -0.24 1.69 2.86 -0.68 -1.18 114.93 119.69 1nku h MET 105 Ca 0.31 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1nku h MET 105 Cb 0.05 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1nku h MET 105 CO -0.05 0.72 -0.05 1.49 1.06 0.00 0.00 176.91 180.08 1nku h GLU 106 N 1.10 0.37 -0.86 1.72 4.81 -1.18 -1.79 114.58 118.74 1nku h GLU 106 Ca 0.30 -0.08 0.15 0.00 -0.13 0.00 0.00 59.36 59.60 1nku h GLU 106 Cb -0.11 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.15 1nku h GLU 106 CO -0.06 0.44 0.56 1.96 -0.73 0.00 0.00 179.01 181.18 1nku h GLN 107 N 0.35 0.59 -0.02 1.92 4.20 -0.94 0.65 115.11 121.87 1nku h GLN 107 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1nku h GLN 107 Cb 0.32 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1nku h GLN 107 CO 0.01 0.39 -0.02 0.09 -0.67 0.00 0.00 178.83 178.63 1nku n ASN 108 N -4.54 2.02 -2.94 1.46 4.13 -0.74 -4.93 115.26 109.72 1nku n ASN 108 Ca 0.17 -1.65 -0.22 0.00 1.68 0.00 0.00 54.58 54.56 1nku n ASN 108 Cb 0.51 0.02 0.04 0.00 -1.54 0.00 0.00 39.78 38.80 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nku n GLY 109 N 1.25 -0.49 2.85 7.41 0.00 0.23 -4.94 105.19 111.49 1nku n GLY 109 Ca 0.17 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.67 2.01 0.64 1.61 2.02 -0.96 -5.01 118.70 113.33 1nku s GLU 110 Ca 0.29 -2.81 -0.18 0.00 0.02 0.00 0.00 54.97 52.29 1nku s GLU 110 Cb -0.13 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1nku s GLU 110 CO 0.36 -1.21 1.20 -2.30 0.02 0.00 0.00 175.26 173.33 1nku n PRO 111 N 2.66 1.06 -0.34 0.39 -0.02 -1.26 -4.74 135.00 132.74 1nku n PRO 111 Ca 0.14 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 62.08 1nku n PRO 111 Cb 0.35 -2.43 0.23 0.00 -0.02 0.00 0.00 33.50 31.62 1nku n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1nku h PHE 112 N 0.51 1.11 -0.85 6.00 -1.00 -1.96 -0.95 116.94 119.81 1nku h PHE 112 Ca -0.50 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.36 1nku h PHE 112 Cb 1.35 -0.36 -0.06 0.00 3.61 0.00 0.00 35.95 40.49 1nku h PHE 112 CO 0.40 0.52 0.53 0.00 -1.61 0.00 0.00 178.31 178.15 1nku h ALA 113 N 1.51 1.14 -0.34 2.45 0.00 -1.90 0.82 119.26 122.94 1nku h ALA 113 Ca 0.45 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 1nku h ALA 113 Cb 0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nku h ALA 113 CO -0.20 0.31 -0.32 0.22 0.00 0.00 0.00 179.25 179.26 1nku h ASP 114 N 0.99 0.78 -0.03 0.00 3.58 -1.55 -2.83 116.42 117.37 1nku h ASP 114 Ca 0.36 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1nku h ASP 114 Cb 0.11 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 1nku h ASP 114 CO -0.15 1.04 -0.01 0.15 -2.88 0.00 0.00 179.24 177.39 1nku h PHE 115 N 0.63 0.07 -0.84 0.28 3.57 -0.49 -2.88 116.94 117.29 1nku h PHE 115 Ca 0.07 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1nku h PHE 115 Cb 0.85 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 1nku h PHE 115 CO 0.04 0.43 0.54 -0.39 -2.23 0.00 0.00 178.31 176.71 1nku h VAL 116 N -0.32 1.16 -0.95 1.41 -1.51 -0.91 -1.63 116.25 113.50 1nku h VAL 116 Ca 0.01 -0.37 0.05 0.00 -1.23 0.00 0.00 66.70 65.16 1nku h VAL 116 Cb 0.41 -0.01 -0.06 0.00 -2.13 0.00 0.00 31.29 29.51 1nku h VAL 116 CO 0.00 0.20 0.62 -0.50 -1.23 0.00 0.00 177.57 176.66 1nku h TRP 117 N 1.07 1.14 -0.74 5.19 -0.00 -1.48 -1.54 115.95 119.58 1nku h TRP 117 Ca 0.33 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.24 1nku h TRP 117 Cb -0.03 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.16 28.71 1nku h TRP 117 CO -0.02 0.64 0.45 0.77 -0.00 0.00 0.00 178.44 180.27 1nku h SER 118 N 1.16 0.88 -0.05 -3.49 0.02 -1.08 0.93 113.55 111.93 1nku h SER 118 Ca 0.39 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1nku h SER 118 Cb 0.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1nku h SER 118 CO -0.13 0.67 0.00 -0.26 -1.14 0.00 0.00 176.83 175.98 1nku h PHE 119 N 1.02 0.14 -0.56 3.45 -1.00 -1.03 -0.47 116.94 118.48 1nku h PHE 119 Ca 0.27 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.04 1nku h PHE 119 Cb -0.05 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.47 1nku h PHE 119 CO 0.00 0.15 0.00 1.33 -1.61 0.00 0.00 178.31 178.18 1nku n VAL 120 N -4.45 2.70 -2.80 -0.55 0.24 -0.68 -4.90 118.33 107.89 1nku n VAL 120 Ca -0.01 -1.44 -0.19 0.00 -2.04 0.00 0.00 64.34 60.65 1nku n VAL 120 Cb 0.14 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.27 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 0.56 -5.52 -4.41 -1.34 2.85 -0.18 -2.37 115.26 104.84 1nku n ASN 121 Ca 0.27 -0.20 -0.39 0.00 -0.11 0.00 0.00 54.58 54.15 1nku n ASN 121 Cb 1.17 -4.40 -0.06 0.00 1.24 0.00 0.00 39.78 37.72 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 -4.29 -1.37 -3.74 1.20 -0.00 0.31 -4.89 115.22 102.45 1nku n HIS 122 Ca -0.12 0.72 -0.30 0.00 -0.00 0.00 0.00 57.72 58.02 1nku n HIS 122 Cb 0.62 -2.34 -0.15 0.00 -0.00 0.00 0.00 29.99 28.12 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 -7.14 0.77 0.46 1.57 -0.21 -1.00 -5.06 119.66 109.05 1nku s GLN 123 Ca 0.71 -1.16 -0.22 0.00 0.02 0.00 0.00 55.36 54.71 1nku s GLN 123 Cb -0.41 -2.04 -0.11 0.00 1.00 0.00 0.00 33.01 31.46 1nku s GLN 123 CO 0.99 -1.00 0.70 -2.30 -2.12 0.00 0.00 175.29 171.56 1nku n PRO 124 N 4.73 0.79 -4.25 2.91 -0.02 -1.26 -4.99 135.00 132.90 1nku n PRO 124 Ca -0.01 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 1nku n PRO 124 Cb 0.41 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 1nku n PRO 124 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nku s GLN 125 N -1.89 2.00 0.16 -0.52 -0.21 -1.02 -5.01 119.66 113.18 1nku s GLN 125 Ca 0.65 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 55.02 1nku s GLN 125 Cb -0.54 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1nku s GLN 125 CO 0.56 0.50 -0.16 -1.64 -2.12 0.00 0.00 175.29 172.43 1nku s MET 126 N -2.21 1.21 0.14 2.91 -1.94 -1.26 0.69 119.30 118.84 1nku s MET 126 Ca 0.20 -1.41 0.07 0.00 -1.71 0.00 0.00 55.69 52.85 1nku s MET 126 Cb -0.11 -1.14 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 1nku s MET 126 CO 0.13 0.22 -0.17 -0.08 -0.01 0.00 0.00 175.02 175.10 1nku s THR 127 N -2.35 1.61 -0.24 2.05 -1.32 -1.02 -4.87 115.64 109.50 1nku s THR 127 Ca 0.16 -1.77 0.14 0.00 -1.21 0.00 0.00 61.69 59.00 1nku s THR 127 Cb -0.04 -1.67 0.46 0.00 -1.51 0.00 0.00 72.50 69.75 1nku s THR 127 CO 0.05 -0.31 1.17 0.00 -2.21 0.00 0.00 174.62 173.33 1nku n GLN 128 N 0.53 2.40 -2.51 7.08 1.13 -1.26 -4.86 117.38 119.89 1nku n GLN 128 Ca -0.15 -3.62 -0.41 0.00 -1.94 0.00 0.00 57.00 50.88 1nku n GLN 128 Cb 0.56 -1.76 -0.04 0.00 0.11 0.00 0.00 30.24 29.11 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nku s ALA 129 N -3.22 3.39 0.14 -1.58 0.00 -1.26 -4.90 121.76 114.34 1nku s ALA 129 Ca 0.41 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 1nku s ALA 129 Cb 0.38 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1nku s ALA 129 CO -0.02 -0.15 1.34 1.15 0.00 0.00 0.00 175.76 178.07 1nku h THR 130 N 3.34 1.42 -3.60 0.00 2.02 -1.97 -3.32 112.91 110.80 1nku h THR 130 Ca -0.46 -2.44 -0.39 0.00 0.77 0.00 0.00 66.41 63.89 1nku h THR 130 Cb 1.21 2.38 -0.14 0.00 -1.74 0.00 0.00 68.15 69.86 1nku h THR 130 CO 0.69 0.73 -0.60 0.28 0.37 0.00 0.00 175.52 176.99 1nku s THR 131 N -3.30 0.62 0.41 3.16 -1.32 -1.26 -4.73 115.64 109.21 1nku s THR 131 Ca -0.05 -2.00 0.12 0.00 -1.21 0.00 0.00 61.69 58.55 1nku s THR 131 Cb 0.09 -2.63 0.15 0.00 -1.51 0.00 0.00 72.50 68.61 1nku s THR 131 CO 0.85 0.00 1.92 -0.07 -2.21 0.00 0.00 174.62 175.12 1nku h LEU 132 N 2.28 0.09 -1.21 9.08 3.38 -1.91 -2.88 115.31 124.15 1nku h LEU 132 Ca -0.38 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1nku h LEU 132 Cb 1.25 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1nku h LEU 132 CO 0.61 0.31 0.55 0.77 0.09 0.00 0.00 178.44 180.76 1nku h SER 133 N 0.09 0.89 0.41 -0.43 4.64 -1.99 -1.05 113.55 116.10 1nku h SER 133 Ca 0.02 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 1nku h SER 133 Cb 0.42 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1nku h SER 133 CO 0.03 0.61 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.94 1nku h GLU 134 N 1.03 0.00 -6.63 4.77 5.08 -1.92 -3.43 114.58 113.48 1nku h GLU 134 Ca 0.33 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.17 1nku h GLU 134 Cb 0.04 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.33 1nku h GLU 134 CO -0.10 0.33 0.71 0.42 -1.00 0.00 0.00 179.01 179.37 1nku s ILE 135 N -4.15 3.13 0.26 3.13 1.01 -0.40 -4.97 121.20 119.20 1nku s ILE 135 Ca -0.03 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 1nku s ILE 135 Cb 0.14 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 1nku s ILE 135 CO 0.70 0.10 1.18 -2.16 0.00 0.00 0.00 174.94 174.76 1nku s PRO 136 N 0.42 4.53 0.00 2.79 0.04 -1.26 -4.93 135.00 136.59 1nku s PRO 136 Ca 0.61 1.91 0.22 0.00 0.04 0.00 0.00 61.00 63.79 1nku s PRO 136 Cb -0.38 -3.18 0.28 0.00 0.04 0.00 0.00 34.50 31.26 1nku s PRO 136 CO 0.35 0.03 1.28 -2.37 0.04 0.00 0.00 177.00 176.34 1nku n THR 137 N 1.56 0.24 -3.00 1.26 5.66 -1.26 -4.68 114.28 114.07 1nku n THR 137 Ca 0.01 -0.62 -0.13 0.00 -3.05 0.00 0.00 64.05 60.26 1nku n THR 137 Cb 0.44 1.23 -0.03 0.00 -1.55 0.00 0.00 70.33 70.42 1nku n THR 137 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1nku n SER 138 N 1.33 -2.23 -4.83 1.09 3.41 -1.26 -4.94 113.62 106.18 1nku n SER 138 Ca 0.16 -2.75 -0.32 0.00 -0.26 0.00 0.00 58.87 55.69 1nku n SER 138 Cb 0.57 0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 65.35 1nku n SER 138 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nku s THR 139 N 0.48 4.33 0.50 6.66 -4.23 -1.26 -4.91 115.64 117.21 1nku s THR 139 Ca 0.31 1.17 0.23 0.00 -1.18 0.00 0.00 61.69 62.23 1nku s THR 139 Cb 0.04 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.64 1nku s THR 139 CO -0.12 -0.58 1.98 1.55 -0.54 0.00 0.00 174.62 176.91 1nku h PRO 140 N 0.99 0.10 -0.14 3.99 0.13 -2.00 -0.94 132.00 134.13 1nku h PRO 140 Ca -0.47 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 1nku h PRO 140 Cb 1.19 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1nku h PRO 140 CO 0.60 0.07 -0.80 0.00 -0.23 0.00 0.00 178.00 177.65 1nku h ALA 141 N 1.71 0.30 -0.79 -0.56 0.00 -1.93 -3.03 119.26 114.97 1nku h ALA 141 Ca 0.28 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1nku h ALA 141 Cb 0.95 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1nku h ALA 141 CO -0.03 0.69 0.45 0.77 0.00 0.00 0.00 179.25 181.13 1nku h SER 142 N 0.53 0.97 -0.53 0.00 0.02 -1.55 0.12 113.55 113.11 1nku h SER 142 Ca -0.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1nku h SER 142 Cb 1.43 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1nku h SER 142 CO 0.16 0.77 0.31 -0.78 -1.14 0.00 0.00 176.83 176.15 1nku h ASP 143 N 1.09 0.65 0.14 3.07 3.58 -1.48 -1.77 116.42 121.70 1nku h ASP 143 Ca 0.28 -0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 1nku h ASP 143 Cb 0.00 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1nku h ASP 143 CO -0.05 0.53 -0.34 0.00 -2.88 0.00 0.00 179.24 176.50 1nku h ALA 144 N 1.15 1.17 -0.27 -0.78 0.00 -1.32 -2.87 119.26 116.34 1nku h ALA 144 Ca 0.19 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1nku h ALA 144 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nku h ALA 144 CO -0.03 0.55 0.16 1.25 0.00 0.00 0.00 179.25 181.17 1nku h LEU 145 N 0.25 0.26 -1.17 0.00 7.12 0.06 -0.01 115.31 121.83 1nku h LEU 145 Ca 0.03 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 1nku h LEU 145 Cb 0.72 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.76 1nku h LEU 145 CO 0.05 0.19 0.36 0.77 -0.13 0.00 0.00 178.44 179.68 1nku h SER 146 N 0.33 0.84 -0.58 1.25 4.64 -1.23 -1.44 113.55 117.35 1nku h SER 146 Ca 0.10 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1nku h SER 146 Cb -0.01 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1nku h SER 146 CO -0.04 0.68 0.06 0.50 -0.87 0.00 0.00 176.83 177.16 1nku h LYS 147 N 0.94 0.99 -0.45 4.77 1.63 -1.14 -2.15 116.57 121.16 1nku h LYS 147 Ca 0.24 -0.28 -0.06 0.00 -0.85 0.00 0.00 60.65 59.70 1nku h LYS 147 Cb 0.04 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1nku h LYS 147 CO -0.04 0.95 0.05 0.00 -3.45 0.00 0.00 179.45 176.97 1nku h ALA 148 N 0.99 0.60 -0.80 5.00 0.00 -0.37 -2.61 119.26 122.08 1nku h ALA 148 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nku h ALA 148 Cb 0.47 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1nku h ALA 148 CO 0.02 0.35 0.45 -0.07 0.00 0.00 0.00 179.25 180.00 1nku h LEU 149 N 0.62 0.98 -1.29 0.00 3.38 -1.15 -1.82 115.31 116.04 1nku h LEU 149 Ca 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1nku h LEU 149 Cb 0.42 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1nku h LEU 149 CO 0.01 0.78 0.24 0.50 0.09 0.00 0.00 178.44 180.06 1nku h LYS 150 N 1.11 0.73 -0.95 1.13 3.64 -1.09 -2.36 116.57 118.79 1nku h LYS 150 Ca 0.28 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1nku h LYS 150 Cb 0.00 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1nku h LYS 150 CO -0.05 0.58 0.63 -0.22 -2.27 0.00 0.00 179.45 178.12 1nku h LYS 151 N 0.73 1.25 0.00 1.90 3.64 -0.97 -0.40 116.57 122.72 1nku h LYS 151 Ca 0.18 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1nku h LYS 151 Cb 0.10 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1nku h LYS 151 CO -0.02 0.82 -0.02 0.00 -2.27 0.00 0.00 179.45 177.96 1nku h ARG 152 N 1.28 0.00 0.00 1.90 2.47 -1.36 -3.46 114.38 115.22 1nku h ARG 152 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 1nku h ARG 152 Cb -0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1nku h ARG 152 CO -0.08 0.02 0.00 0.41 0.56 0.00 0.00 179.97 180.88 1nku n GLY 153 N -0.23 1.53 3.74 0.04 0.00 -0.16 -4.87 105.19 105.23 1nku n GLY 153 Ca -0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 3.55 0.47 1.61 0.40 -1.08 -4.85 117.98 116.09 1nku s PHE 154 Ca 0.00 0.93 0.04 0.00 -0.60 0.00 0.00 56.93 57.30 1nku s PHE 154 Cb 0.00 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 41.02 1nku s PHE 154 CO 0.00 0.24 0.66 0.15 0.70 0.00 0.00 175.22 176.97 1nku s LYS 155 N 0.35 2.78 -1.10 0.44 1.02 -1.26 -4.44 119.74 117.54 1nku s LYS 155 Ca 0.26 -0.91 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 1nku s LYS 155 Cb -0.16 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1nku s LYS 155 CO 0.11 -0.42 0.94 1.19 -0.92 0.00 0.00 175.35 176.25 1nku n PHE 156 N -2.07 -2.17 -1.32 3.18 3.72 -1.26 -4.92 117.46 112.63 1nku n PHE 156 Ca 0.06 0.84 0.07 0.00 -0.05 0.00 0.00 57.45 58.37 1nku n PHE 156 Cb 0.59 -4.58 0.18 0.00 -0.94 0.00 0.00 39.48 34.73 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 -4.15 2.09 -0.95 -4.37 0.24 -1.26 -4.65 118.33 105.28 1nku n VAL 157 Ca -0.13 -2.70 -0.35 0.00 -2.04 0.00 0.00 64.34 59.13 1nku n VAL 157 Cb 0.60 -0.25 0.07 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.23 -3.55 0.38 7.63 0.00 -1.26 -4.44 105.19 102.72 1nku n GLY 158 Ca 0.19 -0.74 0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.14 0.77 -0.75 2.61 1.03 -1.94 0.12 112.91 113.61 1nku h THR 159 Ca -0.44 -0.10 -0.03 0.00 -0.01 0.00 0.00 66.41 65.83 1nku h THR 159 Cb 1.30 0.45 -0.03 0.00 -1.07 0.00 0.00 68.15 68.80 1nku h THR 159 CO 0.28 0.05 0.33 0.74 -0.01 0.00 0.00 175.52 176.92 1nku h THR 160 N 0.29 1.25 -0.27 0.00 2.02 -1.92 -1.96 112.91 112.32 1nku h THR 160 Ca 0.34 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1nku h THR 160 Cb 0.92 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1nku h THR 160 CO -0.08 0.30 0.13 0.40 0.37 0.00 0.00 175.52 176.64 1nku h ILE 161 N 1.06 1.15 -0.92 3.11 5.03 -1.04 -2.50 117.51 123.40 1nku h ILE 161 Ca 0.25 -0.42 0.04 0.00 -0.12 0.00 0.00 64.86 64.61 1nku h ILE 161 Cb 0.16 0.94 -0.06 0.00 -3.03 0.00 0.00 36.82 34.83 1nku h ILE 161 CO -0.03 0.15 0.60 0.00 -0.68 0.00 0.00 178.15 178.19 1nku h TYR 163 N 1.14 0.56 -0.65 0.00 3.20 -1.04 -2.18 116.97 118.00 1nku h TYR 163 Ca 0.38 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 1nku h TYR 163 Cb 0.04 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1nku h TYR 163 CO -0.01 0.40 0.39 0.66 -1.64 0.00 0.00 178.16 177.96 1nku h SER 164 N 0.58 0.78 -0.45 -2.11 4.64 -0.69 -1.76 113.55 114.55 1nku h SER 164 Ca 0.15 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1nku h SER 164 Cb 0.04 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1nku h SER 164 CO -0.02 0.61 0.27 -0.26 -0.87 0.00 0.00 176.83 176.55 1nku h PHE 165 N 0.88 0.60 -0.93 4.77 0.04 -1.23 0.13 116.94 121.20 1nku h PHE 165 Ca 0.23 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.03 1nku h PHE 165 Cb -0.03 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 37.87 1nku h PHE 165 CO -0.02 0.42 0.60 0.52 -0.60 0.00 0.00 178.31 179.24 1nku h MET 166 N 0.59 1.13 -0.23 1.51 2.86 -1.24 3.36 114.93 122.92 1nku h MET 166 Ca 0.16 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1nku h MET 166 Cb 0.01 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 1nku h MET 166 CO -0.03 0.75 -0.12 0.37 1.06 0.00 0.00 176.91 178.94 1nku h GLN 167 N 1.16 0.49 0.00 1.72 5.75 -0.76 -2.17 115.11 121.31 1nku h GLN 167 Ca 0.37 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1nku h GLN 167 Cb 0.01 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 1nku h GLN 167 CO -0.12 0.76 -0.09 0.00 -2.65 0.00 0.00 178.83 176.73 1nku h ALA 168 N 0.71 0.01 -0.99 3.38 0.00 -0.18 -3.24 119.26 118.95 1nku h ALA 168 Ca 0.05 -0.22 0.25 0.00 0.00 0.00 0.00 54.91 54.99 1nku h ALA 168 Cb 0.62 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 1nku h ALA 168 CO 0.03 0.07 0.57 0.00 0.00 0.00 0.00 179.25 179.92 1nku n GLY 170 N -1.31 0.91 0.38 0.00 0.00 -0.82 -0.88 105.19 103.46 1nku n GLY 170 Ca 0.27 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.41 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 0.61 -8.80 0.99 3.38 -1.80 -3.19 115.31 106.51 1nku h LEU 171 Ca 0.00 0.05 -0.64 0.00 0.09 0.00 0.00 57.88 57.38 1nku h LEU 171 Cb 0.00 -0.07 -0.22 0.00 0.09 0.00 0.00 40.66 40.46 1nku h LEU 171 CO 0.00 0.28 -0.85 0.68 0.09 0.00 0.00 178.44 178.63 1nku s VAL 172 N -5.65 2.04 -0.55 1.22 -7.23 -1.25 -2.45 120.40 106.53 1nku s VAL 172 Ca -0.10 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.26 1nku s VAL 172 Cb 0.23 -1.81 0.09 0.00 0.56 0.00 0.00 36.38 35.44 1nku s VAL 172 CO 0.79 0.07 0.65 0.21 -0.31 0.00 0.00 175.10 176.51 1nku s ASN 173 N -1.90 6.20 -0.49 4.85 3.84 0.22 -4.80 114.94 122.85 1nku s ASN 173 Ca 0.11 -1.26 0.04 0.00 0.21 0.00 0.00 52.86 51.96 1nku s ASN 173 Cb -0.10 -2.29 0.13 0.00 -0.55 0.00 0.00 41.25 38.44 1nku s ASN 173 CO 0.05 -1.00 0.23 -1.81 -2.79 0.00 0.00 177.10 171.77 1nku s ASP 174 N 3.24 4.42 0.00 -4.21 1.01 -1.26 -2.43 116.67 117.44 1nku s ASP 174 Ca 0.12 -2.86 0.00 0.00 0.71 0.00 0.00 52.55 50.52 1nku s ASP 174 Cb -0.23 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.06 1nku s ASP 174 CO 0.08 -0.26 0.00 1.41 0.21 0.00 0.00 175.17 176.61 1nku n HIS 175 N 3.32 0.00 0.00 4.23 8.25 -1.26 -5.03 115.22 124.72 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 0.28 0.64 0.00 0.00 176.34 177.26 1nku n VAL 176 N 0.00 0.00 -1.67 1.59 0.31 -1.26 -4.67 118.33 112.62 1nku n VAL 176 Ca 0.00 0.00 -0.52 0.00 -0.01 0.00 0.00 64.34 63.81 1nku n VAL 176 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1nku n VAL 176 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1nku n VAL 177 N -0.08 0.27 -0.16 2.52 3.14 -1.25 -0.85 118.33 121.93 1nku n VAL 177 Ca 0.00 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1nku n VAL 177 Cb 0.00 -1.38 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 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 3.78 0.86 2.57 7.55 0.00 -1.03 -4.95 105.19 113.97 1nku n GLY 178 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -5.31 3.22 -0.05 0.00 5.04 -0.27 -4.97 117.35 115.02 1nku s TYR 182 Ca -0.07 -3.15 -0.01 0.00 -2.44 0.00 0.00 57.07 51.40 1nku s TYR 182 Cb 0.22 -2.84 -0.00 0.00 0.35 0.00 0.00 41.96 39.69 1nku s TYR 182 CO 0.78 -0.76 0.05 -1.00 -1.34 0.00 0.00 175.55 173.28 1nku h PRO 183 N 6.58 -0.02 0.00 4.97 0.13 -1.83 -1.88 132.00 139.94 1nku h PRO 183 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1nku h PRO 183 Cb 0.90 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1nku h PRO 183 CO 0.68 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 1nku n GLY 184 N 1.77 2.72 0.12 1.56 0.00 -1.26 -2.62 105.19 107.48 1nku n GLY 184 Ca -0.00 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 -2.01 0.00 0.00 0.00 173.32 171.31 1nku n ASN 185 N 0.00 2.20 -3.80 1.61 2.85 -1.26 -5.02 115.26 111.84 1nku n ASN 185 Ca 0.00 -2.10 -0.11 0.00 -0.11 0.00 0.00 54.58 52.27 1nku n ASN 185 Cb 0.00 -0.08 -0.08 0.00 1.24 0.00 0.00 39.78 40.87 1nku n ASN 185 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 1nku s LYS 186 N -1.17 0.78 0.00 1.20 -2.85 -1.26 -5.17 119.74 111.28 1nku s LYS 186 Ca 0.07 -0.64 0.19 0.00 -1.00 0.00 0.00 55.97 54.59 1nku s LYS 186 Cb 0.04 0.33 1.15 0.00 -2.06 0.00 0.00 37.83 37.29 1nku s LYS 186 CO 0.03 -0.25 1.54 -0.35 0.10 0.00 0.00 175.35 176.42