#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 2.60 0.17 2.12 2.02 -1.16 -5.08 118.70 119.36 1nku s GLU 2 Ca 0.00 -1.29 0.10 0.00 0.02 0.00 0.00 54.97 53.80 1nku s GLU 2 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 1nku s GLU 2 CO 0.00 0.30 -0.21 0.50 0.02 0.00 0.00 175.26 175.86 1nku s ARG 3 N -3.81 1.36 0.08 1.61 6.06 -1.24 -3.86 118.95 119.15 1nku s ARG 3 Ca 0.34 -1.42 -0.35 0.00 -2.50 0.00 0.00 55.73 51.80 1nku s ARG 3 Cb -0.06 -1.58 -0.19 0.00 0.06 0.00 0.00 34.95 33.18 1nku s ARG 3 CO 0.23 0.34 0.90 0.00 -2.50 0.00 0.00 175.30 174.27 1nku h GLY 5 N 2.40 1.14 1.33 0.00 0.00 -1.95 -0.84 103.07 105.15 1nku h GLY 5 Ca -0.43 -0.40 0.07 0.00 0.00 0.00 0.00 47.33 46.58 1nku h GLY 5 CO 0.63 0.36 0.28 1.49 0.00 0.00 0.00 176.54 179.30 1nku h TRP 6 N 1.03 0.24 -3.20 5.60 4.06 -1.92 -3.41 115.95 118.34 1nku h TRP 6 Ca 0.31 0.01 -0.53 0.00 2.06 0.00 0.00 58.89 60.74 1nku h TRP 6 Cb -0.01 -0.08 0.07 0.00 -1.00 0.00 0.00 29.16 28.14 1nku h TRP 6 CO -0.00 0.13 0.90 0.08 -3.56 0.00 0.00 178.44 175.98 1nku s VAL 7 N -5.24 2.14 -0.30 1.49 1.01 -0.32 -4.97 120.40 114.20 1nku s VAL 7 Ca -0.06 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1nku s VAL 7 Cb 0.19 -3.07 0.17 0.00 0.00 0.00 0.00 36.38 33.67 1nku s VAL 7 CO 0.72 0.02 1.03 -0.94 0.00 0.00 0.00 175.10 175.92 1nku s SER 8 N 0.62 -0.52 0.23 3.32 1.04 -1.26 -4.95 113.70 112.19 1nku s SER 8 Ca 0.65 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1nku s SER 8 Cb -0.47 1.52 0.00 0.00 0.10 0.00 0.00 66.02 67.17 1nku s SER 8 CO 0.44 -0.10 0.00 1.67 0.98 0.00 0.00 173.24 176.23 1nku n GLN 9 N 5.13 -0.06 -3.21 4.02 7.27 -1.26 -4.86 117.38 124.41 1nku n GLN 9 Ca -0.08 0.04 -0.11 0.00 0.07 0.00 0.00 57.00 56.93 1nku n GLN 9 Cb 0.53 -0.07 0.01 0.00 2.41 0.00 0.00 30.24 33.12 1nku n GLN 9 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1nku n ASP 10 N -3.81 -7.02 0.19 1.69 9.92 -1.26 -4.76 116.55 111.49 1nku n ASP 10 Ca 0.00 -0.12 0.18 0.00 -0.53 0.00 0.00 54.79 54.32 1nku n ASP 10 Cb 0.01 -4.24 0.77 0.00 -0.64 0.00 0.00 41.12 37.02 1nku n ASP 10 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1nku h PRO 11 N 0.82 0.00 -0.57 -0.24 0.11 -2.02 -0.48 132.00 129.62 1nku h PRO 11 Ca -0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 1nku h PRO 11 Cb 1.12 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1nku h PRO 11 CO 0.28 0.00 0.19 1.25 -0.21 0.00 0.00 178.00 179.52 1nku h LEU 12 N 0.00 0.77 -0.62 2.35 5.85 -1.99 -2.49 115.31 119.18 1nku h LEU 12 Ca 0.12 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1nku h LEU 12 Cb 0.93 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1nku h LEU 12 CO -0.00 0.72 0.34 0.22 -0.34 0.00 0.00 178.44 179.38 1nku h TYR 13 N 0.82 0.84 -0.93 1.25 3.20 -1.38 -2.54 116.97 118.24 1nku h TYR 13 Ca 0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1nku h TYR 13 Cb 0.21 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 1nku h TYR 13 CO 0.01 0.60 0.59 0.82 -1.64 0.00 0.00 178.16 178.54 1nku h ILE 14 N 0.84 1.25 -0.55 1.81 2.04 -1.56 0.18 117.51 121.52 1nku h ILE 14 Ca 0.22 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1nku h ILE 14 Cb 0.04 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 35.99 1nku h ILE 14 CO -0.04 0.25 0.35 0.00 0.00 0.00 0.00 178.15 178.71 1nku h ALA 15 N 1.37 0.70 -0.35 1.87 0.00 -1.24 -1.24 119.26 120.37 1nku h ALA 15 Ca 0.34 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1nku h ALA 15 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1nku h ALA 15 CO -0.07 0.09 -0.15 -0.92 0.00 0.00 0.00 179.25 178.20 1nku h TYR 16 N 0.70 0.69 0.23 0.00 3.20 -1.06 -1.34 116.97 119.39 1nku h TYR 16 Ca 0.21 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1nku h TYR 16 Cb -0.03 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1nku h TYR 16 CO -0.05 0.75 -0.19 1.25 -1.64 0.00 0.00 178.16 178.27 1nku h HIS 17 N 0.57 -0.50 -0.06 -3.82 2.76 0.47 -0.96 115.15 113.60 1nku h HIS 17 Ca 0.10 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.17 1nku h HIS 17 Cb 0.59 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1nku h HIS 17 CO 0.02 -0.29 -0.35 -0.44 -1.30 0.00 0.00 177.93 175.58 1nku h ASP 18 N -0.44 0.41 -0.82 3.26 3.32 -1.31 -3.29 116.42 117.54 1nku h ASP 18 Ca -0.01 -0.67 0.03 0.00 0.02 0.00 0.00 57.03 56.41 1nku h ASP 18 Cb 0.40 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1nku h ASP 18 CO -0.02 1.01 0.53 0.78 -1.72 0.00 0.00 179.24 179.82 1nku h ASN 19 N -0.16 0.87 0.00 6.45 2.35 -1.25 -3.46 115.58 120.38 1nku h ASN 19 Ca -0.03 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1nku h ASN 19 Cb 1.01 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1nku h ASN 19 CO 0.07 0.60 0.00 -0.62 -1.65 0.00 0.00 177.43 175.83 1nku n GLU 20 N -4.58 0.00 -2.56 0.81 -0.58 -0.37 -5.05 120.64 108.32 1nku n GLU 20 Ca 0.10 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.81 1nku n GLU 20 Cb 0.09 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.93 1nku n GLU 20 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1nku n TRP 21 N 0.00 -4.00 0.00 -0.32 -0.00 -1.25 -4.52 117.44 107.35 1nku n TRP 21 Ca 0.00 2.35 0.00 0.00 -0.00 0.00 0.00 57.50 59.85 1nku n TRP 21 Cb 0.00 -3.51 0.00 0.00 -0.00 0.00 0.00 31.31 27.80 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 1.86 0.54 3.45 5.87 0.00 -0.93 -4.87 105.19 111.10 1nku n GLY 22 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 4.37 0.14 1.61 0.11 -1.26 -4.77 120.40 118.61 1nku s VAL 23 Ca 0.00 -0.21 -0.34 0.00 -2.93 0.00 0.00 61.98 58.50 1nku s VAL 23 Cb 0.00 -3.08 -0.16 0.00 -1.53 0.00 0.00 36.38 31.61 1nku s VAL 23 CO 0.00 0.29 1.15 -2.65 -3.33 0.00 0.00 175.10 170.56 1nku n PRO 24 N 4.93 1.01 -4.82 1.54 -0.02 -1.18 -3.97 135.00 132.49 1nku n PRO 24 Ca -0.16 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 1nku n PRO 24 Cb 0.51 -1.86 -0.13 0.00 -0.02 0.00 0.00 33.50 32.00 1nku n PRO 24 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1nku s GLU 25 N -0.23 2.63 0.00 -0.52 2.02 0.14 -4.92 118.70 117.82 1nku s GLU 25 Ca 0.76 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.09 1nku s GLU 25 Cb -0.91 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 30.87 1nku s GLU 25 CO 0.52 0.60 0.47 0.25 0.02 0.00 0.00 175.26 177.11 1nku n THR 26 N 2.39 0.12 -2.69 3.63 -2.24 -1.26 -4.98 114.28 109.24 1nku n THR 26 Ca -0.17 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1nku n THR 26 Cb 0.52 1.13 -0.03 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 -0.12 6.68 0.28 3.42 1.01 -1.26 -4.89 116.67 121.79 1nku s ASP 27 Ca 0.00 0.54 -0.04 0.00 0.71 0.00 0.00 52.55 53.77 1nku s ASP 27 Cb 0.00 -2.51 0.37 0.00 1.01 0.00 0.00 42.92 41.78 1nku s ASP 27 CO 0.00 -1.07 1.94 0.28 0.21 0.00 0.00 175.17 176.53 1nku h SER 28 N 8.83 1.01 -0.10 0.27 0.02 -1.97 0.30 113.55 121.90 1nku h SER 28 Ca -0.23 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1nku h SER 28 Cb 1.07 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1nku h SER 28 CO 1.06 0.76 0.06 0.11 -1.14 0.00 0.00 176.83 177.68 1nku h LYS 29 N 1.18 0.14 -0.18 3.45 1.57 -1.99 0.73 116.57 121.47 1nku h LYS 29 Ca 0.31 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.89 1nku h LYS 29 Cb -0.09 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.20 1nku h LYS 29 CO -0.06 0.14 -0.61 0.87 -0.57 0.00 0.00 179.45 179.21 1nku h LYS 30 N 0.10 0.73 -0.21 3.15 1.79 -1.89 -2.23 116.57 118.01 1nku h LYS 30 Ca 0.04 -0.55 -0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1nku h LYS 30 Cb 0.03 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1nku h LYS 30 CO -0.01 1.17 0.12 1.25 -1.08 0.00 0.00 179.45 180.90 1nku h LEU 31 N 0.44 0.26 -0.47 2.94 5.85 -0.31 -0.74 115.31 123.29 1nku h LEU 31 Ca -0.03 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1nku h LEU 31 Cb 1.24 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1nku h LEU 31 CO 0.13 0.26 0.14 0.15 -0.34 0.00 0.00 178.44 178.78 1nku h PHE 32 N 0.24 0.77 -0.31 1.25 3.57 -0.90 -2.40 116.94 119.15 1nku h PHE 32 Ca 0.08 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1nku h PHE 32 Cb 0.05 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1nku h PHE 32 CO -0.04 0.68 0.12 1.49 -2.23 0.00 0.00 178.31 178.33 1nku h GLU 33 N 0.63 0.44 -0.50 1.11 4.81 -1.17 -2.40 114.58 117.50 1nku h GLU 33 Ca 0.15 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1nku h GLU 33 Cb 0.28 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1nku h GLU 33 CO -0.00 0.37 0.29 1.98 -0.73 0.00 0.00 179.01 180.91 1nku h MET 34 N 0.44 0.68 -0.29 1.92 4.05 -0.62 -0.95 114.93 120.16 1nku h MET 34 Ca 0.11 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 1nku h MET 34 Cb 0.10 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1nku h MET 34 CO -0.01 0.51 -0.26 0.82 0.23 0.00 0.00 176.91 178.20 1nku h ILE 35 N 0.66 1.27 -0.03 1.77 1.08 -1.31 -1.10 117.51 119.85 1nku h ILE 35 Ca 0.18 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.31 1nku h ILE 35 Cb 0.02 1.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1nku h ILE 35 CO -0.03 0.43 -0.04 0.00 -0.69 0.00 0.00 178.15 177.82 1nku h LEU 37 N -0.38 0.82 -2.07 0.00 4.07 -1.20 -2.89 115.31 113.66 1nku h LEU 37 Ca 0.01 -0.36 -0.00 0.00 0.08 0.00 0.00 57.88 57.60 1nku h LEU 37 Cb 0.54 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1nku h LEU 37 CO 0.01 1.10 -0.01 -0.33 -1.08 0.00 0.00 178.44 178.13 1nku h GLU 38 N 0.64 0.00 -0.93 1.13 3.07 -1.25 -1.64 114.58 115.60 1nku h GLU 38 Ca 0.06 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 59.07 1nku h GLU 38 Cb 0.93 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.76 1nku h GLU 38 CO 0.08 0.01 0.59 0.78 -1.40 0.00 0.00 179.01 179.08 1nku h GLY 39 N 0.04 1.35 1.64 -3.84 0.00 -1.35 0.24 103.07 101.15 1nku h GLY 39 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1nku h GLY 39 CO 0.00 0.08 0.14 1.46 0.00 0.00 0.00 176.54 178.22 1nku h GLN 40 N 0.74 0.47 -0.01 4.80 4.20 -1.44 -0.44 115.11 123.43 1nku h GLN 40 Ca 0.48 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1nku h GLN 40 Cb 0.73 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1nku h GLN 40 CO -0.24 0.39 0.26 -0.56 -0.67 0.00 0.00 178.83 178.01 1nku h GLN 41 N 0.47 0.00 -5.97 1.46 3.07 -0.61 -3.40 115.11 110.12 1nku h GLN 41 Ca 0.12 0.00 -0.75 0.00 0.09 0.00 0.00 58.65 58.11 1nku h GLN 41 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.61 1nku h GLN 41 CO -0.01 0.00 1.35 0.00 0.09 0.00 0.00 178.83 180.25 1nku n ALA 42 N -1.95 0.36 0.00 0.06 0.00 -0.18 0.33 120.51 119.14 1nku n ALA 42 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1nku n ALA 42 Cb 0.32 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 7.32 2.72 3.87 0.00 0.00 -1.26 -5.00 105.19 112.84 1nku n GLY 43 Ca 0.53 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 4.21 0.80 0.99 1.43 1.00 -5.09 118.68 122.02 1nku s LEU 44 Ca 0.00 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1nku s LEU 44 Cb 0.00 -2.64 0.07 0.00 0.03 0.00 0.00 46.19 43.66 1nku s LEU 44 CO 0.00 0.23 1.09 -0.44 0.23 0.00 0.00 176.35 177.46 1nku s SER 45 N -2.12 4.27 0.47 2.29 0.01 -1.26 -4.59 113.70 112.76 1nku s SER 45 Ca 0.29 1.79 0.13 0.00 1.31 0.00 0.00 55.95 59.47 1nku s SER 45 Cb -0.13 -2.47 1.09 0.00 0.21 0.00 0.00 66.02 64.73 1nku s SER 45 CO 0.21 -2.18 2.08 4.11 0.41 0.00 0.00 173.24 177.87 1nku h TRP 46 N -1.23 0.12 -0.78 2.43 0.09 -1.99 -2.20 115.95 112.39 1nku h TRP 46 Ca -0.44 -0.00 0.05 0.00 0.09 0.00 0.00 58.89 58.58 1nku h TRP 46 Cb 1.24 -0.04 -0.05 0.00 0.08 0.00 0.00 29.16 30.39 1nku h TRP 46 CO 0.55 0.14 0.51 0.97 0.09 0.00 0.00 178.44 180.70 1nku h ILE 47 N 0.13 1.08 -0.54 0.12 6.09 -2.01 -0.98 117.51 121.39 1nku h ILE 47 Ca 0.03 -0.31 -0.08 0.00 -1.37 0.00 0.00 64.86 63.13 1nku h ILE 47 Cb 0.09 0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.46 1nku h ILE 47 CO 0.00 0.16 -0.00 0.74 -3.07 0.00 0.00 178.15 175.98 1nku h THR 48 N 0.90 1.26 -0.71 2.19 2.02 -1.75 -2.93 112.91 113.88 1nku h THR 48 Ca 0.33 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 1nku h THR 48 Cb 0.15 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1nku h THR 48 CO -0.11 0.39 0.18 0.58 0.37 0.00 0.00 175.52 176.93 1nku h VAL 49 N 0.85 1.26 -0.29 3.16 2.07 -1.22 -2.71 116.25 119.38 1nku h VAL 49 Ca 0.16 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1nku h VAL 49 Cb 0.50 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1nku h VAL 49 CO 0.02 0.37 0.00 -0.07 0.02 0.00 0.00 177.57 177.92 1nku h LEU 50 N 1.06 -0.10 -0.04 2.57 3.38 -1.22 1.46 115.31 122.42 1nku h LEU 50 Ca 0.22 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1nku h LEU 50 Cb 0.36 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1nku h LEU 50 CO 0.00 -0.02 0.00 0.07 0.09 0.00 0.00 178.44 178.58 1nku h LYS 51 N 0.09 0.07 0.00 1.13 2.10 -1.58 -2.68 116.57 115.70 1nku h LYS 51 Ca 0.14 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.71 1nku h LYS 51 Cb 0.18 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.49 1nku h LYS 51 CO -0.23 0.33 -0.25 1.57 -2.00 0.00 0.00 179.45 178.87 1nku h LYS 52 N -0.21 0.00 -0.67 0.07 5.09 -1.23 -2.66 116.57 116.96 1nku h LYS 52 Ca 0.01 0.00 0.03 0.00 0.09 0.00 0.00 60.65 60.78 1nku h LYS 52 Cb 0.30 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.59 1nku h LYS 52 CO 0.00 0.25 0.42 -0.09 -2.09 0.00 0.00 179.45 177.94 1nku h ARG 53 N 0.00 0.80 -0.38 0.07 2.43 0.24 1.10 114.38 118.63 1nku h ARG 53 Ca -0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1nku h ARG 53 Cb 0.57 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1nku h ARG 53 CO 0.03 0.53 0.04 1.49 -1.51 0.00 0.00 179.97 180.55 1nku h GLU 54 N 0.82 0.64 -0.64 0.20 4.57 -1.28 -0.98 114.58 117.90 1nku h GLU 54 Ca 0.27 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 1nku h GLU 54 Cb 0.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1nku h GLU 54 CO -0.11 0.72 0.05 -0.97 -1.18 0.00 0.00 179.01 177.52 1nku h ASN 55 N 0.48 1.06 -0.71 1.04 -1.24 -1.23 -2.71 115.58 112.27 1nku h ASN 55 Ca 0.11 -0.28 0.02 0.00 0.71 0.00 0.00 56.30 56.86 1nku h ASN 55 Cb 0.40 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.13 1nku h ASN 55 CO 0.01 1.08 0.45 0.22 -1.29 0.00 0.00 177.43 177.90 1nku h TYR 56 N 1.01 0.85 -0.67 0.67 3.20 0.15 -1.06 116.97 121.12 1nku h TYR 56 Ca 0.19 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.14 1nku h TYR 56 Cb 0.50 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 1nku h TYR 56 CO 0.04 0.50 0.44 0.00 -1.64 0.00 0.00 178.16 177.50 1nku h ARG 57 N 0.89 0.68 -0.38 1.82 3.08 -0.87 0.37 114.38 119.97 1nku h ARG 57 Ca 0.28 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1nku h ARG 57 Cb -0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1nku h ARG 57 CO -0.09 0.45 -0.00 0.00 -1.07 0.00 0.00 179.97 179.26 1nku h ALA 58 N 1.63 1.29 0.00 0.04 0.00 -1.00 0.60 119.26 121.82 1nku h ALA 58 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nku h ALA 58 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nku h ALA 58 CO -0.09 0.48 -0.88 0.00 0.00 0.00 0.00 179.25 178.77 1nku n PHE 60 N -1.90 0.00 -0.33 0.00 3.01 0.11 -4.69 117.46 113.65 1nku n PHE 60 Ca 0.03 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.52 1nku n PHE 60 Cb 0.42 0.09 0.18 0.00 -0.01 0.00 0.00 39.48 40.16 1nku n PHE 60 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1nku h HIS 61 N 0.00 1.04 -0.80 1.38 2.76 0.08 -0.32 115.15 119.29 1nku h HIS 61 Ca 0.00 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 1nku h HIS 61 Cb 0.75 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.33 1nku h HIS 61 CO 0.00 0.47 0.52 0.37 -1.30 0.00 0.00 177.93 177.99 1nku h GLN 62 N 0.97 0.85 -0.00 5.26 4.15 -1.69 0.15 115.11 124.79 1nku h GLN 62 Ca 0.43 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1nku h GLN 62 Cb 0.32 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1nku h GLN 62 CO -0.22 0.57 -0.06 1.19 -1.93 0.00 0.00 178.83 178.37 1nku n PHE 63 N -4.48 0.00 -1.60 3.99 3.72 -0.22 -5.03 117.46 113.85 1nku n PHE 63 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1nku n PHE 63 Cb 0.20 -0.15 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1nku n PHE 63 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1nku n ASP 64 N -0.93 -8.48 0.27 4.37 2.03 0.52 -3.60 116.55 110.73 1nku n ASP 64 Ca 0.17 1.88 0.12 0.00 0.52 0.00 0.00 54.79 57.47 1nku n ASP 64 Cb 0.25 -5.17 0.74 0.00 -0.72 0.00 0.00 41.12 36.22 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nku h PRO 65 N 0.14 0.00 -0.16 -0.67 0.13 -1.85 -2.98 132.00 126.60 1nku h PRO 65 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1nku h PRO 65 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1nku h PRO 65 CO 0.00 0.08 0.07 0.28 -0.23 0.00 0.00 178.00 178.21 1nku h VAL 66 N 0.00 1.14 -0.38 1.56 2.07 -1.98 -2.45 116.25 116.21 1nku h VAL 66 Ca -0.00 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1nku h VAL 66 Cb 0.20 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1nku h VAL 66 CO 0.01 0.13 -0.02 0.11 0.02 0.00 0.00 177.57 177.82 1nku h LYS 67 N 0.13 0.61 -0.79 1.57 1.57 -1.58 -2.08 116.57 115.99 1nku h LYS 67 Ca 0.06 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1nku h LYS 67 Cb 0.14 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 1nku h LYS 67 CO -0.01 0.64 0.45 0.28 -0.57 0.00 0.00 179.45 180.25 1nku h VAL 68 N 0.57 0.94 0.00 0.50 2.07 -1.37 1.83 116.25 120.79 1nku h VAL 68 Ca 0.12 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1nku h VAL 68 Cb 0.39 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1nku h VAL 68 CO 0.02 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1nku h ALA 69 N 1.42 1.00 -0.24 1.67 0.00 -1.06 -3.09 119.26 118.97 1nku h ALA 69 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1nku h ALA 69 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nku h ALA 69 CO -0.22 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.03 1nku n ALA 70 N -1.90 2.64 -1.92 0.00 0.00 0.18 -4.81 120.51 114.69 1nku n ALA 70 Ca 0.04 -1.96 -0.30 0.00 0.00 0.00 0.00 53.44 51.22 1nku n ALA 70 Cb 0.39 -0.56 0.01 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.24 3.54 0.30 0.00 -1.94 0.57 -4.96 119.30 114.57 1nku s MET 71 Ca 0.34 0.66 0.06 0.00 -1.71 0.00 0.00 55.69 55.04 1nku s MET 71 Cb 0.26 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.96 1nku s MET 71 CO 0.10 -0.56 0.38 -0.65 -0.01 0.00 0.00 175.02 174.27 1nku s GLN 72 N -5.14 3.13 0.44 2.03 -0.21 -1.26 -4.98 119.66 113.68 1nku s GLN 72 Ca 0.54 -0.99 0.15 0.00 0.02 0.00 0.00 55.36 55.09 1nku s GLN 72 Cb -0.11 -2.76 1.07 0.00 1.00 0.00 0.00 33.01 32.22 1nku s GLN 72 CO 0.53 0.22 1.97 0.93 -2.12 0.00 0.00 175.29 176.81 1nku h GLU 73 N 1.10 0.36 -0.58 2.91 5.08 -2.01 0.35 114.58 121.79 1nku h GLU 73 Ca -0.48 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 1nku h GLU 73 Cb 1.25 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1nku h GLU 73 CO 0.57 0.24 0.20 0.93 -1.00 0.00 0.00 179.01 179.95 1nku h GLU 74 N 0.37 0.86 -0.88 2.33 3.07 -2.00 -2.22 114.58 116.10 1nku h GLU 74 Ca 0.29 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1nku h GLU 74 Cb 0.66 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 1nku h GLU 74 CO -0.08 0.73 0.48 0.22 -1.40 0.00 0.00 179.01 178.96 1nku h ASP 75 N 0.84 1.10 -0.75 1.42 1.82 -1.30 -2.03 116.42 117.52 1nku h ASP 75 Ca 0.20 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1nku h ASP 75 Cb 0.21 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 1nku h ASP 75 CO -0.01 0.88 0.38 0.58 -1.61 0.00 0.00 179.24 179.46 1nku h VAL 76 N 1.24 1.24 -0.49 2.25 2.07 -1.28 -2.01 116.25 119.26 1nku h VAL 76 Ca 0.31 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1nku h VAL 76 Cb 0.03 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1nku h VAL 76 CO -0.05 0.27 0.15 -0.33 0.02 0.00 0.00 177.57 177.64 1nku h GLU 77 N 1.04 0.72 -0.63 1.57 5.08 -1.10 -1.86 114.58 119.40 1nku h GLU 77 Ca 0.26 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1nku h GLU 77 Cb 0.09 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1nku h GLU 77 CO -0.04 0.63 0.40 -0.09 -1.00 0.00 0.00 179.01 178.91 1nku h ARG 78 N 0.71 0.77 -0.16 2.33 2.43 -0.69 -1.71 114.38 118.06 1nku h ARG 78 Ca 0.16 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1nku h ARG 78 Cb 0.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1nku h ARG 78 CO -0.01 0.51 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.51 1nku h LEU 79 N 0.79 0.37 -1.33 3.80 3.38 -1.18 -2.50 115.31 118.64 1nku h LEU 79 Ca 0.25 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1nku h LEU 79 Cb -0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1nku h LEU 79 CO -0.09 0.72 0.51 0.58 0.09 0.00 0.00 178.44 180.25 1nku h VAL 80 N 0.30 1.01 0.28 1.22 2.07 -0.51 -2.86 116.25 117.74 1nku h VAL 80 Ca 0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1nku h VAL 80 Cb 0.81 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1nku h VAL 80 CO 0.06 0.14 -0.13 -0.61 0.02 0.00 0.00 177.57 177.06 1nku h GLN 81 N 0.79 -0.36 -4.88 1.57 -0.00 -1.11 -3.42 115.11 107.70 1nku h GLN 81 Ca 0.34 0.02 -0.65 0.00 -0.00 0.00 0.00 58.65 58.37 1nku h GLN 81 Cb 0.31 0.08 -0.17 0.00 0.00 0.00 0.00 27.48 27.69 1nku h GLN 81 CO -0.12 -0.24 -0.47 -0.51 0.00 0.00 0.00 178.83 177.49 1nku s ASP 82 N -4.56 6.06 0.04 -0.69 1.01 -0.98 -4.90 116.67 112.66 1nku s ASP 82 Ca -0.05 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.11 1nku s ASP 82 Cb 0.01 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.80 1nku s ASP 82 CO 0.16 -0.12 0.00 0.00 0.21 0.00 0.00 175.17 175.42 1nku n ALA 83 N 5.11 3.00 -0.93 5.23 0.00 -1.20 -4.33 120.51 127.39 1nku n ALA 83 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1nku n ALA 83 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1nku n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 84 N 1.95 0.82 3.55 0.00 0.00 -1.26 -4.94 105.19 105.31 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 -3.23 1.07 0.21 -0.61 -4.36 -1.26 -4.94 121.20 108.08 1nku s ILE 85 Ca 0.00 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.10 1nku s ILE 85 Cb 0.00 -2.54 -0.16 0.00 1.25 0.00 0.00 42.46 41.01 1nku s ILE 85 CO 0.00 0.00 0.74 -0.38 0.24 0.00 0.00 174.94 175.54 1nku n ILE 86 N -0.91 1.80 -3.47 8.37 5.41 -1.26 -4.89 119.36 124.40 1nku n ILE 86 Ca -0.07 -0.45 -0.38 0.00 1.00 0.00 0.00 62.75 62.85 1nku n ILE 86 Cb 0.66 -0.35 -0.06 0.00 -0.71 0.00 0.00 39.64 39.18 1nku n ILE 86 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1nku s ARG 87 N -1.06 4.03 0.00 0.38 3.52 -1.26 -4.98 118.95 119.59 1nku s ARG 87 Ca 0.65 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 1nku s ARG 87 Cb -0.88 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 1nku s ARG 87 CO 0.57 0.54 0.00 -2.39 -0.81 0.00 0.00 175.30 173.21 1nku n HIS 88 N 2.38 0.00 -0.30 5.12 1.44 -1.26 -5.00 115.22 117.59 1nku n HIS 88 Ca -0.12 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.76 1nku n HIS 88 Cb 0.52 0.00 0.44 0.00 0.12 0.00 0.00 29.99 31.08 1nku n HIS 88 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 1nku h ARG 89 N 0.00 0.51 -0.63 -1.40 2.43 -1.97 0.27 114.38 113.59 1nku h ARG 89 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1nku h ARG 89 Cb 0.00 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1nku h ARG 89 CO 0.00 0.34 0.39 0.78 -1.51 0.00 0.00 179.97 179.97 1nku h GLY 90 N 0.53 0.90 1.05 2.80 0.00 -2.00 -1.49 103.07 104.86 1nku h GLY 90 Ca 0.54 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1nku h GLY 90 CO -0.28 0.35 0.17 1.70 0.00 0.00 0.00 176.54 178.48 1nku h LYS 91 N 0.85 1.11 -0.92 4.80 1.63 -0.90 -2.31 116.57 120.82 1nku h LYS 91 Ca 0.23 -0.26 0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1nku h LYS 91 Cb -0.05 -0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 31.37 1nku h LYS 91 CO -0.05 0.98 0.59 0.82 -3.45 0.00 0.00 179.45 178.34 1nku h ILE 92 N 1.04 1.07 -0.95 2.00 2.04 -0.60 0.15 117.51 122.26 1nku h ILE 92 Ca 0.22 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1nku h ILE 92 Cb 0.37 -0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 1nku h ILE 92 CO 0.00 0.20 0.62 -0.61 0.00 0.00 0.00 178.15 178.35 1nku h GLN 93 N 1.07 1.05 -0.55 2.37 5.75 -0.73 -0.30 115.11 123.77 1nku h GLN 93 Ca 0.40 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.78 1nku h GLN 93 Cb 0.16 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1nku h GLN 93 CO -0.17 0.70 0.13 0.00 -2.65 0.00 0.00 178.83 176.84 1nku h ALA 94 N 1.49 1.20 -0.40 3.38 0.00 -0.75 -2.49 119.26 121.68 1nku h ALA 94 Ca 0.42 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1nku h ALA 94 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1nku h ALA 94 CO -0.17 0.55 0.20 0.82 0.00 0.00 0.00 179.25 180.65 1nku h ILE 95 N 0.81 0.97 -0.30 0.00 1.08 -0.45 0.36 117.51 119.99 1nku h ILE 95 Ca 0.18 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1nku h ILE 95 Cb 0.30 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1nku h ILE 95 CO -0.00 0.07 0.20 0.40 -0.69 0.00 0.00 178.15 178.13 1nku h ILE 96 N 0.40 1.09 -0.72 -0.67 1.08 -1.18 -1.56 117.51 115.96 1nku h ILE 96 Ca 0.17 -0.18 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1nku h ILE 96 Cb 0.08 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 1nku h ILE 96 CO -0.12 0.09 0.22 1.23 -0.69 0.00 0.00 178.15 178.87 1nku h GLY 97 N 0.40 1.21 1.28 5.37 0.00 -0.99 -2.60 103.07 107.73 1nku h GLY 97 Ca 0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1nku h GLY 97 CO -0.02 0.68 0.35 -0.57 0.00 0.00 0.00 176.54 176.98 1nku h ASN 98 N 1.07 0.85 -0.38 0.19 -1.24 0.11 -1.47 115.58 114.71 1nku h ASN 98 Ca 0.23 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 1nku h ASN 98 Cb 0.32 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1nku h ASN 98 CO -0.01 0.70 0.05 0.00 -1.29 0.00 0.00 177.43 176.88 1nku h ALA 99 N 1.44 0.51 -0.67 1.57 0.00 -0.93 -2.03 119.26 119.15 1nku h ALA 99 Ca 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1nku h ALA 99 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1nku h ALA 99 CO -0.04 0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.73 1nku h ARG 100 N 0.48 0.99 -0.95 0.00 3.08 -1.14 -2.28 114.38 114.56 1nku h ARG 100 Ca 0.11 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1nku h ARG 100 Cb 0.38 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1nku h ARG 100 CO 0.01 0.81 0.58 0.00 -1.07 0.00 0.00 179.97 180.29 1nku h ALA 101 N 1.13 1.21 -0.24 0.04 0.00 -1.10 0.15 119.26 120.45 1nku h ALA 101 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nku h ALA 101 Cb 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nku h ALA 101 CO -0.02 0.66 0.13 -0.92 0.00 0.00 0.00 179.25 179.09 1nku h TYR 102 N 1.30 0.34 -0.45 0.00 3.20 -0.92 -2.26 116.97 118.18 1nku h TYR 102 Ca 0.34 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 1nku h TYR 102 Cb -0.06 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1nku h TYR 102 CO 0.00 0.31 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.70 1nku h LEU 103 N 0.27 0.77 -0.80 2.82 3.38 -0.98 -2.72 115.31 118.05 1nku h LEU 103 Ca 0.08 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.92 1nku h LEU 103 Cb 0.09 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1nku h LEU 103 CO -0.01 0.87 0.46 -0.61 0.09 0.00 0.00 178.44 179.24 1nku h GLN 104 N 0.72 0.79 -0.63 1.13 4.15 -0.28 -0.91 115.11 120.09 1nku h GLN 104 Ca 0.13 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 1nku h GLN 104 Cb 0.53 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1nku h GLN 104 CO 0.03 0.52 0.11 1.98 -1.93 0.00 0.00 178.83 179.55 1nku h MET 105 N 0.81 1.01 -0.32 1.69 4.05 -1.12 -2.45 114.93 118.60 1nku h MET 105 Ca 0.37 -0.25 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1nku h MET 105 Cb 0.27 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 1nku h MET 105 CO -0.21 0.92 0.06 1.49 0.23 0.00 0.00 176.91 179.40 1nku h GLU 106 N 0.95 0.47 -0.67 0.39 4.57 -0.99 -1.36 114.58 117.94 1nku h GLU 106 Ca 0.19 -0.08 0.18 0.00 -1.18 0.00 0.00 59.36 58.48 1nku h GLU 106 Cb 0.39 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1nku h GLU 106 CO 0.01 0.45 0.48 1.96 -1.18 0.00 0.00 179.01 180.73 1nku h GLN 107 N 0.47 0.06 0.00 1.92 1.08 -0.83 1.35 115.11 119.15 1nku h GLN 107 Ca 0.11 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1nku h GLN 107 Cb 0.21 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1nku h GLN 107 CO -0.00 0.04 0.00 -1.71 -0.95 0.00 0.00 178.83 176.21 1nku n ASN 108 N -4.37 0.15 -0.07 1.46 2.85 -0.52 -4.88 115.26 109.88 1nku n ASN 108 Ca 0.13 0.52 -0.01 0.00 -0.11 0.00 0.00 54.58 55.11 1nku n ASN 108 Cb 0.70 -0.56 -0.00 0.00 1.24 0.00 0.00 39.78 41.16 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nku n GLY 109 N 1.07 0.40 3.14 8.20 0.00 0.46 -5.01 105.19 113.45 1nku n GLY 109 Ca 0.06 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.88 2.14 0.20 1.61 8.01 -1.25 -5.06 118.70 121.47 1nku s GLU 110 Ca 0.00 -1.66 -0.32 0.00 0.01 0.00 0.00 54.97 53.00 1nku s GLU 110 Cb 0.00 -3.50 -0.15 0.00 -4.31 0.00 0.00 34.13 26.17 1nku s GLU 110 CO 0.00 -0.96 1.24 -2.30 0.01 0.00 0.00 175.26 173.26 1nku n PRO 111 N 4.62 1.46 -0.21 0.39 -0.02 -1.26 -4.51 135.00 135.47 1nku n PRO 111 Ca -0.05 0.52 -0.07 0.00 -2.02 0.00 0.00 63.50 61.88 1nku n PRO 111 Cb 0.42 -2.07 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 3.62 0.85 -0.41 6.00 3.57 -1.94 -2.51 116.94 126.10 1nku h PHE 112 Ca -0.44 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1nku h PHE 112 Cb 1.32 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1nku h PHE 112 CO 0.55 0.63 0.13 0.00 -2.23 0.00 0.00 178.31 177.39 1nku h ALA 113 N 1.13 0.54 -0.85 2.41 0.00 -1.89 -2.69 119.26 117.90 1nku h ALA 113 Ca 0.21 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1nku h ALA 113 Cb 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1nku h ALA 113 CO -0.03 0.19 0.56 -0.44 0.00 0.00 0.00 179.25 179.53 1nku h ASP 114 N 0.53 0.93 -0.51 0.00 3.32 -1.89 -1.86 116.42 116.95 1nku h ASP 114 Ca 0.13 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1nku h ASP 114 Cb 0.26 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1nku h ASP 114 CO -0.00 0.65 0.30 0.15 -1.72 0.00 0.00 179.24 178.61 1nku h PHE 115 N 1.09 0.56 -0.45 4.55 3.57 -1.13 0.00 116.94 125.13 1nku h PHE 115 Ca 0.33 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1nku h PHE 115 Cb -0.01 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1nku h PHE 115 CO -0.00 0.32 0.22 0.28 -2.23 0.00 0.00 178.31 176.90 1nku h VAL 116 N 0.59 1.18 -0.51 1.41 2.07 -1.15 -2.33 116.25 117.51 1nku h VAL 116 Ca 0.21 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1nku h VAL 116 Cb 0.03 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1nku h VAL 116 CO -0.10 0.20 0.21 -0.50 0.02 0.00 0.00 177.57 177.40 1nku h TRP 117 N 0.58 0.73 -0.81 1.57 4.06 -0.86 -2.40 115.95 118.82 1nku h TRP 117 Ca 0.15 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.08 1nku h TRP 117 Cb 0.11 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.00 1nku h TRP 117 CO -0.01 0.56 0.54 1.03 -3.56 0.00 0.00 178.44 177.00 1nku h SER 118 N 0.73 0.93 -0.02 -3.49 0.87 -0.46 0.96 113.55 113.06 1nku h SER 118 Ca 0.18 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1nku h SER 118 Cb 0.14 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1nku h SER 118 CO -0.02 0.67 -0.02 -0.26 -0.53 0.00 0.00 176.83 176.67 1nku h PHE 119 N 1.10 0.14 -0.56 2.24 -1.00 -1.20 -0.75 116.94 116.91 1nku h PHE 119 Ca 0.30 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 1nku h PHE 119 Cb -0.13 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.39 1nku h PHE 119 CO 0.00 0.18 0.00 1.33 -1.61 0.00 0.00 178.31 178.21 1nku n VAL 120 N -4.42 2.07 -3.34 -0.55 0.24 -0.66 -4.92 118.33 106.76 1nku n VAL 120 Ca -0.01 -1.33 -0.23 0.00 -2.04 0.00 0.00 64.34 60.73 1nku n VAL 120 Cb 0.16 0.01 0.06 0.00 -1.47 0.00 0.00 33.84 32.60 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 0.75 -6.19 -2.30 -1.34 5.15 -0.29 -1.59 115.26 109.44 1nku n ASN 121 Ca 0.25 -0.43 -0.05 0.00 -0.60 0.00 0.00 54.58 53.76 1nku n ASN 121 Cb 0.94 -4.90 -0.00 0.00 -0.53 0.00 0.00 39.78 35.29 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1nku n HIS 122 N -4.77 -1.65 -3.93 1.20 -0.00 0.32 -4.85 115.22 101.54 1nku n HIS 122 Ca -0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.35 1nku n HIS 122 Cb 0.58 -1.63 -0.14 0.00 -0.00 0.00 0.00 29.99 28.81 1nku n HIS 122 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1nku s GLN 123 N -4.66 1.73 0.42 1.57 2.00 -0.62 -5.08 119.66 115.02 1nku s GLN 123 Ca 0.00 -1.97 -0.23 0.00 -2.00 0.00 0.00 55.36 51.16 1nku s GLN 123 Cb 0.00 -3.35 -0.12 0.00 0.80 0.00 0.00 33.01 30.34 1nku s GLN 123 CO 0.00 -1.01 0.70 -2.30 -0.50 0.00 0.00 175.29 172.18 1nku n PRO 124 N 4.20 0.80 -4.28 1.67 -0.02 -1.26 -4.95 135.00 131.15 1nku n PRO 124 Ca 0.03 0.29 -0.27 0.00 -2.02 0.00 0.00 63.50 61.52 1nku n PRO 124 Cb 0.41 -1.68 -0.10 0.00 -0.02 0.00 0.00 33.50 32.11 1nku n PRO 124 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nku s GLN 125 N -1.74 2.05 0.10 -0.52 -1.52 -0.32 -5.05 119.66 112.65 1nku s GLN 125 Ca 0.64 -1.22 0.03 0.00 -1.95 0.00 0.00 55.36 52.86 1nku s GLN 125 Cb -0.59 -2.18 -0.04 0.00 -0.22 0.00 0.00 33.01 29.98 1nku s GLN 125 CO 0.57 0.45 -0.09 0.00 -0.25 0.00 0.00 175.29 175.97 1nku s MET 126 N -2.67 0.83 0.17 2.91 0.23 -1.26 -2.26 119.30 117.25 1nku s MET 126 Ca 0.24 -1.18 0.08 0.00 -1.03 0.00 0.00 55.69 53.80 1nku s MET 126 Cb -0.09 -0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 32.71 1nku s MET 126 CO 0.14 0.06 -0.18 -0.08 -2.03 0.00 0.00 175.02 172.94 1nku s THR 127 N -2.65 1.82 -0.38 3.16 -1.32 -1.08 -4.82 115.64 110.37 1nku s THR 127 Ca 0.06 -1.97 0.10 0.00 -1.21 0.00 0.00 61.69 58.67 1nku s THR 127 Cb -0.01 -1.88 0.44 0.00 -1.51 0.00 0.00 72.50 69.53 1nku s THR 127 CO -0.01 -0.36 1.05 1.67 -2.21 0.00 0.00 174.62 174.76 1nku n GLN 128 N 0.16 2.53 -2.78 7.08 7.27 -1.26 -4.89 117.38 125.50 1nku n GLN 128 Ca -0.12 -3.99 -0.42 0.00 0.07 0.00 0.00 57.00 52.54 1nku n GLN 128 Cb 0.58 -1.85 -0.03 0.00 2.41 0.00 0.00 30.24 31.34 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nku s ALA 129 N -3.39 3.31 0.13 1.69 0.00 -1.26 -4.93 121.76 117.30 1nku s ALA 129 Ca 0.40 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 1nku s ALA 129 Cb 0.42 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 1nku s ALA 129 CO -0.09 -0.38 1.43 1.15 0.00 0.00 0.00 175.76 177.88 1nku h THR 130 N 4.93 1.27 -3.02 0.00 2.02 -1.97 -3.33 112.91 112.83 1nku h THR 130 Ca -0.36 -1.67 -0.45 0.00 0.77 0.00 0.00 66.41 64.69 1nku h THR 130 Cb 1.18 1.54 -0.15 0.00 -1.74 0.00 0.00 68.15 68.98 1nku h THR 130 CO 0.79 0.55 -0.74 -0.89 0.37 0.00 0.00 175.52 175.60 1nku s THR 131 N -4.22 1.69 0.45 3.16 2.01 -1.26 -4.19 115.64 113.27 1nku s THR 131 Ca -0.11 -2.13 0.15 0.00 0.31 0.00 0.00 61.69 59.92 1nku s THR 131 Cb 0.11 -1.97 0.33 0.00 0.01 0.00 0.00 72.50 70.98 1nku s THR 131 CO 0.89 -0.55 1.98 -0.07 -0.69 0.00 0.00 174.62 176.18 1nku h LEU 132 N 2.74 0.32 -1.37 4.42 3.38 -1.96 -0.82 115.31 122.02 1nku h LEU 132 Ca -0.39 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1nku h LEU 132 Cb 1.22 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1nku h LEU 132 CO 0.60 0.19 0.47 0.28 0.09 0.00 0.00 178.44 180.07 1nku h SER 133 N 0.35 0.69 -0.11 -0.43 0.02 -1.98 -1.16 113.55 110.93 1nku h SER 133 Ca 0.27 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1nku h SER 133 Cb 0.58 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1nku h SER 133 CO -0.07 0.46 0.00 -0.33 -1.14 0.00 0.00 176.83 175.75 1nku h GLU 134 N 0.79 0.30 -6.27 3.45 4.39 -1.54 -3.41 114.58 112.30 1nku h GLU 134 Ca 0.30 -0.04 -0.55 0.00 0.34 0.00 0.00 59.36 59.40 1nku h GLU 134 Cb 0.18 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1nku h GLU 134 CO -0.09 0.32 1.04 0.42 -1.16 0.00 0.00 179.01 179.54 1nku s ILE 135 N -5.00 3.66 -1.10 3.13 1.01 -0.44 -4.86 121.20 117.60 1nku s ILE 135 Ca -0.06 0.83 0.23 0.00 0.00 0.00 0.00 60.65 61.65 1nku s ILE 135 Cb 0.16 -3.54 0.24 0.00 0.01 0.00 0.00 42.46 39.34 1nku s ILE 135 CO 0.72 -0.06 1.75 -0.81 0.00 0.00 0.00 174.94 176.54 1nku n PRO 136 N 6.85 0.08 -0.26 2.79 -0.04 -1.26 -4.84 135.00 138.32 1nku n PRO 136 Ca 0.16 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1nku n PRO 136 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1nku n PRO 136 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1nku n THR 137 N -1.45 0.00 -3.79 0.52 -2.24 -1.26 -4.77 114.28 101.29 1nku n THR 137 Ca 0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 1nku n THR 137 Cb 0.25 -0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.08 1nku n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1nku s SER 138 N -1.06 4.06 0.21 3.42 0.01 -1.26 -4.89 113.70 114.18 1nku s SER 138 Ca 0.00 -2.12 0.07 0.00 1.31 0.00 0.00 55.95 55.21 1nku s SER 138 Cb 0.00 -1.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 1nku s SER 138 CO 0.00 -0.35 0.12 0.42 0.41 0.00 0.00 173.24 173.84 1nku s THR 139 N 0.99 4.23 0.33 1.44 -4.23 -1.26 -5.01 115.64 112.12 1nku s THR 139 Ca 0.13 -1.34 0.08 0.00 -1.18 0.00 0.00 61.69 59.38 1nku s THR 139 Cb -0.20 -3.21 0.32 0.00 1.34 0.00 0.00 72.50 70.75 1nku s THR 139 CO -0.13 -0.22 1.83 -0.65 -0.54 0.00 0.00 174.62 174.91 1nku h PRO 140 N 2.09 0.71 -0.24 3.99 0.11 -2.00 -1.30 132.00 135.36 1nku h PRO 140 Ca -0.47 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.42 1nku h PRO 140 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1nku h PRO 140 CO 0.61 0.47 -0.54 0.00 -0.21 0.00 0.00 178.00 178.34 1nku h ALA 141 N 1.60 0.61 -0.71 -0.75 0.00 -1.95 -2.70 119.26 115.37 1nku h ALA 141 Ca 0.51 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 141 Cb 0.81 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1nku h ALA 141 CO -0.27 0.68 0.26 0.66 0.00 0.00 0.00 179.25 180.59 1nku h SER 142 N 0.54 1.00 -0.35 0.00 4.64 -1.65 0.72 113.55 118.45 1nku h SER 142 Ca 0.01 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1nku h SER 142 Cb 1.11 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1nku h SER 142 CO 0.11 0.91 0.03 0.44 -0.87 0.00 0.00 176.83 177.45 1nku h ASP 143 N 1.02 0.59 0.20 4.97 3.32 -1.40 -2.70 116.42 122.43 1nku h ASP 143 Ca 0.23 -0.29 -0.22 0.00 0.02 0.00 0.00 57.03 56.78 1nku h ASP 143 Cb 0.24 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1nku h ASP 143 CO -0.02 0.73 -0.87 0.00 -1.72 0.00 0.00 179.24 177.36 1nku h ALA 144 N 0.88 0.39 -0.40 3.45 0.00 -1.26 -2.84 119.26 119.49 1nku h ALA 144 Ca 0.10 -0.66 0.05 0.00 0.00 0.00 0.00 54.91 54.40 1nku h ALA 144 Cb 0.41 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1nku h ALA 144 CO 0.01 0.77 0.13 1.25 0.00 0.00 0.00 179.25 181.40 1nku h LEU 145 N 0.31 0.12 -0.82 0.00 7.12 0.54 0.16 115.31 122.74 1nku h LEU 145 Ca -0.07 0.05 -0.11 0.00 0.13 0.00 0.00 57.88 57.89 1nku h LEU 145 Cb 1.49 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.65 1nku h LEU 145 CO 0.16 0.10 -0.25 0.77 -0.13 0.00 0.00 178.44 179.09 1nku h SER 146 N 0.28 0.62 -0.61 1.25 4.64 -1.52 -2.76 113.55 115.44 1nku h SER 146 Ca 0.19 -0.22 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 1nku h SER 146 Cb 0.18 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1nku h SER 146 CO -0.20 0.85 0.12 0.50 -0.87 0.00 0.00 176.83 177.23 1nku h LYS 147 N 0.53 1.02 -0.47 4.77 3.64 -1.01 -2.35 116.57 122.70 1nku h LYS 147 Ca 0.08 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1nku h LYS 147 Cb 0.71 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1nku h LYS 147 CO 0.05 0.92 0.13 0.00 -2.27 0.00 0.00 179.45 178.29 1nku h ALA 148 N 1.16 0.61 -0.54 5.00 0.00 -0.47 -2.54 119.26 122.49 1nku h ALA 148 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1nku h ALA 148 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1nku h ALA 148 CO 0.01 0.28 0.21 -0.07 0.00 0.00 0.00 179.25 179.68 1nku h LEU 149 N 0.62 0.71 -0.61 0.00 3.38 -1.30 -2.46 115.31 115.64 1nku h LEU 149 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nku h LEU 149 Cb 0.29 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1nku h LEU 149 CO -0.00 0.64 0.39 0.50 0.09 0.00 0.00 178.44 180.05 1nku h LYS 150 N 0.77 0.81 -0.74 1.13 3.64 -1.02 -1.62 116.57 119.55 1nku h LYS 150 Ca 0.18 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1nku h LYS 150 Cb 0.16 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1nku h LYS 150 CO -0.02 0.56 0.40 0.87 -2.27 0.00 0.00 179.45 178.99 1nku h LYS 151 N 0.82 1.03 0.00 1.90 1.79 -1.14 -0.56 116.57 120.42 1nku h LYS 151 Ca 0.22 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1nku h LYS 151 Cb -0.06 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.39 1nku h LYS 151 CO -0.04 0.76 -0.01 0.00 -1.08 0.00 0.00 179.45 179.07 1nku h ARG 152 N 1.03 0.00 0.00 3.15 2.47 -1.15 -3.45 114.38 116.43 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 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1nku h ARG 152 CO -0.04 0.01 0.00 0.41 0.56 0.00 0.00 179.97 180.91 1nku n GLY 153 N -0.60 1.45 3.75 0.04 0.00 -0.22 -4.95 105.19 104.67 1nku n GLY 153 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 3.71 0.19 1.61 0.08 -0.67 -4.92 117.98 115.99 1nku s PHE 154 Ca 0.00 1.35 0.03 0.00 0.12 0.00 0.00 56.93 58.42 1nku s PHE 154 Cb 0.00 -2.73 0.03 0.00 -0.57 0.00 0.00 43.02 39.75 1nku s PHE 154 CO 0.00 0.30 0.22 1.63 -0.10 0.00 0.00 175.22 177.27 1nku n LYS 155 N 2.80 0.99 -4.03 0.44 4.76 -1.26 -4.20 118.16 117.66 1nku n LYS 155 Ca -0.04 -1.08 -0.34 0.00 -2.87 0.00 0.00 58.31 53.98 1nku n LYS 155 Cb 0.51 -0.01 -0.02 0.00 -1.84 0.00 0.00 35.03 33.67 1nku n LYS 155 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1nku n PHE 156 N -1.26 -1.52 -1.34 2.13 -1.74 -1.26 -4.84 117.46 107.63 1nku n PHE 156 Ca 0.03 0.46 0.06 0.00 -0.56 0.00 0.00 57.45 57.45 1nku n PHE 156 Cb 0.20 -3.17 0.19 0.00 1.52 0.00 0.00 39.48 38.22 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1nku n VAL 157 N -4.60 2.15 -1.17 1.97 0.24 -1.26 -4.63 118.33 111.03 1nku n VAL 157 Ca -0.22 -2.71 -0.37 0.00 -2.04 0.00 0.00 64.34 59.00 1nku n VAL 157 Cb 0.64 -0.25 0.01 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.85 0.32 7.63 0.00 -1.26 -4.54 105.19 103.30 1nku n GLY 158 Ca 0.20 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 46.27 1nku n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku h THR 159 N 0.09 0.41 -0.23 2.61 1.03 -1.96 -0.95 112.91 113.90 1nku h THR 159 Ca -0.37 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 65.87 1nku h THR 159 Cb 1.34 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 1nku h THR 159 CO 0.40 0.00 -0.50 0.71 -0.01 0.00 0.00 175.52 176.12 1nku h THR 160 N 0.00 1.30 -0.48 0.00 1.35 -1.96 -2.73 112.91 110.39 1nku h THR 160 Ca 0.04 -1.71 -0.05 0.00 -0.55 0.00 0.00 66.41 64.14 1nku h THR 160 Cb 0.27 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1nku h THR 160 CO -0.00 0.54 0.08 0.40 -0.25 0.00 0.00 175.52 176.29 1nku h ILE 161 N 0.48 1.22 -0.29 6.82 2.04 -1.47 -2.15 117.51 124.16 1nku h ILE 161 Ca 0.00 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1nku h ILE 161 Cb 1.11 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1nku h ILE 161 CO 0.11 0.30 0.10 0.00 0.00 0.00 0.00 178.15 178.66 1nku h TYR 163 N 0.31 0.59 -0.93 0.00 3.20 -1.20 0.03 116.97 118.98 1nku h TYR 163 Ca 0.09 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1nku h TYR 163 Cb 0.22 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1nku h TYR 163 CO 0.00 0.40 0.57 0.77 -1.64 0.00 0.00 178.16 178.26 1nku h SER 164 N 0.62 1.11 -0.68 -2.11 0.02 -1.19 -1.71 113.55 109.60 1nku h SER 164 Ca 0.17 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1nku h SER 164 Cb -0.04 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1nku h SER 164 CO -0.03 0.84 0.40 0.15 -1.14 0.00 0.00 176.83 177.04 1nku h PHE 165 N 1.28 0.92 -0.66 3.45 3.57 -0.09 -2.21 116.94 123.18 1nku h PHE 165 Ca 0.33 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1nku h PHE 165 Cb -0.07 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.34 1nku h PHE 165 CO 0.00 0.64 0.29 0.52 -2.23 0.00 0.00 178.31 177.53 1nku h MET 166 N 0.93 0.96 -0.75 1.11 2.86 -0.18 -0.42 114.93 119.44 1nku h MET 166 Ca 0.24 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1nku h MET 166 Cb 0.00 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 1nku h MET 166 CO -0.04 0.76 0.49 1.96 1.06 0.00 0.00 176.91 181.13 1nku h GLN 167 N 0.95 0.95 -0.19 1.72 4.20 -0.73 0.19 115.11 122.19 1nku h GLN 167 Ca 0.23 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.68 1nku h GLN 167 Cb 0.14 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1nku h GLN 167 CO -0.03 0.63 -0.68 0.00 -0.67 0.00 0.00 178.83 178.09 1nku h ALA 168 N 1.29 0.45 -0.63 3.87 0.00 -1.18 -2.45 119.26 120.61 1nku h ALA 168 Ca 0.29 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1nku h ALA 168 Cb -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1nku h ALA 168 CO -0.08 0.70 0.22 0.00 0.00 0.00 0.00 179.25 180.08 1nku n GLY 170 N -0.76 0.88 0.36 0.00 0.00 0.60 0.23 105.19 106.51 1nku n GLY 170 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1nku n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nku h LEU 171 N 0.00 0.82 -8.58 0.99 3.38 -1.87 -3.37 115.31 106.68 1nku h LEU 171 Ca 0.00 0.01 -0.69 0.00 0.09 0.00 0.00 57.88 57.29 1nku h LEU 171 Cb 0.00 -0.16 -0.30 0.00 0.09 0.00 0.00 40.66 40.29 1nku h LEU 171 CO 0.00 0.51 -0.87 0.68 0.09 0.00 0.00 178.44 178.84 1nku s VAL 172 N -5.82 2.19 -0.56 1.22 -7.23 -1.26 -1.18 120.40 107.76 1nku s VAL 172 Ca -0.11 -1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.84 1nku s VAL 172 Cb 0.20 -1.79 0.09 0.00 0.56 0.00 0.00 36.38 35.45 1nku s VAL 172 CO 0.79 0.57 0.65 0.21 -0.31 0.00 0.00 175.10 177.02 1nku s ASN 173 N -0.38 6.19 -0.48 4.85 2.47 -0.96 -4.82 114.94 121.81 1nku s ASN 173 Ca 0.03 -1.34 0.04 0.00 0.42 0.00 0.00 52.86 52.00 1nku s ASN 173 Cb -0.12 -2.29 0.13 0.00 -1.45 0.00 0.00 41.25 37.52 1nku s ASN 173 CO 0.02 -1.02 0.22 1.51 -3.72 0.00 0.00 177.10 174.11 1nku s ASP 174 N 3.37 4.32 0.00 -4.21 -4.77 -1.26 -2.64 116.67 111.47 1nku s ASP 174 Ca 0.11 -2.82 0.00 0.00 -3.30 0.00 0.00 52.55 46.54 1nku s ASP 174 Cb -0.24 -1.57 0.00 0.00 -1.09 0.00 0.00 42.92 40.02 1nku s ASP 174 CO 0.07 -0.26 0.57 1.41 0.70 0.00 0.00 175.17 177.66 1nku n HIS 175 N 3.36 0.00 -0.95 2.11 8.25 -1.26 -5.04 115.22 121.68 1nku n HIS 175 Ca 0.05 -0.15 0.12 0.00 -0.26 0.00 0.00 57.72 57.48 1nku n HIS 175 Cb 0.34 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.15 -0.35 -3.17 1.59 3.14 -1.26 -4.36 118.33 113.77 1nku n VAL 176 Ca 0.00 0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 61.49 1nku n VAL 176 Cb 0.16 -0.82 -0.06 0.00 -1.06 0.00 0.00 33.84 32.07 1nku n VAL 176 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1nku s VAL 177 N -3.41 4.72 0.00 1.55 1.01 -1.25 -3.77 120.40 119.24 1nku s VAL 177 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1nku s VAL 177 Cb 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1nku s VAL 177 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1nku n GLY 178 N 1.98 0.38 0.00 4.51 0.00 -1.25 -4.90 105.19 105.92 1nku n GLY 178 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.28 3.13 0.00 0.00 5.04 -1.26 -4.97 117.35 114.01 1nku s TYR 182 Ca -0.08 -3.14 0.00 0.00 -2.44 0.00 0.00 57.07 51.41 1nku s TYR 182 Cb 0.16 -2.48 0.00 0.00 0.35 0.00 0.00 41.96 39.99 1nku s TYR 182 CO 0.76 -0.63 0.00 -0.35 -1.34 0.00 0.00 175.55 173.99 1nku n PRO 183 N 2.39 0.00 0.00 4.97 -0.04 -1.25 -3.85 135.00 137.22 1nku n PRO 183 Ca 0.17 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1nku n PRO 183 Cb 0.36 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1nku n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nku n GLY 184 N 2.04 1.74 0.53 0.55 0.00 -1.26 -4.65 105.19 104.14 1nku n GLY 184 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 1.63 -4.73 1.61 2.85 -1.26 -4.85 115.26 110.51 1nku n ASN 185 Ca 0.00 -1.61 -0.25 0.00 -0.11 0.00 0.00 54.58 52.62 1nku n ASN 185 Cb 0.00 -0.05 -0.06 0.00 1.24 0.00 0.00 39.78 40.91 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1nku s LYS 186 N -1.90 2.63 0.00 1.20 1.02 -1.26 -5.25 119.74 116.17 1nku s LYS 186 Ca 0.35 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1nku s LYS 186 Cb 0.19 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1nku s LYS 186 CO 0.30 0.43 0.00 -2.30 -0.92 0.00 0.00 175.35 172.87