#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 3.08 0.31 0.03 -1.05 -1.26 -5.10 118.70 114.70 1nku s GLU 2 Ca 0.00 -0.77 0.07 0.00 -0.15 0.00 0.00 54.97 54.12 1nku s GLU 2 Cb 0.00 -2.76 -0.02 0.00 -0.44 0.00 0.00 34.13 30.91 1nku s GLU 2 CO 0.00 0.50 0.32 1.03 0.95 0.00 0.00 175.26 178.07 1nku s ARG 3 N -3.08 2.94 0.67 -4.83 1.81 -1.26 -4.34 118.95 110.87 1nku s ARG 3 Ca 0.32 -1.12 -0.16 0.00 -1.72 0.00 0.00 55.73 53.06 1nku s ARG 3 Cb -0.11 -2.63 0.01 0.00 -0.45 0.00 0.00 34.95 31.78 1nku s ARG 3 CO 0.25 0.19 1.16 0.00 -0.68 0.00 0.00 175.30 176.22 1nku h GLY 5 N 0.07 0.00 0.27 0.00 0.00 -1.98 -3.07 103.07 98.36 1nku h GLY 5 Ca -0.48 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.01 1nku h GLY 5 CO 0.52 0.00 0.62 1.49 0.00 0.00 0.00 176.54 179.18 1nku h TRP 6 N 0.00 1.11 0.00 5.60 4.06 -1.95 -3.38 115.95 121.38 1nku h TRP 6 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1nku h TRP 6 Cb 0.37 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1nku h TRP 6 CO 0.00 0.33 0.00 1.55 -3.56 0.00 0.00 178.44 176.76 1nku n VAL 7 N -4.70 0.00 -0.86 1.49 3.14 -1.16 -5.01 118.33 111.23 1nku n VAL 7 Ca 0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 1nku n VAL 7 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 1nku n VAL 7 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1nku n SER 8 N 0.00 -2.14 -3.70 6.55 3.41 -1.26 -4.65 113.62 111.82 1nku n SER 8 Ca 0.00 0.03 -0.27 0.00 -0.26 0.00 0.00 58.87 58.37 1nku n SER 8 Cb 0.00 -1.08 0.04 0.00 -0.26 0.00 0.00 64.21 62.90 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 0.04 -5.79 -2.73 4.33 6.02 -1.26 -4.87 117.38 113.11 1nku n GLN 9 Ca 0.00 0.67 -0.08 0.00 -0.01 0.00 0.00 57.00 57.57 1nku n GLN 9 Cb 0.00 -5.58 0.08 0.00 1.02 0.00 0.00 30.24 25.76 1nku n GLN 9 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1nku n ASP 10 N -2.79 -2.43 -0.20 1.08 8.00 -1.26 -5.00 116.55 113.96 1nku n ASP 10 Ca 0.02 -3.50 0.23 0.00 0.71 0.00 0.00 54.79 52.25 1nku n ASP 10 Cb 0.54 1.86 0.62 0.00 -0.02 0.00 0.00 41.12 44.12 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 3.21 0.19 -0.72 -0.24 0.13 -1.97 0.17 132.00 132.78 1nku h PRO 11 Ca -0.12 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.93 1nku h PRO 11 Cb 1.09 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1nku h PRO 11 CO 0.17 0.13 0.20 1.25 -0.23 0.00 0.00 178.00 179.52 1nku h LEU 12 N 0.20 1.07 -0.52 1.56 5.85 -2.01 -2.68 115.31 118.79 1nku h LEU 12 Ca 0.44 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 1nku h LEU 12 Cb 1.40 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1nku h LEU 12 CO -0.09 1.01 0.08 0.22 -0.34 0.00 0.00 178.44 179.31 1nku h TYR 13 N 1.09 0.91 -0.79 1.25 3.20 -1.07 -2.63 116.97 118.94 1nku h TYR 13 Ca 0.23 -0.13 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1nku h TYR 13 Cb 0.33 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 1nku h TYR 13 CO 0.03 0.83 0.47 0.82 -1.64 0.00 0.00 178.16 178.66 1nku h ILE 14 N 0.74 0.99 -0.61 1.81 2.04 -1.17 0.52 117.51 121.83 1nku h ILE 14 Ca 0.16 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1nku h ILE 14 Cb 0.41 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1nku h ILE 14 CO 0.01 0.15 0.38 0.00 0.00 0.00 0.00 178.15 178.70 1nku h ALA 15 N 1.39 0.79 -0.76 1.87 0.00 -1.24 -0.02 119.26 121.28 1nku h ALA 15 Ca 0.35 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1nku h ALA 15 Cb 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1nku h ALA 15 CO -0.19 0.14 0.32 -0.92 0.00 0.00 0.00 179.25 178.60 1nku h TYR 16 N 0.76 1.14 -0.22 0.00 3.20 -0.65 1.93 116.97 123.12 1nku h TYR 16 Ca 0.24 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.05 1nku h TYR 16 Cb -0.01 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 1nku h TYR 16 CO -0.05 0.85 0.11 1.25 -1.64 0.00 0.00 178.16 178.68 1nku h HIS 17 N 1.10 0.20 0.19 -3.82 2.76 0.15 -1.49 115.15 114.24 1nku h HIS 17 Ca 0.26 0.01 -0.32 0.00 -2.20 0.00 0.00 60.37 58.12 1nku h HIS 17 Cb 0.18 -0.06 0.02 0.00 1.55 0.00 0.00 27.41 29.10 1nku h HIS 17 CO 0.02 0.11 -1.51 -0.44 -1.30 0.00 0.00 177.93 174.81 1nku h ASP 18 N 0.23 0.62 -0.78 3.26 3.32 -0.71 -3.29 116.42 119.08 1nku h ASP 18 Ca 0.09 -0.92 0.09 0.00 0.02 0.00 0.00 57.03 56.31 1nku h ASP 18 Cb 0.03 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.30 1nku h ASP 18 CO -0.07 1.69 0.43 -1.13 -1.72 0.00 0.00 179.24 178.45 1nku h ASN 19 N -0.02 0.60 -0.03 6.45 -1.24 0.31 -3.43 115.58 118.22 1nku h ASN 19 Ca -0.29 0.05 0.29 0.00 0.71 0.00 0.00 56.30 57.05 1nku h ASN 19 Cb 2.00 -0.06 -0.19 0.00 0.73 0.00 0.00 38.32 40.80 1nku h ASN 19 CO 0.18 0.34 0.18 -1.83 -1.29 0.00 0.00 177.43 175.01 1nku s GLU 20 N -6.04 0.02 -0.30 6.67 -1.05 -0.57 -5.04 118.70 112.39 1nku s GLU 20 Ca -0.12 0.02 -0.03 0.00 -0.15 0.00 0.00 54.97 54.69 1nku s GLU 20 Cb 0.19 0.01 0.19 0.00 -0.44 0.00 0.00 34.13 34.08 1nku s GLU 20 CO 0.77 -0.03 0.72 -0.46 0.95 0.00 0.00 175.26 177.22 1nku s TRP 21 N 3.00 -1.36 0.00 4.83 -0.00 -1.24 -4.68 118.94 119.48 1nku s TRP 21 Ca 0.15 1.28 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 1nku s TRP 21 Cb -0.03 0.42 0.00 0.00 -0.00 0.00 0.00 33.47 33.86 1nku s TRP 21 CO -0.16 -0.76 0.00 0.41 -0.00 0.00 0.00 176.95 176.45 1nku n GLY 22 N 5.42 0.38 3.64 5.86 0.00 -1.14 -4.96 105.19 114.39 1nku n GLY 22 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1nku n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nku s VAL 23 N -2.01 4.18 -0.05 1.61 -7.23 -1.26 -4.48 120.40 111.16 1nku s VAL 23 Ca 0.00 1.37 -0.37 0.00 -1.81 0.00 0.00 61.98 61.16 1nku s VAL 23 Cb 0.00 -4.11 -0.15 0.00 0.56 0.00 0.00 36.38 32.68 1nku s VAL 23 CO 0.00 -0.37 1.56 -2.65 -0.31 0.00 0.00 175.10 173.33 1nku n PRO 24 N 7.10 1.37 -4.79 4.82 -0.02 -1.25 -4.00 135.00 138.24 1nku n PRO 24 Ca 0.14 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 1nku n PRO 24 Cb 0.46 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 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 1.94 3.33 0.00 -0.52 2.02 -0.56 -4.96 118.70 119.95 1nku s GLU 25 Ca 0.89 -0.72 0.08 0.00 0.02 0.00 0.00 54.97 55.24 1nku s GLU 25 Cb -0.93 -2.60 0.05 0.00 0.10 0.00 0.00 34.13 30.75 1nku s GLU 25 CO 0.53 0.18 0.71 0.25 0.02 0.00 0.00 175.26 176.94 1nku n THR 26 N 3.61 0.00 -2.88 3.63 -2.24 -1.26 -4.94 114.28 110.19 1nku n THR 26 Ca -0.18 -0.49 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1nku n THR 26 Cb 0.53 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.70 7.02 0.40 3.42 1.01 -1.26 -4.91 116.67 121.64 1nku s ASP 27 Ca 0.08 1.25 0.09 0.00 0.71 0.00 0.00 52.55 54.68 1nku s ASP 27 Cb 0.06 -2.46 0.82 0.00 1.01 0.00 0.00 42.92 42.34 1nku s ASP 27 CO 0.11 -0.35 1.95 0.77 0.21 0.00 0.00 175.17 177.86 1nku h SER 28 N 7.17 0.25 0.35 0.27 4.64 -1.98 0.11 113.55 124.37 1nku h SER 28 Ca -0.32 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.94 1nku h SER 28 Cb 1.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1nku h SER 28 CO 0.82 0.36 -0.17 0.11 -0.87 0.00 0.00 176.83 177.08 1nku h LYS 29 N 0.26 -0.45 -0.59 4.77 1.57 -1.99 0.14 116.57 120.28 1nku h LYS 29 Ca 0.06 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1nku h LYS 29 Cb 0.30 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1nku h LYS 29 CO 0.01 -0.21 0.12 0.87 -0.57 0.00 0.00 179.45 179.67 1nku h LYS 30 N -0.63 0.93 -0.20 3.15 1.57 -1.93 -1.99 116.57 117.47 1nku h LYS 30 Ca -0.05 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1nku h LYS 30 Cb 0.46 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1nku h LYS 30 CO 0.08 0.85 0.07 1.25 -0.57 0.00 0.00 179.45 181.13 1nku h LEU 31 N 0.89 0.28 -0.73 2.94 5.85 -0.80 -2.31 115.31 121.43 1nku h LEU 31 Ca 0.19 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1nku h LEU 31 Cb 0.36 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1nku h LEU 31 CO 0.00 0.38 0.39 0.15 -0.34 0.00 0.00 178.44 179.03 1nku h PHE 32 N 0.16 1.01 -0.18 1.25 3.57 -0.55 -2.00 116.94 120.20 1nku h PHE 32 Ca 0.06 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1nku h PHE 32 Cb 0.20 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1nku h PHE 32 CO -0.01 0.72 0.07 1.49 -2.23 0.00 0.00 178.31 178.35 1nku h GLU 33 N 1.01 0.25 -0.05 1.11 4.57 -1.17 -2.77 114.58 117.53 1nku h GLU 33 Ca 0.26 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1nku h GLU 33 Cb 0.05 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1nku h GLU 33 CO -0.04 0.22 -0.01 1.98 -1.18 0.00 0.00 179.01 179.98 1nku h MET 34 N 0.25 0.10 -0.18 1.92 4.05 -0.79 -2.77 114.93 117.51 1nku h MET 34 Ca 0.06 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 1nku h MET 34 Cb 0.06 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1nku h MET 34 CO -0.01 0.42 -0.16 0.97 0.23 0.00 0.00 176.91 178.37 1nku h ILE 35 N -0.23 1.20 -0.30 1.77 6.09 -1.35 -2.74 117.51 121.96 1nku h ILE 35 Ca 0.01 -0.92 -0.10 0.00 -1.37 0.00 0.00 64.86 62.48 1nku h ILE 35 Cb 0.38 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 1nku h ILE 35 CO 0.00 0.29 -0.22 0.00 -3.07 0.00 0.00 178.15 175.15 1nku h LEU 37 N 0.43 0.83 -1.77 0.00 3.38 -1.34 -2.33 115.31 114.51 1nku h LEU 37 Ca 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1nku h LEU 37 Cb 0.77 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1nku h LEU 37 CO 0.06 0.80 -0.14 -0.33 0.09 0.00 0.00 178.44 178.92 1nku h GLU 38 N 0.86 0.00 -1.00 1.13 4.39 -1.41 -2.63 114.58 115.92 1nku h GLU 38 Ca 0.19 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.12 1nku h GLU 38 Cb 0.29 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.84 1nku h GLU 38 CO -0.00 0.14 0.63 0.78 -1.16 0.00 0.00 179.01 179.39 1nku h GLY 39 N 0.46 1.44 1.84 -3.84 0.00 -1.30 0.56 103.07 102.25 1nku h GLY 39 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1nku h GLY 39 CO 0.02 -0.10 -0.01 1.46 0.00 0.00 0.00 176.54 177.91 1nku h GLN 40 N 0.55 0.20 -0.87 4.80 4.20 -1.62 -1.99 115.11 120.38 1nku h GLN 40 Ca 0.57 -0.03 0.21 0.00 0.06 0.00 0.00 58.65 59.47 1nku h GLN 40 Cb 1.20 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.88 1nku h GLN 40 CO -0.33 0.24 0.59 0.37 -0.67 0.00 0.00 178.83 179.03 1nku h GLN 41 N 0.20 0.28 -5.97 1.46 4.15 -0.00 -3.37 115.11 111.86 1nku h GLN 41 Ca 0.05 -0.02 -0.73 0.00 0.77 0.00 0.00 58.65 58.72 1nku h GLN 41 Cb 0.16 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1nku h GLN 41 CO 0.00 0.19 1.36 0.00 -1.93 0.00 0.00 178.83 178.45 1nku n ALA 42 N -2.57 0.48 0.00 3.38 0.00 -0.75 0.37 120.51 121.42 1nku n ALA 42 Ca 0.18 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1nku n ALA 42 Cb 0.75 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 7.19 2.99 0.00 0.00 0.00 -1.26 -4.99 105.19 109.12 1nku n GLY 43 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1nku n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nku n LEU 44 N 0.00 0.00 -4.32 0.99 4.77 1.17 -5.16 117.00 114.45 1nku n LEU 44 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1nku n LEU 44 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1nku n LEU 44 CO 0.00 -0.01 -0.50 -0.44 -1.33 0.00 0.00 177.39 175.11 1nku s SER 45 N 0.24 2.67 0.45 -1.43 0.01 -1.26 -4.82 113.70 109.56 1nku s SER 45 Ca 0.00 -0.79 0.14 0.00 1.31 0.00 0.00 55.95 56.61 1nku s SER 45 Cb 0.00 -0.16 1.05 0.00 0.21 0.00 0.00 66.02 67.13 1nku s SER 45 CO 0.00 0.01 2.01 4.11 0.41 0.00 0.00 173.24 179.78 1nku h TRP 46 N 3.58 0.37 -0.91 2.43 0.09 -1.97 -0.91 115.95 118.63 1nku h TRP 46 Ca -0.44 0.01 0.02 0.00 0.09 0.00 0.00 58.89 58.57 1nku h TRP 46 Cb 1.20 -0.12 -0.05 0.00 0.08 0.00 0.00 29.16 30.27 1nku h TRP 46 CO 0.65 0.19 0.60 0.97 0.09 0.00 0.00 178.44 180.94 1nku h ILE 47 N 0.36 1.20 -0.13 0.12 -0.00 -2.02 -1.65 117.51 115.40 1nku h ILE 47 Ca 0.23 -0.41 -0.16 0.00 -0.00 0.00 0.00 64.86 64.51 1nku h ILE 47 Cb 0.42 -0.11 -0.01 0.00 -0.00 0.00 0.00 36.82 37.13 1nku h ILE 47 CO -0.05 0.22 -0.62 0.74 -0.00 0.00 0.00 178.15 178.44 1nku h THR 48 N 1.20 1.35 -0.69 2.19 2.02 -1.60 -3.15 112.91 114.23 1nku h THR 48 Ca 0.35 -1.93 0.01 0.00 0.77 0.00 0.00 66.41 65.60 1nku h THR 48 Cb -0.08 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1nku h THR 48 CO -0.09 0.59 0.46 0.58 0.37 0.00 0.00 175.52 177.42 1nku h VAL 49 N 0.33 1.17 -0.58 3.16 2.07 -0.57 -2.54 116.25 119.29 1nku h VAL 49 Ca -0.01 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1nku h VAL 49 Cb 1.16 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 1nku h VAL 49 CO 0.11 0.17 0.27 -0.07 0.02 0.00 0.00 177.57 178.07 1nku h LEU 50 N 0.93 0.36 0.07 2.57 3.38 -1.37 1.59 115.31 122.83 1nku h LEU 50 Ca 0.26 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1nku h LEU 50 Cb -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1nku h LEU 50 CO -0.06 0.23 -0.03 0.11 0.09 0.00 0.00 178.44 178.78 1nku h LYS 51 N 0.51 -0.09 -0.10 1.13 1.57 -1.60 -2.42 116.57 115.56 1nku h LYS 51 Ca 0.27 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1nku h LYS 51 Cb 0.24 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1nku h LYS 51 CO -0.22 0.09 -0.15 0.87 -0.57 0.00 0.00 179.45 179.47 1nku h LYS 52 N -0.26 0.16 -0.71 3.15 1.79 -1.20 -2.55 116.57 116.97 1nku h LYS 52 Ca -0.01 -0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.52 1nku h LYS 52 Cb 0.22 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.77 1nku h LYS 52 CO 0.02 0.32 0.34 -0.09 -1.08 0.00 0.00 179.45 178.95 1nku h ARG 53 N 0.16 0.56 -0.29 3.15 2.43 0.28 1.07 114.38 121.74 1nku h ARG 53 Ca 0.03 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1nku h ARG 53 Cb 0.36 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1nku h ARG 53 CO 0.02 0.37 -0.23 0.93 -1.51 0.00 0.00 179.97 179.55 1nku h GLU 54 N 0.58 0.66 -0.60 0.20 5.08 -1.24 -2.48 114.58 116.78 1nku h GLU 54 Ca 0.35 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1nku h GLU 54 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1nku h GLU 54 CO -0.28 0.93 0.01 -0.91 -1.00 0.00 0.00 179.01 177.76 1nku h ASN 55 N 0.40 1.02 -0.62 1.42 -0.26 -1.13 -2.61 115.58 113.80 1nku h ASN 55 Ca 0.05 -0.28 0.03 0.00 -0.56 0.00 0.00 56.30 55.54 1nku h ASN 55 Cb 0.79 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.73 1nku h ASN 55 CO 0.06 1.07 0.37 0.22 -1.06 0.00 0.00 177.43 178.10 1nku h TYR 56 N 0.96 0.70 -0.18 1.19 3.20 0.12 -0.74 116.97 122.22 1nku h TYR 56 Ca 0.17 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1nku h TYR 56 Cb 0.54 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1nku h TYR 56 CO 0.04 0.39 -0.04 0.00 -1.64 0.00 0.00 178.16 176.91 1nku h ARG 57 N 0.73 0.27 -0.84 1.82 3.08 -1.21 0.17 114.38 118.40 1nku h ARG 57 Ca 0.25 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1nku h ARG 57 Cb 0.04 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1nku h ARG 57 CO -0.11 0.33 0.55 0.00 -1.07 0.00 0.00 179.97 179.67 1nku h ALA 58 N 1.70 1.07 0.08 0.04 0.00 -0.76 0.30 119.26 121.69 1nku h ALA 58 Ca 0.06 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1nku h ALA 58 Cb 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1nku h ALA 58 CO 0.01 0.49 -2.05 0.00 0.00 0.00 0.00 179.25 177.69 1nku h PHE 60 N -0.12 0.56 -0.98 0.00 0.04 -0.72 -3.37 116.94 112.34 1nku h PHE 60 Ca -0.47 -0.41 0.17 0.00 2.80 0.00 0.00 57.97 60.06 1nku h PHE 60 Cb 1.90 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 39.93 1nku h PHE 60 CO 0.06 1.56 0.59 1.25 -0.60 0.00 0.00 178.31 181.17 1nku h HIS 61 N 0.08 1.05 -0.96 -0.55 2.76 -1.02 -0.47 115.15 116.04 1nku h HIS 61 Ca -0.32 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 57.92 1nku h HIS 61 Cb 2.06 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 30.64 1nku h HIS 61 CO 0.08 0.29 0.63 -0.56 -1.30 0.00 0.00 177.93 177.07 1nku h GLN 62 N 0.81 1.20 0.00 5.26 3.07 -1.72 -1.22 115.11 122.50 1nku h GLN 62 Ca 0.54 -0.07 -0.04 0.00 0.09 0.00 0.00 58.65 59.17 1nku h GLN 62 Cb 0.76 -0.27 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 1nku h GLN 62 CO -0.35 0.79 -0.19 0.74 0.09 0.00 0.00 178.83 179.92 1nku h PHE 63 N 1.23 0.00 -1.73 0.06 0.04 -1.27 -3.49 116.94 111.78 1nku h PHE 63 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 1nku h PHE 63 Cb -0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1nku h PHE 63 CO -0.01 0.19 -0.44 -3.47 -0.60 0.00 0.00 178.31 173.98 1nku n ASP 64 N -3.58 -4.07 0.12 2.17 2.03 -0.46 -3.72 116.55 109.04 1nku n ASP 64 Ca -0.01 0.80 0.14 0.00 0.52 0.00 0.00 54.79 56.24 1nku n ASP 64 Cb 0.33 -1.79 0.66 0.00 -0.72 0.00 0.00 41.12 39.60 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 0.25 0.00 -0.18 -0.67 0.13 -1.87 -2.54 132.00 127.13 1nku h PRO 65 Ca 0.00 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nku h PRO 65 Cb 0.34 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1nku h PRO 65 CO 0.00 0.00 0.10 0.28 -0.23 0.00 0.00 178.00 178.15 1nku h VAL 66 N 0.00 1.10 -0.05 1.56 2.07 -2.00 -2.22 116.25 116.71 1nku h VAL 66 Ca 0.13 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1nku h VAL 66 Cb 0.54 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1nku h VAL 66 CO -0.00 0.09 -0.36 0.11 0.02 0.00 0.00 177.57 177.43 1nku h LYS 67 N 0.19 0.11 -0.68 1.57 1.57 -1.54 -2.49 116.57 115.30 1nku h LYS 67 Ca 0.06 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1nku h LYS 67 Cb 0.06 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 1nku h LYS 67 CO -0.01 0.46 0.36 0.28 -0.57 0.00 0.00 179.45 179.97 1nku h VAL 68 N 0.09 0.92 0.00 0.50 2.07 -1.06 2.17 116.25 120.95 1nku h VAL 68 Ca 0.01 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1nku h VAL 68 Cb 0.69 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1nku h VAL 68 CO 0.05 0.12 -0.23 0.00 0.02 0.00 0.00 177.57 177.53 1nku h ALA 69 N 1.37 0.93 -0.61 1.67 0.00 -1.29 -2.73 119.26 118.60 1nku h ALA 69 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nku h ALA 69 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nku h ALA 69 CO -0.21 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1nku n ALA 70 N -2.19 2.40 -1.78 0.00 0.00 0.93 -4.85 120.51 115.02 1nku n ALA 70 Ca 0.01 -1.14 -0.36 0.00 0.00 0.00 0.00 53.44 51.95 1nku n ALA 70 Cb 0.51 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 1nku n ALA 70 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nku s MET 71 N -1.19 4.17 0.37 0.00 -1.94 0.70 -4.98 119.30 116.43 1nku s MET 71 Ca 0.44 1.48 0.06 0.00 -1.71 0.00 0.00 55.69 55.96 1nku s MET 71 Cb 0.24 -2.52 -0.00 0.00 2.01 0.00 0.00 34.83 34.56 1nku s MET 71 CO 0.31 -0.13 0.52 -1.14 -0.01 0.00 0.00 175.02 174.57 1nku s GLN 72 N -2.54 3.03 0.36 2.03 2.00 -1.26 -4.98 119.66 118.29 1nku s GLN 72 Ca 0.58 -1.00 0.04 0.00 -2.00 0.00 0.00 55.36 52.98 1nku s GLN 72 Cb -0.21 -2.77 0.67 0.00 0.80 0.00 0.00 33.01 31.50 1nku s GLN 72 CO 0.26 -0.07 1.96 0.93 -0.50 0.00 0.00 175.29 177.87 1nku h GLU 73 N 0.76 0.63 -0.49 1.67 3.07 -2.01 -1.09 114.58 117.12 1nku h GLU 73 Ca -0.44 -0.08 0.07 0.00 -0.50 0.00 0.00 59.36 58.40 1nku h GLU 73 Cb 1.26 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.02 1nku h GLU 73 CO 0.51 0.52 0.33 1.49 -1.40 0.00 0.00 179.01 180.46 1nku h GLU 74 N 0.63 0.38 -0.88 2.33 4.57 -2.01 -1.50 114.58 118.10 1nku h GLU 74 Ca 0.16 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1nku h GLU 74 Cb 0.11 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1nku h GLU 74 CO -0.02 0.25 0.48 -0.44 -1.18 0.00 0.00 179.01 178.10 1nku h ASP 75 N 0.39 1.11 -0.57 1.04 3.32 -1.57 -2.55 116.42 117.58 1nku h ASP 75 Ca 0.22 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1nku h ASP 75 Cb 0.36 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1nku h ASP 75 CO -0.05 0.89 0.21 -0.37 -1.72 0.00 0.00 179.24 178.20 1nku h VAL 76 N 1.23 1.23 -0.80 -1.35 -1.51 -1.32 -1.95 116.25 111.78 1nku h VAL 76 Ca 0.31 -0.73 0.11 0.00 -1.23 0.00 0.00 66.70 65.16 1nku h VAL 76 Cb 0.03 0.63 -0.06 0.00 -2.13 0.00 0.00 31.29 29.77 1nku h VAL 76 CO -0.05 0.28 0.52 -0.33 -1.23 0.00 0.00 177.57 176.77 1nku h GLU 77 N 0.79 0.66 -0.20 5.19 5.08 -1.33 0.55 114.58 125.32 1nku h GLU 77 Ca 0.19 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1nku h GLU 77 Cb 0.23 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1nku h GLU 77 CO -0.01 0.44 0.02 -0.09 -1.00 0.00 0.00 179.01 178.37 1nku h ARG 78 N 0.68 0.34 0.00 2.33 2.43 -1.03 -2.92 114.38 116.20 1nku h ARG 78 Ca 0.38 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1nku h ARG 78 Cb 0.54 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1nku h ARG 78 CO -0.15 0.50 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.27 1nku h LEU 79 N 0.12 0.00 -1.43 3.80 3.38 -0.85 -3.05 115.31 117.28 1nku h LEU 79 Ca 0.06 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.24 1nku h LEU 79 Cb 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1nku h LEU 79 CO 0.01 0.48 0.61 1.62 0.09 0.00 0.00 178.44 181.24 1nku h VAL 80 N 0.00 0.67 0.00 1.22 3.04 0.25 -2.91 116.25 118.53 1nku h VAL 80 Ca -0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1nku h VAL 80 Cb 0.98 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1nku h VAL 80 CO 0.06 0.08 -0.17 1.56 -1.01 0.00 0.00 177.57 178.09 1nku h GLN 81 N 0.46 0.00 -7.44 4.17 4.20 -1.59 -3.47 115.11 111.43 1nku h GLN 81 Ca 0.49 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.72 1nku h GLN 81 Cb 1.16 0.00 0.12 0.00 0.30 0.00 0.00 27.48 29.05 1nku h GLN 81 CO -0.21 0.00 0.33 -0.51 -0.67 0.00 0.00 178.83 177.77 1nku s ASP 82 N -5.42 4.25 0.00 1.46 1.01 -1.10 -4.78 116.67 112.10 1nku s ASP 82 Ca -0.05 1.19 0.00 0.00 0.71 0.00 0.00 52.55 54.40 1nku s ASP 82 Cb 0.01 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 42.07 1nku s ASP 82 CO 0.07 -2.11 0.00 0.00 0.21 0.00 0.00 175.17 173.34 1nku n ALA 83 N -3.51 -2.01 0.00 5.23 0.00 -1.26 -4.68 120.51 114.28 1nku n ALA 83 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1nku n ALA 83 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1nku n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 84 N -0.13 0.00 0.00 0.00 0.00 -1.26 -4.60 105.19 99.20 1nku n GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nku n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nku n ILE 85 N -0.87 0.00 -2.73 -0.61 -5.35 -1.26 -4.86 119.36 103.67 1nku n ILE 85 Ca 0.00 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.08 1nku n ILE 85 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.84 1nku n ILE 85 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1nku s ILE 86 N 0.00 4.16 -0.15 7.28 1.01 -1.26 -5.02 121.20 127.21 1nku s ILE 86 Ca 0.00 2.06 -0.15 0.00 0.00 0.00 0.00 60.65 62.56 1nku s ILE 86 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1nku s ILE 86 CO 0.00 0.45 0.35 -0.13 0.00 0.00 0.00 174.94 175.61 1nku s ARG 87 N -0.88 4.27 0.00 2.79 0.52 -1.26 -4.99 118.95 119.40 1nku s ARG 87 Ca 0.43 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.83 1nku s ARG 87 Cb -0.26 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1nku s ARG 87 CO 0.32 0.19 0.00 0.72 0.02 0.00 0.00 175.30 176.54 1nku n HIS 88 N 3.70 0.00 -0.29 -0.53 8.25 -1.26 -5.00 115.22 120.09 1nku n HIS 88 Ca -0.10 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.57 1nku n HIS 88 Cb 0.52 0.00 0.51 0.00 1.12 0.00 0.00 29.99 32.13 1nku n HIS 88 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1nku h ARG 89 N 0.00 0.40 -0.17 -0.41 2.43 -1.95 0.20 114.38 114.88 1nku h ARG 89 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1nku h ARG 89 Cb 0.00 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1nku h ARG 89 CO 0.00 0.26 0.04 0.78 -1.51 0.00 0.00 179.97 179.54 1nku h GLY 90 N 0.41 0.30 1.05 2.80 0.00 -2.00 -2.61 103.07 103.02 1nku h GLY 90 Ca 0.53 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 1nku h GLY 90 CO -0.23 0.18 0.29 0.50 0.00 0.00 0.00 176.54 177.28 1nku h LYS 91 N 0.08 1.18 -0.13 4.80 1.57 -1.39 -1.85 116.57 120.83 1nku h LYS 91 Ca 0.05 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1nku h LYS 91 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1nku h LYS 91 CO 0.00 0.97 0.01 0.82 -0.57 0.00 0.00 179.45 180.68 1nku h ILE 92 N 1.14 0.92 -0.26 1.86 2.04 -1.21 -1.36 117.51 120.64 1nku h ILE 92 Ca 0.26 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 1nku h ILE 92 Cb 0.25 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1nku h ILE 92 CO -0.02 0.01 0.09 1.56 0.00 0.00 0.00 178.15 179.79 1nku h GLN 93 N 0.06 0.37 -0.31 2.37 4.20 -1.27 -2.52 115.11 118.02 1nku h GLN 93 Ca 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1nku h GLN 93 Cb 0.06 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1nku h GLN 93 CO -0.09 0.33 0.20 0.00 -0.67 0.00 0.00 178.83 178.59 1nku h ALA 94 N 1.73 0.39 -0.60 3.87 0.00 -0.40 -0.96 119.26 123.29 1nku h ALA 94 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1nku h ALA 94 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1nku h ALA 94 CO -0.01 -0.13 0.37 0.82 0.00 0.00 0.00 179.25 180.29 1nku h ILE 95 N 0.41 1.07 -0.16 0.00 2.04 -1.00 -0.72 117.51 119.15 1nku h ILE 95 Ca 0.11 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1nku h ILE 95 Cb -0.03 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1nku h ILE 95 CO -0.02 0.13 0.02 0.40 0.00 0.00 0.00 178.15 178.68 1nku h ILE 96 N 0.72 0.92 -0.79 -0.67 2.04 -1.20 -2.10 117.51 116.43 1nku h ILE 96 Ca 0.24 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 1nku h ILE 96 Cb 0.02 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1nku h ILE 96 CO -0.10 0.02 0.47 1.23 0.00 0.00 0.00 178.15 179.76 1nku h GLY 97 N 0.09 1.15 0.74 5.37 0.00 -0.73 -1.86 103.07 107.82 1nku h GLY 97 Ca 0.07 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 46.96 1nku h GLY 97 CO -0.10 0.47 0.29 -0.57 0.00 0.00 0.00 176.54 176.63 1nku h ASN 98 N 1.09 0.44 -0.40 0.19 -1.24 -0.49 0.12 115.58 115.29 1nku h ASN 98 Ca 0.28 0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.21 1nku h ASN 98 Cb -0.03 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 1nku h ASN 98 CO -0.05 0.30 -0.14 0.00 -1.29 0.00 0.00 177.43 176.25 1nku h ALA 99 N 1.29 0.88 -0.52 1.57 0.00 -0.97 0.50 119.26 122.01 1nku h ALA 99 Ca 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1nku h ALA 99 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nku h ALA 99 CO -0.15 0.64 0.24 -0.09 0.00 0.00 0.00 179.25 179.89 1nku h ARG 100 N 0.77 0.75 -0.38 0.00 2.43 -0.50 0.86 114.38 118.32 1nku h ARG 100 Ca 0.12 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1nku h ARG 100 Cb 0.66 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1nku h ARG 100 CO 0.05 0.63 -0.26 0.00 -1.51 0.00 0.00 179.97 178.88 1nku h ALA 101 N 1.08 0.54 -0.13 2.80 0.00 -0.58 -0.33 119.26 122.63 1nku h ALA 101 Ca 0.18 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1nku h ALA 101 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nku h ALA 101 CO -0.02 0.54 -0.00 -0.92 0.00 0.00 0.00 179.25 178.85 1nku h TYR 102 N 0.64 0.26 -0.67 0.00 5.03 -0.54 -2.14 116.97 119.55 1nku h TYR 102 Ca 0.07 -0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 1nku h TYR 102 Cb 0.83 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 39.01 1nku h TYR 102 CO 0.06 0.48 0.20 1.25 -1.32 0.00 0.00 178.16 178.83 1nku h LEU 103 N -0.04 0.97 -0.72 2.82 5.85 0.76 -1.44 115.31 123.52 1nku h LEU 103 Ca 0.04 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1nku h LEU 103 Cb 0.38 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1nku h LEU 103 CO 0.01 0.91 0.42 -0.61 -0.34 0.00 0.00 178.44 178.83 1nku h GLN 104 N 0.99 0.98 -0.40 1.25 4.15 -0.93 0.17 115.11 121.32 1nku h GLN 104 Ca 0.22 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 1nku h GLN 104 Cb 0.30 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1nku h GLN 104 CO -0.01 0.71 -0.08 1.98 -1.93 0.00 0.00 178.83 179.51 1nku h MET 105 N 0.98 0.76 0.00 1.69 4.05 -1.01 -2.65 114.93 118.75 1nku h MET 105 Ca 0.26 -0.28 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 1nku h MET 105 Cb -0.01 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1nku h MET 105 CO -0.05 0.88 -0.27 1.49 0.23 0.00 0.00 176.91 179.20 1nku h GLU 106 N 0.58 0.00 -0.78 0.39 4.81 -0.87 -2.52 114.58 116.19 1nku h GLU 106 Ca 0.10 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.53 1nku h GLU 106 Cb 0.59 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1nku h GLU 106 CO 0.04 0.27 0.54 0.37 -0.73 0.00 0.00 179.01 179.50 1nku h GLN 107 N 0.00 0.17 0.00 1.92 4.15 -0.28 0.95 115.11 122.02 1nku h GLN 107 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1nku h GLN 107 Cb 0.54 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1nku h GLN 107 CO 0.04 0.12 0.00 -0.97 -1.93 0.00 0.00 178.83 176.08 1nku h ASN 108 N 0.18 0.00 0.00 -0.69 -1.24 -1.53 -3.46 115.58 108.84 1nku h ASN 108 Ca 0.38 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.39 1nku h ASN 108 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1nku h ASN 108 CO -0.07 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.68 1nku n GLY 109 N 0.67 0.77 3.57 1.57 0.00 0.33 -5.04 105.19 107.05 1nku n GLY 109 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.76 3.63 0.13 1.61 0.41 -1.26 -5.01 118.70 117.46 1nku s GLU 110 Ca 0.00 0.10 -0.35 0.00 -0.41 0.00 0.00 54.97 54.32 1nku s GLU 110 Cb 0.00 -3.84 -0.14 0.00 -1.78 0.00 0.00 34.13 28.37 1nku s GLU 110 CO 0.00 -0.87 1.55 -2.30 -0.49 0.00 0.00 175.26 173.15 1nku n PRO 111 N 6.33 1.93 -0.07 0.39 -0.02 -1.26 -4.45 135.00 137.85 1nku n PRO 111 Ca 0.01 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1nku n PRO 111 Cb 0.48 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 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 5.82 0.52 -0.86 6.00 3.04 -1.94 -3.16 116.94 126.36 1nku h PHE 112 Ca -0.46 -0.14 -0.02 0.00 3.98 0.00 0.00 57.97 61.33 1nku h PHE 112 Cb 1.27 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.63 1nku h PHE 112 CO 0.63 0.75 0.44 0.00 -2.02 0.00 0.00 178.31 178.12 1nku h ALA 113 N 0.68 1.17 -0.93 2.41 0.00 -1.90 -2.15 119.26 118.54 1nku h ALA 113 Ca 0.04 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1nku h ALA 113 Cb 0.63 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1nku h ALA 113 CO 0.03 0.65 0.60 0.22 0.00 0.00 0.00 179.25 180.76 1nku h ASP 114 N 1.21 0.85 0.06 0.00 3.58 -1.90 0.20 116.42 120.43 1nku h ASP 114 Ca 0.30 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.77 1nku h ASP 114 Cb 0.07 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1nku h ASP 114 CO -0.04 0.49 -0.03 0.15 -2.88 0.00 0.00 179.24 176.93 1nku h PHE 115 N 0.93 -0.08 -0.70 0.28 3.57 -1.37 -1.39 116.94 118.18 1nku h PHE 115 Ca 0.44 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 1nku h PHE 115 Cb 0.42 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1nku h PHE 115 CO -0.00 0.15 0.42 0.28 -2.23 0.00 0.00 178.31 176.93 1nku h VAL 116 N -0.30 1.20 -0.92 1.41 2.07 -1.10 -2.20 116.25 116.40 1nku h VAL 116 Ca -0.01 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1nku h VAL 116 Cb 0.26 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1nku h VAL 116 CO 0.01 0.21 0.61 -0.50 0.02 0.00 0.00 177.57 177.92 1nku h TRP 117 N 0.95 1.15 -0.63 1.57 4.06 -0.48 -1.91 115.95 120.66 1nku h TRP 117 Ca 0.25 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.22 1nku h TRP 117 Cb -0.03 -0.39 -0.03 0.00 -1.00 0.00 0.00 29.16 27.72 1nku h TRP 117 CO -0.01 0.70 0.37 0.77 -3.56 0.00 0.00 178.44 176.71 1nku h SER 118 N 1.22 0.76 0.06 -3.49 0.02 -0.62 0.69 113.55 112.19 1nku h SER 118 Ca 0.35 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1nku h SER 118 Cb -0.08 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 1nku h SER 118 CO -0.09 0.59 -0.05 -0.26 -1.14 0.00 0.00 176.83 175.89 1nku h PHE 119 N 0.87 0.00 -0.69 3.45 -1.00 -1.13 -1.07 116.94 117.37 1nku h PHE 119 Ca 0.23 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.83 1nku h PHE 119 Cb -0.02 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.44 1nku h PHE 119 CO 0.00 0.05 0.22 1.33 -1.61 0.00 0.00 178.31 178.30 1nku n VAL 120 N -4.30 2.89 -2.55 -0.55 0.24 -0.68 -4.88 118.33 108.50 1nku n VAL 120 Ca -0.03 -1.66 -0.12 0.00 -2.04 0.00 0.00 64.34 60.49 1nku n VAL 120 Cb 0.13 -0.34 0.01 0.00 -1.47 0.00 0.00 33.84 32.17 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 -0.10 -4.00 -1.53 -1.34 2.85 -0.40 -2.76 115.26 107.98 1nku n ASN 121 Ca 0.38 -0.12 -0.03 0.00 -0.11 0.00 0.00 54.58 54.71 1nku n ASN 121 Cb 1.34 -2.98 -0.01 0.00 1.24 0.00 0.00 39.78 39.37 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 1nku n HIS 122 N -3.97 -1.17 -4.12 1.20 -0.00 0.23 -4.86 115.22 102.53 1nku n HIS 122 Ca -0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.48 1nku n HIS 122 Cb 0.58 -1.39 -0.12 0.00 -0.00 0.00 0.00 29.99 29.06 1nku n HIS 122 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1nku s GLN 123 N -3.14 0.69 0.50 1.57 -2.07 -1.11 -5.00 119.66 111.10 1nku s GLN 123 Ca 0.00 -0.86 -0.21 0.00 -1.82 0.00 0.00 55.36 52.47 1nku s GLN 123 Cb 0.00 -0.59 -0.07 0.00 -1.09 0.00 0.00 33.01 31.27 1nku s GLN 123 CO 0.00 0.12 1.13 -1.25 -1.32 0.00 0.00 175.29 173.97 1nku s PRO 124 N -1.65 3.60 -0.01 9.60 0.04 -1.26 -4.86 135.00 140.46 1nku s PRO 124 Ca -0.06 1.65 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1nku s PRO 124 Cb -0.10 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1nku s PRO 124 CO 0.01 -0.65 -0.06 -0.65 0.04 0.00 0.00 177.00 175.69 1nku s GLN 125 N -3.00 2.61 0.09 4.56 -0.21 -0.38 -5.01 119.66 118.31 1nku s GLN 125 Ca 0.68 -0.68 0.05 0.00 0.02 0.00 0.00 55.36 55.42 1nku s GLN 125 Cb -0.25 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 1nku s GLN 125 CO 0.29 0.61 -0.12 -1.64 -2.12 0.00 0.00 175.29 172.31 1nku s MET 126 N -1.36 0.84 0.09 2.91 -1.94 -1.26 0.88 119.30 119.45 1nku s MET 126 Ca 0.17 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.11 1nku s MET 126 Cb -0.11 -0.70 -0.04 0.00 2.01 0.00 0.00 34.83 35.99 1nku s MET 126 CO 0.07 0.14 -0.06 -0.08 -0.01 0.00 0.00 175.02 175.08 1nku s THR 127 N -1.81 0.61 -0.44 2.05 -1.32 -1.02 -4.89 115.64 108.81 1nku s THR 127 Ca 0.02 -1.84 0.05 0.00 -1.21 0.00 0.00 61.69 58.71 1nku s THR 127 Cb -0.07 -1.56 0.42 0.00 -1.51 0.00 0.00 72.50 69.78 1nku s THR 127 CO 0.02 -0.85 1.10 1.67 -2.21 0.00 0.00 174.62 174.35 1nku n GLN 128 N 0.11 3.40 -1.92 7.08 7.27 -1.26 -4.79 117.38 127.27 1nku n GLN 128 Ca -0.13 -4.50 -0.40 0.00 0.07 0.00 0.00 57.00 52.04 1nku n GLN 128 Cb 0.60 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 31.02 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 -3.53 3.32 -0.18 1.69 0.00 -1.26 -4.74 121.76 117.06 1nku s ALA 129 Ca 0.48 1.38 -0.16 0.00 0.00 0.00 0.00 51.96 53.65 1nku s ALA 129 Cb 0.40 -3.55 -0.21 0.00 0.00 0.00 0.00 23.12 19.76 1nku s ALA 129 CO -0.19 -0.99 0.24 2.41 0.00 0.00 0.00 175.76 177.23 1nku n THR 130 N 0.10 1.62 -4.35 0.00 -1.04 -1.26 -2.92 114.28 106.42 1nku n THR 130 Ca 0.04 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 61.57 1nku n THR 130 Cb 0.42 -1.93 -0.11 0.00 -1.82 0.00 0.00 70.33 66.89 1nku n THR 130 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nku s THR 131 N -2.43 1.92 0.43 12.58 2.01 -1.26 -4.78 115.64 124.10 1nku s THR 131 Ca -0.27 -1.94 0.10 0.00 0.31 0.00 0.00 61.69 59.90 1nku s THR 131 Cb 0.06 -1.89 0.29 0.00 0.01 0.00 0.00 72.50 70.97 1nku s THR 131 CO 0.65 -0.27 2.04 -0.07 -0.69 0.00 0.00 174.62 176.27 1nku h LEU 132 N 3.25 0.39 -1.48 4.42 3.38 -1.92 -1.12 115.31 122.23 1nku h LEU 132 Ca -0.43 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1nku h LEU 132 Cb 1.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1nku h LEU 132 CO 0.50 0.27 -0.04 0.28 0.09 0.00 0.00 178.44 179.54 1nku h SER 133 N 0.45 0.27 0.35 -0.43 0.02 -2.02 -1.90 113.55 110.29 1nku h SER 133 Ca 0.19 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1nku h SER 133 Cb 0.17 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1nku h SER 133 CO -0.05 0.35 -0.13 1.05 -1.14 0.00 0.00 176.83 176.92 1nku h GLU 134 N 0.29 0.00 -6.52 3.45 -0.00 -1.61 -3.42 114.58 106.76 1nku h GLU 134 Ca 0.06 0.00 -0.53 0.00 -0.00 0.00 0.00 59.36 58.89 1nku h GLU 134 Cb 0.26 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.03 1nku h GLU 134 CO 0.01 0.13 0.79 0.42 -0.00 0.00 0.00 179.01 180.36 1nku s ILE 135 N -4.23 3.22 -0.99 -1.06 1.01 -0.72 -4.88 121.20 113.55 1nku s ILE 135 Ca -0.03 0.83 0.19 0.00 0.00 0.00 0.00 60.65 61.64 1nku s ILE 135 Cb 0.13 -3.53 0.16 0.00 0.01 0.00 0.00 42.46 39.23 1nku s ILE 135 CO 0.60 0.05 1.61 -0.81 0.00 0.00 0.00 174.94 176.38 1nku n PRO 136 N 4.30 0.01 -0.22 2.79 -0.04 -1.26 -4.83 135.00 135.74 1nku n PRO 136 Ca 0.12 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1nku n PRO 136 Cb 0.42 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1nku n PRO 136 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1nku n THR 137 N -1.52 0.00 -3.61 0.52 -1.04 -1.26 -4.75 114.28 102.62 1nku n THR 137 Ca 0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.76 1nku n THR 137 Cb 0.22 -0.22 -0.13 0.00 -1.82 0.00 0.00 70.33 68.39 1nku n THR 137 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1nku s SER 138 N -1.45 3.41 0.31 8.00 0.15 -1.26 -4.86 113.70 118.00 1nku s SER 138 Ca 0.00 -2.29 -0.15 0.00 0.70 0.00 0.00 55.95 54.21 1nku s SER 138 Cb 0.00 -0.74 -0.09 0.00 -1.71 0.00 0.00 66.02 63.49 1nku s SER 138 CO 0.00 -0.31 0.73 0.42 1.20 0.00 0.00 173.24 175.28 1nku s THR 139 N 0.84 4.68 0.44 6.45 -4.23 -1.26 -4.94 115.64 117.62 1nku s THR 139 Ca 0.17 0.94 0.23 0.00 -1.18 0.00 0.00 61.69 61.85 1nku s THR 139 Cb -0.23 -3.62 0.43 0.00 1.34 0.00 0.00 72.50 70.42 1nku s THR 139 CO -0.03 -0.16 1.79 -0.65 -0.54 0.00 0.00 174.62 175.03 1nku h PRO 140 N 2.33 0.28 -0.17 3.99 0.11 -2.01 0.23 132.00 136.77 1nku h PRO 140 Ca -0.48 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1nku h PRO 140 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1nku h PRO 140 CO 0.65 0.18 -0.58 0.00 -0.21 0.00 0.00 178.00 178.05 1nku h ALA 141 N 1.57 0.67 -0.34 -0.75 0.00 -1.92 -2.78 119.26 115.72 1nku h ALA 141 Ca 0.57 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nku h ALA 141 Cb 1.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1nku h ALA 141 CO -0.21 0.70 0.20 1.03 0.00 0.00 0.00 179.25 180.97 1nku h SER 142 N 0.41 0.41 -0.47 0.00 0.87 -0.91 0.86 113.55 114.72 1nku h SER 142 Ca 0.00 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1nku h SER 142 Cb 1.13 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1nku h SER 142 CO 0.11 0.34 0.17 0.44 -0.53 0.00 0.00 176.83 177.36 1nku h ASP 143 N 0.44 0.67 -0.25 6.23 3.32 -1.49 -0.65 116.42 124.69 1nku h ASP 143 Ca 0.12 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 1nku h ASP 143 Cb 0.01 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1nku h ASP 143 CO -0.02 0.68 -0.44 0.00 -1.72 0.00 0.00 179.24 177.74 1nku h ALA 144 N 1.02 0.38 -0.63 3.45 0.00 -1.21 -2.88 119.26 119.39 1nku h ALA 144 Ca 0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1nku h ALA 144 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1nku h ALA 144 CO -0.01 0.52 0.33 1.25 0.00 0.00 0.00 179.25 181.34 1nku h LEU 145 N 0.46 0.79 -0.54 0.00 6.46 0.89 -1.33 115.31 122.05 1nku h LEU 145 Ca 0.01 -0.11 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1nku h LEU 145 Cb 1.04 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 1nku h LEU 145 CO 0.10 0.67 0.35 -1.28 -0.62 0.00 0.00 178.44 177.66 1nku h SER 146 N 0.85 0.61 -0.66 1.25 0.87 -1.11 -0.96 113.55 114.41 1nku h SER 146 Ca 0.22 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1nku h SER 146 Cb 0.06 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1nku h SER 146 CO -0.03 0.44 0.29 0.50 -0.53 0.00 0.00 176.83 177.50 1nku h LYS 147 N 0.72 0.99 -0.14 2.24 3.64 -1.25 0.33 116.57 123.11 1nku h LYS 147 Ca 0.20 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1nku h LYS 147 Cb -0.08 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1nku h LYS 147 CO -0.04 0.80 0.03 0.00 -2.27 0.00 0.00 179.45 177.96 1nku h ALA 148 N 1.34 0.19 -0.52 5.00 0.00 -0.44 -0.19 119.26 124.64 1nku h ALA 148 Ca 0.23 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1nku h ALA 148 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1nku h ALA 148 CO -0.02 -0.17 0.02 -0.07 0.00 0.00 0.00 179.25 179.01 1nku h LEU 149 N 0.03 0.88 -1.39 0.00 3.38 -0.97 -2.54 115.31 114.69 1nku h LEU 149 Ca 0.04 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1nku h LEU 149 Cb 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1nku h LEU 149 CO 0.00 0.96 0.25 0.50 0.09 0.00 0.00 178.44 180.24 1nku h LYS 150 N 0.77 0.66 -0.84 1.13 3.64 -0.80 -2.18 116.57 118.94 1nku h LYS 150 Ca 0.15 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1nku h LYS 150 Cb 0.50 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1nku h LYS 150 CO 0.02 0.50 0.49 -0.22 -2.27 0.00 0.00 179.45 177.97 1nku h LYS 151 N 0.66 1.15 0.00 1.90 3.64 -0.59 -1.61 116.57 121.72 1nku h LYS 151 Ca 0.17 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1nku h LYS 151 Cb 0.04 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1nku h LYS 151 CO -0.03 0.82 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.80 1nku h ARG 152 N 1.16 0.00 0.00 1.90 2.43 -1.31 -3.45 114.38 115.11 1nku h ARG 152 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1nku h ARG 152 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1nku h ARG 152 CO -0.05 0.09 0.00 0.41 -1.51 0.00 0.00 179.97 178.90 1nku n GLY 153 N -0.28 1.09 3.74 2.80 0.00 -0.61 -5.05 105.19 106.88 1nku n GLY 153 Ca -0.01 0.00 -0.41 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 -1.70 3.64 0.13 1.61 0.08 -0.87 -4.99 117.98 115.89 1nku s PHE 154 Ca 0.00 1.66 0.01 0.00 0.12 0.00 0.00 56.93 58.72 1nku s PHE 154 Cb 0.00 -3.23 0.01 0.00 -0.57 0.00 0.00 43.02 39.23 1nku s PHE 154 CO 0.00 -0.44 0.12 1.63 -0.10 0.00 0.00 175.22 176.42 1nku n LYS 155 N 2.16 1.22 -3.02 0.44 4.01 -1.26 -4.19 118.16 117.52 1nku n LYS 155 Ca 0.02 -0.79 -0.12 0.00 -0.51 0.00 0.00 58.31 56.91 1nku n LYS 155 Cb 0.46 0.06 -0.02 0.00 -0.51 0.00 0.00 35.03 35.02 1nku n LYS 155 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1nku n PHE 156 N -0.91 -1.76 -1.21 2.13 -1.74 -1.26 -4.72 117.46 107.99 1nku n PHE 156 Ca 0.00 0.19 -0.01 0.00 -0.56 0.00 0.00 57.45 57.07 1nku n PHE 156 Cb 0.15 -1.43 0.23 0.00 1.52 0.00 0.00 39.48 39.95 1nku n PHE 156 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 1nku n VAL 157 N -3.00 2.53 -0.80 1.97 3.14 -1.26 -4.70 118.33 116.21 1nku n VAL 157 Ca 0.02 -2.23 -0.34 0.00 -2.96 0.00 0.00 64.34 58.83 1nku n VAL 157 Cb 0.50 -0.31 0.12 0.00 -1.06 0.00 0.00 33.84 33.09 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nku n GLY 158 N -0.79 -2.71 0.36 7.55 0.00 -1.26 -4.32 105.19 104.02 1nku n GLY 158 Ca 0.31 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.79 1nku n GLY 158 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nku h THR 159 N -1.62 0.86 -0.32 2.61 2.02 -1.96 -0.93 112.91 113.58 1nku h THR 159 Ca -0.47 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1nku h THR 159 Cb 1.33 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1nku h THR 159 CO 0.32 0.06 -0.02 0.71 0.37 0.00 0.00 175.52 176.97 1nku h THR 160 N 0.34 1.26 -0.50 3.16 1.35 -1.92 -0.28 112.91 116.32 1nku h THR 160 Ca 0.28 -0.99 -0.12 0.00 -0.55 0.00 0.00 66.41 65.03 1nku h THR 160 Cb 0.63 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 1nku h THR 160 CO -0.07 0.32 -0.15 0.40 -0.25 0.00 0.00 175.52 175.77 1nku h ILE 161 N 0.37 1.27 -0.66 6.82 5.03 -1.57 -2.64 117.51 126.13 1nku h ILE 161 Ca 0.09 -1.30 -0.07 0.00 -0.12 0.00 0.00 64.86 63.45 1nku h ILE 161 Cb 0.47 1.04 -0.03 0.00 -3.03 0.00 0.00 36.82 35.27 1nku h ILE 161 CO 0.02 0.45 0.13 0.00 -0.68 0.00 0.00 178.15 178.07 1nku h TYR 163 N 1.01 0.71 -0.55 0.00 3.20 -0.84 0.31 116.97 120.81 1nku h TYR 163 Ca 0.20 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1nku h TYR 163 Cb 0.42 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1nku h TYR 163 CO 0.03 0.46 0.32 0.77 -1.64 0.00 0.00 178.16 178.11 1nku h SER 164 N 0.75 0.66 -0.21 -2.11 0.02 -1.24 -1.62 113.55 109.80 1nku h SER 164 Ca 0.20 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.97 1nku h SER 164 Cb -0.06 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1nku h SER 164 CO -0.04 0.52 -0.41 0.15 -1.14 0.00 0.00 176.83 175.91 1nku h PHE 165 N 0.76 0.91 -0.88 3.45 3.57 -0.80 -0.56 116.94 123.38 1nku h PHE 165 Ca 0.20 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1nku h PHE 165 Cb -0.01 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 1nku h PHE 165 CO 0.00 1.04 0.53 0.52 -2.23 0.00 0.00 178.31 178.17 1nku h MET 166 N 0.62 1.20 0.18 1.11 2.86 -0.02 0.27 114.93 121.14 1nku h MET 166 Ca 0.05 -0.11 -0.29 0.00 -2.06 0.00 0.00 59.70 57.29 1nku h MET 166 Cb 0.96 -0.25 0.03 0.00 0.06 0.00 0.00 31.60 32.40 1nku h MET 166 CO 0.09 0.84 -1.25 -0.56 1.06 0.00 0.00 176.91 177.09 1nku h GLN 167 N 1.21 0.52 -0.64 1.72 3.07 -1.36 -2.42 115.11 117.22 1nku h GLN 167 Ca 0.32 -0.81 -0.09 0.00 0.09 0.00 0.00 58.65 58.16 1nku h GLN 167 Cb -0.05 0.29 -0.02 0.00 0.08 0.00 0.00 27.48 27.77 1nku h GLN 167 CO -0.06 1.38 0.06 0.00 0.09 0.00 0.00 178.83 180.29 1nku h ALA 168 N 0.19 0.89 -0.18 0.06 0.00 -0.92 -2.77 119.26 116.53 1nku h ALA 168 Ca -0.21 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1nku h ALA 168 Cb 1.96 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1nku h ALA 168 CO 0.24 0.67 -0.41 0.00 0.00 0.00 0.00 179.25 179.74 1nku n GLY 170 N -0.08 0.96 0.34 0.00 0.00 -1.04 -1.50 105.19 103.88 1nku n GLY 170 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.56 -8.18 0.99 3.38 -1.72 -3.35 115.31 106.99 1nku h LEU 171 Ca 0.00 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.50 1nku h LEU 171 Cb 0.00 -0.13 -0.29 0.00 0.09 0.00 0.00 40.66 40.34 1nku h LEU 171 CO 0.00 0.38 -0.80 0.54 0.09 0.00 0.00 178.44 178.64 1nku s VAL 172 N -5.58 1.03 -0.56 1.22 0.11 -1.21 -1.25 120.40 114.17 1nku s VAL 172 Ca -0.09 -0.58 -0.18 0.00 -2.93 0.00 0.00 61.98 58.20 1nku s VAL 172 Cb 0.19 -0.87 0.10 0.00 -1.53 0.00 0.00 36.38 34.27 1nku s VAL 172 CO 0.76 0.28 0.62 0.21 -3.33 0.00 0.00 175.10 173.63 1nku s ASN 173 N -0.35 6.19 -0.48 3.54 2.47 0.25 -4.67 114.94 121.90 1nku s ASN 173 Ca 0.05 -1.40 0.04 0.00 0.42 0.00 0.00 52.86 51.97 1nku s ASN 173 Cb -0.05 -2.27 0.12 0.00 -1.45 0.00 0.00 41.25 37.60 1nku s ASN 173 CO -0.00 -0.98 0.21 -0.62 -3.72 0.00 0.00 177.10 171.99 1nku s ASP 174 N 3.36 4.35 0.00 -4.21 -1.08 -1.26 -2.43 116.67 115.40 1nku s ASP 174 Ca 0.10 -2.80 0.00 0.00 -0.52 0.00 0.00 52.55 49.33 1nku s ASP 174 Cb -0.24 -1.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.63 1nku s ASP 174 CO 0.07 -0.27 0.00 1.41 0.52 0.00 0.00 175.17 176.90 1nku n HIS 175 N 3.39 0.00 -3.65 -5.34 8.25 -1.26 -5.10 115.22 111.51 1nku n HIS 175 Ca 0.05 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 1nku n HIS 175 Cb 0.34 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 1nku n HIS 175 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nku s VAL 176 N 0.07 0.00 0.00 1.59 0.11 -1.26 -4.88 120.40 116.03 1nku s VAL 176 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1nku s VAL 176 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1nku s VAL 176 CO 0.00 0.00 0.37 0.55 -3.33 0.00 0.00 175.10 172.69 1nku n VAL 177 N 1.93 0.37 -1.23 2.04 3.14 -1.15 -0.68 118.33 122.76 1nku n VAL 177 Ca -0.12 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1nku n VAL 177 Cb 0.57 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 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 1.54 1.00 3.91 7.55 0.00 -1.20 -4.62 105.19 113.37 1nku n GLY 178 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1nku n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku s TYR 182 N -4.84 3.15 -1.03 0.00 6.14 -0.43 -4.92 117.35 115.41 1nku s TYR 182 Ca -0.04 -3.15 0.12 0.00 0.64 0.00 0.00 57.07 54.64 1nku s TYR 182 Cb 0.16 -2.54 0.52 0.00 0.42 0.00 0.00 41.96 40.52 1nku s TYR 182 CO 0.68 -0.64 1.38 -0.35 0.64 0.00 0.00 175.55 177.26 1nku n PRO 183 N 2.48 0.01 -0.88 4.97 -0.04 -1.20 -3.28 135.00 137.07 1nku n PRO 183 Ca 0.15 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1nku n PRO 183 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.25 0.77 3.65 0.55 0.00 -1.26 -3.95 105.19 104.69 1nku n GLY 184 Ca 0.03 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 1nku n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nku n ASN 185 N 1.25 -3.81 -4.24 1.61 3.02 -1.26 -4.99 115.26 106.84 1nku n ASN 185 Ca 0.00 -0.68 -0.20 0.00 -0.03 0.00 0.00 54.58 53.67 1nku n ASN 185 Cb 0.13 -4.58 -0.12 0.00 -0.61 0.00 0.00 39.78 34.60 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nku s LYS 186 N -6.08 1.01 0.00 3.52 1.02 -1.25 -5.30 119.74 112.66 1nku s LYS 186 Ca 0.33 -1.13 0.21 0.00 0.02 0.00 0.00 55.97 55.40 1nku s LYS 186 Cb -0.16 -1.07 1.25 0.00 -0.52 0.00 0.00 37.83 37.34 1nku s LYS 186 CO 0.77 0.23 1.63 -0.35 -0.92 0.00 0.00 175.35 176.72