#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 1.70 0.12 0.03 2.02 -1.17 -5.01 118.70 116.39 1nku s GLU 2 Ca 0.00 -1.79 0.10 0.00 0.02 0.00 0.00 54.97 53.30 1nku s GLU 2 Cb 0.00 -1.76 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 1nku s GLU 2 CO 0.00 0.31 -0.24 0.50 0.02 0.00 0.00 175.26 175.84 1nku s ARG 3 N -3.52 1.56 0.48 1.61 6.06 -1.26 -2.70 118.95 121.17 1nku s ARG 3 Ca 0.30 -1.27 -0.20 0.00 -2.50 0.00 0.00 55.73 52.06 1nku s ARG 3 Cb -0.04 -1.97 -0.12 0.00 0.06 0.00 0.00 34.95 32.88 1nku s ARG 3 CO 0.15 0.47 0.41 0.00 -2.50 0.00 0.00 175.30 173.83 1nku n GLY 5 N 1.93 -1.06 0.35 0.00 0.00 -1.26 -4.24 105.19 100.91 1nku n GLY 5 Ca 0.11 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.74 1nku n GLY 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1nku h TRP 6 N 0.00 0.24 -0.57 1.61 4.06 -1.97 -0.88 115.95 118.44 1nku h TRP 6 Ca 0.00 0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 1nku h TRP 6 Cb 0.51 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.57 1nku h TRP 6 CO 0.00 0.11 -0.05 -0.39 -3.56 0.00 0.00 178.44 174.55 1nku h VAL 7 N 0.22 1.27 0.00 1.49 -1.51 -1.93 -3.44 116.25 112.34 1nku h VAL 7 Ca 0.24 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 1nku h VAL 7 Cb 0.66 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1nku h VAL 7 CO -0.04 0.43 0.00 -0.24 -1.23 0.00 0.00 177.57 176.48 1nku n SER 8 N -4.16 0.00 -4.46 4.19 2.88 -0.34 -4.29 113.62 107.44 1nku n SER 8 Ca 0.02 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.33 1nku n SER 8 Cb 0.37 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.73 1nku n SER 8 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1nku s GLN 9 N 0.00 1.63 0.00 -1.46 -0.21 -1.26 -4.96 119.66 113.40 1nku s GLN 9 Ca 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 55.36 53.59 1nku s GLN 9 Cb 0.00 -1.50 0.00 0.00 1.00 0.00 0.00 33.01 32.51 1nku s GLN 9 CO 0.00 0.19 0.00 -3.47 -2.12 0.00 0.00 175.29 169.89 1nku n ASP 10 N -0.62 -1.79 0.08 5.90 -0.08 -1.26 -4.80 116.55 113.97 1nku n ASP 10 Ca -0.06 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1nku n ASP 10 Cb 0.62 -0.90 0.16 0.00 2.34 0.00 0.00 41.12 43.34 1nku n ASP 10 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1nku n PRO 11 N -0.12 0.04 -0.01 -0.67 -0.02 -1.26 -1.66 135.00 131.30 1nku n PRO 11 Ca 0.00 0.42 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 1nku n PRO 11 Cb 0.00 -1.90 0.33 0.00 -0.02 0.00 0.00 33.50 31.91 1nku n PRO 11 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1nku h LEU 12 N 0.00 0.51 -0.69 2.45 6.46 -1.96 -2.09 115.31 119.98 1nku h LEU 12 Ca 0.00 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1nku h LEU 12 Cb 0.54 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1nku h LEU 12 CO 0.00 0.50 0.45 1.88 -0.62 0.00 0.00 178.44 180.65 1nku h TYR 13 N 0.55 0.86 -0.74 1.25 0.05 -1.63 -2.24 116.97 115.07 1nku h TYR 13 Ca 0.13 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 1nku h TYR 13 Cb 0.19 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 1nku h TYR 13 CO 0.01 0.53 0.37 0.82 -1.05 0.00 0.00 178.16 178.84 1nku h ILE 14 N 0.92 1.23 -0.69 -2.88 2.04 -1.58 0.95 117.51 117.49 1nku h ILE 14 Ca 0.26 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1nku h ILE 14 Cb -0.09 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.21 1nku h ILE 14 CO -0.06 0.27 0.42 0.00 0.00 0.00 0.00 178.15 178.78 1nku h ALA 15 N 1.36 0.91 -0.09 1.87 0.00 -1.14 -1.01 119.26 121.16 1nku h ALA 15 Ca 0.26 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1nku h ALA 15 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1nku h ALA 15 CO -0.04 0.18 -0.59 -0.92 0.00 0.00 0.00 179.25 177.88 1nku h TYR 16 N 0.82 0.38 -0.90 0.00 3.20 -1.15 -2.05 116.97 117.28 1nku h TYR 16 Ca 0.28 -0.14 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1nku h TYR 16 Cb 0.05 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 1nku h TYR 16 CO -0.05 0.82 0.56 1.25 -1.64 0.00 0.00 178.16 179.10 1nku h HIS 17 N 0.22 1.03 0.00 -3.82 2.76 0.47 -2.06 115.15 113.75 1nku h HIS 17 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1nku h HIS 17 Cb 1.10 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1nku h HIS 17 CO 0.03 0.49 -0.86 -0.44 -1.30 0.00 0.00 177.93 175.85 1nku h ASP 18 N 0.98 0.00 0.00 3.26 3.32 -1.30 -3.38 116.42 119.30 1nku h ASP 18 Ca 0.41 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1nku h ASP 18 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1nku h ASP 18 CO -0.20 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 177.98 1nku n ASN 19 N -2.38 0.00 -3.62 6.45 3.02 -0.78 -4.88 115.26 113.08 1nku n ASN 19 Ca 0.01 0.23 -0.29 0.00 -0.03 0.00 0.00 54.58 54.50 1nku n ASN 19 Cb 0.49 -0.24 -0.15 0.00 -0.61 0.00 0.00 39.78 39.27 1nku n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1nku s GLU 20 N -0.49 0.41 -0.30 3.52 2.02 -0.90 -5.02 118.70 117.95 1nku s GLU 20 Ca 0.00 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 1nku s GLU 20 Cb 0.00 -1.50 0.18 0.00 0.10 0.00 0.00 34.13 32.91 1nku s GLU 20 CO 0.00 -1.01 1.02 -0.46 0.02 0.00 0.00 175.26 174.83 1nku s TRP 21 N 1.89 -0.59 0.00 1.61 -0.00 -1.25 -4.79 118.94 115.81 1nku s TRP 21 Ca 0.09 0.43 0.00 0.00 -0.00 0.00 0.00 56.10 56.63 1nku s TRP 21 Cb -0.17 0.13 0.00 0.00 -0.00 0.00 0.00 33.47 33.44 1nku s TRP 21 CO -0.32 -0.34 0.00 0.41 -0.00 0.00 0.00 176.95 176.71 1nku n GLY 22 N 5.26 0.60 3.41 5.86 0.00 -0.45 -4.89 105.19 114.98 1nku n GLY 22 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.32 4.84 0.00 1.61 0.11 -1.26 -4.72 120.40 118.66 1nku s VAL 23 Ca 0.00 -0.80 -0.37 0.00 -2.93 0.00 0.00 61.98 57.88 1nku s VAL 23 Cb 0.00 -3.71 -0.16 0.00 -1.53 0.00 0.00 36.38 30.98 1nku s VAL 23 CO 0.00 -0.28 1.45 -2.65 -3.33 0.00 0.00 175.10 170.29 1nku n PRO 24 N 5.06 1.20 -5.02 1.54 -0.02 -1.13 -4.07 135.00 132.55 1nku n PRO 24 Ca -0.11 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.48 1nku n PRO 24 Cb 0.46 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.25 3.01 0.00 -0.52 2.02 -0.15 -4.94 118.70 119.37 1nku s GLU 25 Ca 0.88 -0.79 0.13 0.00 0.02 0.00 0.00 54.97 55.21 1nku s GLU 25 Cb -0.97 -2.41 0.12 0.00 0.10 0.00 0.00 34.13 30.97 1nku s GLU 25 CO 0.51 0.29 0.93 0.25 0.02 0.00 0.00 175.26 177.26 1nku n THR 26 N 3.26 0.05 -2.62 3.63 -2.24 -1.26 -4.92 114.28 110.18 1nku n THR 26 Ca -0.18 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 1nku n THR 26 Cb 0.53 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.96 1nku n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nku s ASP 27 N -1.08 7.14 0.36 3.42 1.01 -1.26 -4.79 116.67 121.46 1nku s ASP 27 Ca 0.16 1.53 0.04 0.00 0.71 0.00 0.00 52.55 54.99 1nku s ASP 27 Cb 0.11 -2.55 0.67 0.00 1.01 0.00 0.00 42.92 42.16 1nku s ASP 27 CO 0.16 -0.58 1.95 0.77 0.21 0.00 0.00 175.17 177.69 1nku h SER 28 N 7.38 0.55 -0.38 0.27 4.64 -1.96 -1.84 113.55 122.21 1nku h SER 28 Ca -0.26 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 1nku h SER 28 Cb 1.11 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1nku h SER 28 CO 0.92 0.51 0.14 0.11 -0.87 0.00 0.00 176.83 177.64 1nku h LYS 29 N 0.61 0.57 -0.40 4.77 1.57 -1.99 0.17 116.57 121.87 1nku h LYS 29 Ca 0.15 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1nku h LYS 29 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1nku h LYS 29 CO -0.01 0.56 0.11 0.87 -0.57 0.00 0.00 179.45 180.40 1nku h LYS 30 N 0.46 0.63 -0.49 3.15 1.57 -1.85 -2.19 116.57 117.86 1nku h LYS 30 Ca 0.13 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1nku h LYS 30 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1nku h LYS 30 CO -0.01 0.65 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.33 1nku h LEU 31 N 0.50 0.91 -0.53 2.94 3.38 -1.19 -2.41 115.31 118.91 1nku h LEU 31 Ca 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1nku h LEU 31 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1nku h LEU 31 CO -0.00 1.03 0.31 0.15 0.09 0.00 0.00 178.44 180.02 1nku h PHE 32 N 0.81 0.70 -0.11 1.13 3.57 -0.47 -2.34 116.94 120.23 1nku h PHE 32 Ca 0.13 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1nku h PHE 32 Cb 0.65 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1nku h PHE 32 CO 0.04 0.49 -0.33 0.93 -2.23 0.00 0.00 178.31 177.21 1nku h GLU 33 N 0.70 0.23 0.04 1.11 5.08 -1.27 -2.82 114.58 117.64 1nku h GLU 33 Ca 0.19 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nku h GLU 33 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nku h GLU 33 CO -0.03 0.54 -0.02 1.98 -1.00 0.00 0.00 179.01 180.48 1nku h MET 34 N 0.20 -0.05 -0.29 2.33 4.05 -0.94 -1.60 114.93 118.63 1nku h MET 34 Ca 0.03 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 1nku h MET 34 Cb 0.69 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 1nku h MET 34 CO 0.05 0.29 -0.09 0.97 0.23 0.00 0.00 176.91 178.36 1nku h ILE 35 N -0.39 1.22 -0.01 1.77 6.09 -1.43 0.73 117.51 125.48 1nku h ILE 35 Ca -0.00 -0.93 -0.01 0.00 -1.37 0.00 0.00 64.86 62.55 1nku h ILE 35 Cb 0.36 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.74 1nku h ILE 35 CO 0.01 0.31 -0.02 0.00 -3.07 0.00 0.00 178.15 175.37 1nku h LEU 37 N -0.56 0.46 -1.54 0.00 3.38 -1.24 -2.99 115.31 112.82 1nku h LEU 37 Ca -0.00 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1nku h LEU 37 Cb 0.63 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1nku h LEU 37 CO 0.00 0.84 0.41 -0.08 0.09 0.00 0.00 178.44 179.70 1nku h GLU 38 N 0.36 0.54 -0.27 1.13 4.57 -0.91 0.16 114.58 120.15 1nku h GLU 38 Ca 0.03 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1nku h GLU 38 Cb 0.91 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1nku h GLU 38 CO 0.08 0.36 0.29 0.78 -1.18 0.00 0.00 179.01 179.33 1nku h GLY 39 N 0.56 0.00 1.37 1.92 0.00 -1.51 -0.61 103.07 104.80 1nku h GLY 39 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.67 1nku h GLY 39 CO -0.08 0.00 0.27 1.46 0.00 0.00 0.00 176.54 178.18 1nku h GLN 40 N 0.00 0.21 -0.62 4.80 1.08 -1.12 -1.41 115.11 118.06 1nku h GLN 40 Ca 0.13 -0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.43 1nku h GLN 40 Cb 0.70 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 1nku h GLN 40 CO -0.00 0.14 0.42 1.96 -0.95 0.00 0.00 178.83 180.40 1nku h GLN 41 N 0.22 0.38 -5.88 1.46 4.20 -1.27 -3.37 115.11 110.86 1nku h GLN 41 Ca 0.17 -0.02 -0.70 0.00 0.06 0.00 0.00 58.65 58.16 1nku h GLN 41 Cb 0.41 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 1nku h GLN 41 CO -0.03 0.25 1.40 0.00 -0.67 0.00 0.00 178.83 179.79 1nku n ALA 42 N -2.52 0.49 -0.35 3.87 0.00 -0.53 0.34 120.51 121.80 1nku n ALA 42 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1nku n ALA 42 Cb 0.41 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 7.08 1.53 0.44 0.00 0.00 -1.26 -5.00 105.19 107.98 1nku n GLY 43 Ca 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.53 0.99 4.77 1.05 -5.16 117.00 114.13 1nku n LEU 44 Ca 0.00 -0.39 -0.26 0.00 -0.03 0.00 0.00 56.01 55.33 1nku n LEU 44 Cb 0.00 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1nku n LEU 44 CO 0.00 -0.06 -0.44 -0.55 -1.33 0.00 0.00 177.39 175.01 1nku s SER 45 N -1.34 3.98 0.19 -1.43 0.15 -1.26 -4.84 113.70 109.15 1nku s SER 45 Ca 0.00 -0.70 -0.12 0.00 0.70 0.00 0.00 55.95 55.83 1nku s SER 45 Cb 0.00 -0.56 0.21 0.00 -1.71 0.00 0.00 66.02 63.96 1nku s SER 45 CO 0.00 0.10 1.74 -0.25 1.20 0.00 0.00 173.24 176.03 1nku h TRP 46 N 2.86 0.32 -0.57 3.44 2.91 -1.99 -0.27 115.95 122.65 1nku h TRP 46 Ca -0.46 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 1nku h TRP 46 Cb 1.21 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.78 1nku h TRP 46 CO 0.68 0.09 0.31 0.97 -1.03 0.00 0.00 178.44 179.45 1nku h ILE 47 N 0.35 1.19 -0.86 2.65 6.09 -2.00 -0.71 117.51 124.23 1nku h ILE 47 Ca 0.26 -0.49 -0.02 0.00 -1.37 0.00 0.00 64.86 63.24 1nku h ILE 47 Cb 0.30 0.47 -0.04 0.00 0.47 0.00 0.00 36.82 38.02 1nku h ILE 47 CO -0.27 0.21 0.45 0.74 -3.07 0.00 0.00 178.15 176.20 1nku h THR 48 N 0.77 1.25 -0.39 2.19 2.02 -1.76 -2.50 112.91 114.49 1nku h THR 48 Ca 0.20 -0.66 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 1nku h THR 48 Cb 0.05 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1nku h THR 48 CO -0.03 0.29 -0.09 0.58 0.37 0.00 0.00 175.52 176.65 1nku h VAL 49 N 1.21 1.27 -0.95 3.16 2.07 -0.56 -2.07 116.25 120.38 1nku h VAL 49 Ca 0.30 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1nku h VAL 49 Cb 0.06 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1nku h VAL 49 CO -0.04 0.39 0.62 -0.07 0.02 0.00 0.00 177.57 178.49 1nku h LEU 50 N 0.56 1.06 0.45 2.57 3.38 -0.88 1.71 115.31 124.16 1nku h LEU 50 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1nku h LEU 50 Cb 0.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1nku h LEU 50 CO 0.04 0.74 -0.22 0.50 0.09 0.00 0.00 178.44 179.59 1nku h LYS 51 N 1.24 -0.59 -0.33 1.13 3.64 -1.32 -2.78 116.57 117.57 1nku h LYS 51 Ca 0.37 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.75 1nku h LYS 51 Cb -0.06 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1nku h LYS 51 CO -0.10 -0.30 0.03 0.87 -2.27 0.00 0.00 179.45 177.68 1nku h LYS 52 N -0.83 0.49 -0.81 1.90 1.79 -1.09 -2.24 116.57 115.78 1nku h LYS 52 Ca -0.06 -0.09 0.16 0.00 -2.18 0.00 0.00 60.65 58.48 1nku h LYS 52 Cb 0.56 -0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 31.03 1nku h LYS 52 CO 0.10 0.49 0.34 -0.09 -1.08 0.00 0.00 179.45 179.21 1nku h ARG 53 N 0.47 0.44 -0.59 3.15 2.43 0.28 1.20 114.38 121.76 1nku h ARG 53 Ca 0.11 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1nku h ARG 53 Cb 0.26 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1nku h ARG 53 CO 0.00 0.29 0.17 1.49 -1.51 0.00 0.00 179.97 180.41 1nku h GLU 54 N 0.45 0.93 -0.54 0.20 4.81 -1.14 -1.20 114.58 118.09 1nku h GLU 54 Ca 0.46 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1nku h GLU 54 Cb 0.74 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1nku h GLU 54 CO -0.44 0.85 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.77 1nku h ASN 55 N 0.85 0.94 -0.72 1.04 2.35 -0.17 -2.56 115.58 117.31 1nku h ASN 55 Ca 0.19 -0.31 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1nku h ASN 55 Cb 0.31 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1nku h ASN 55 CO -0.00 1.03 0.46 1.88 -1.65 0.00 0.00 177.43 179.14 1nku h TYR 56 N 0.84 0.86 -0.23 1.19 -1.99 0.16 -0.03 116.97 117.77 1nku h TYR 56 Ca 0.15 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 1nku h TYR 56 Cb 0.55 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1nku h TYR 56 CO 0.04 0.50 0.12 0.00 -0.00 0.00 0.00 178.16 178.82 1nku h ARG 57 N 0.90 0.32 -0.86 4.88 3.08 -0.98 0.77 114.38 122.48 1nku h ARG 57 Ca 0.28 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1nku h ARG 57 Cb -0.01 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1nku h ARG 57 CO -0.10 0.24 0.55 0.00 -1.07 0.00 0.00 179.97 179.60 1nku h ALA 58 N 1.81 1.14 0.06 0.04 0.00 -0.60 0.50 119.26 122.22 1nku h ALA 58 Ca 0.08 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.62 1nku h ALA 58 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1nku h ALA 58 CO -0.01 0.39 -1.90 0.00 0.00 0.00 0.00 179.25 177.73 1nku h PHE 60 N -0.33 0.71 -0.82 0.00 -1.00 0.53 -3.01 116.94 113.01 1nku h PHE 60 Ca -0.45 -0.40 0.11 0.00 2.81 0.00 0.00 57.97 60.04 1nku h PHE 60 Cb 1.78 -0.07 -0.08 0.00 3.61 0.00 0.00 35.95 41.19 1nku h PHE 60 CO 0.06 1.24 0.45 1.25 -1.61 0.00 0.00 178.31 179.71 1nku h HIS 61 N -0.02 0.81 -0.53 -0.55 2.76 -0.10 0.28 115.15 117.81 1nku h HIS 61 Ca -0.10 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 1nku h HIS 61 Cb 1.47 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 30.16 1nku h HIS 61 CO 0.14 0.30 0.21 0.37 -1.30 0.00 0.00 177.93 177.65 1nku h GLN 62 N 0.73 0.76 -2.97 5.26 4.15 -1.62 -3.03 115.11 118.39 1nku h GLN 62 Ca 0.41 -0.11 -0.78 0.00 0.77 0.00 0.00 58.65 58.93 1nku h GLN 62 Cb 0.43 -0.14 -0.21 0.00 0.21 0.00 0.00 27.48 27.77 1nku h GLN 62 CO -0.28 0.63 1.50 1.19 -1.93 0.00 0.00 178.83 179.95 1nku n PHE 63 N -4.34 2.59 -0.80 3.99 3.01 0.99 -5.02 117.46 117.89 1nku n PHE 63 Ca 0.04 -2.68 -0.29 0.00 1.01 0.00 0.00 57.45 55.54 1nku n PHE 63 Cb 0.16 -1.57 0.03 0.00 -0.01 0.00 0.00 39.48 38.09 1nku n PHE 63 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1nku n ASP 64 N 2.05 -4.74 -0.25 4.37 5.75 -1.15 -4.18 116.55 118.40 1nku n ASP 64 Ca 0.39 0.14 0.14 0.00 -0.01 0.00 0.00 54.79 55.45 1nku n ASP 64 Cb 0.32 -0.60 0.43 0.00 -1.03 0.00 0.00 41.12 40.24 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1nku h PRO 65 N -0.80 0.56 -0.38 0.11 0.13 -1.91 -1.56 132.00 128.15 1nku h PRO 65 Ca -0.35 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1nku h PRO 65 Cb 1.05 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 1nku h PRO 65 CO 0.18 0.37 0.25 -0.24 -0.23 0.00 0.00 178.00 178.34 1nku h VAL 66 N 0.58 1.10 -0.15 1.56 3.04 -1.97 -1.38 116.25 119.02 1nku h VAL 66 Ca 0.45 -0.18 -0.08 0.00 -1.01 0.00 0.00 66.70 65.88 1nku h VAL 66 Cb 0.86 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1nku h VAL 66 CO -0.19 0.09 -0.28 0.11 -1.01 0.00 0.00 177.57 176.30 1nku h LYS 67 N 0.51 0.27 -0.66 4.17 1.57 -1.58 -2.68 116.57 118.19 1nku h LYS 67 Ca 0.14 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nku h LYS 67 Cb -0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1nku h LYS 67 CO -0.03 0.53 0.41 0.28 -0.57 0.00 0.00 179.45 180.07 1nku h VAL 68 N 0.24 1.18 0.00 0.50 2.07 -0.48 0.48 116.25 120.25 1nku h VAL 68 Ca 0.04 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1nku h VAL 68 Cb 0.62 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1nku h VAL 68 CO 0.04 0.18 -0.39 0.00 0.02 0.00 0.00 177.57 177.43 1nku h ALA 69 N 1.22 1.35 -0.69 1.67 0.00 -1.12 -1.93 119.26 119.77 1nku h ALA 69 Ca 0.24 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1nku h ALA 69 Cb -0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 1nku h ALA 69 CO -0.05 0.48 0.19 0.00 0.00 0.00 0.00 179.25 179.88 1nku n ALA 70 N -2.46 4.38 -1.77 0.00 0.00 -0.43 -4.81 120.51 115.42 1nku n ALA 70 Ca -0.02 -2.24 -0.36 0.00 0.00 0.00 0.00 53.44 50.83 1nku n ALA 70 Cb 0.42 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.67 1nku n ALA 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1nku s MET 71 N -2.94 3.33 0.13 0.00 1.75 0.16 -4.97 119.30 116.75 1nku s MET 71 Ca 0.55 1.72 0.03 0.00 -1.25 0.00 0.00 55.69 56.74 1nku s MET 71 Cb 0.43 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 36.00 1nku s MET 71 CO 0.14 -0.89 0.16 -0.65 -0.65 0.00 0.00 175.02 173.13 1nku s GLN 72 N -3.17 3.08 0.48 4.11 -1.52 -1.26 -4.98 119.66 116.40 1nku s GLN 72 Ca 0.72 -0.71 0.18 0.00 -1.95 0.00 0.00 55.36 53.60 1nku s GLN 72 Cb -0.27 -2.79 1.19 0.00 -0.22 0.00 0.00 33.01 30.92 1nku s GLN 72 CO 0.31 0.53 2.02 0.93 -0.25 0.00 0.00 175.29 178.83 1nku h GLU 73 N 2.66 0.20 -0.87 2.91 5.08 -2.01 0.52 114.58 123.07 1nku h GLU 73 Ca -0.47 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 57.97 1nku h GLU 73 Cb 1.18 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1nku h GLU 73 CO 0.67 0.13 0.56 0.93 -1.00 0.00 0.00 179.01 180.30 1nku h GLU 74 N 0.21 0.82 -0.77 2.33 5.08 -2.01 0.12 114.58 120.36 1nku h GLU 74 Ca 0.21 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1nku h GLU 74 Cb 0.57 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1nku h GLU 74 CO -0.04 0.54 0.44 -0.44 -1.00 0.00 0.00 179.01 178.52 1nku h ASP 75 N 0.85 0.94 -0.40 1.42 3.32 -1.28 -2.36 116.42 118.91 1nku h ASP 75 Ca 0.40 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 1nku h ASP 75 Cb 0.42 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1nku h ASP 75 CO -0.17 0.74 0.23 0.58 -1.72 0.00 0.00 179.24 178.90 1nku h VAL 76 N 1.07 1.14 -0.50 -1.35 2.07 -0.99 -1.61 116.25 116.09 1nku h VAL 76 Ca 0.27 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1nku h VAL 76 Cb -0.01 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1nku h VAL 76 CO -0.05 0.15 -0.02 -0.33 0.02 0.00 0.00 177.57 177.34 1nku h GLU 77 N 0.52 0.85 -0.34 1.57 3.07 -1.28 -0.36 114.58 118.61 1nku h GLU 77 Ca 0.14 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.71 1nku h GLU 77 Cb 0.04 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1nku h GLU 77 CO -0.02 0.87 0.04 0.00 -1.40 0.00 0.00 179.01 178.50 1nku h ARG 78 N 0.79 0.57 -0.14 2.33 3.08 -1.13 -2.61 114.38 117.27 1nku h ARG 78 Ca 0.15 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1nku h ARG 78 Cb 0.50 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1nku h ARG 78 CO 0.03 0.66 -0.44 -0.07 -1.07 0.00 0.00 179.97 179.08 1nku h LEU 79 N 0.39 0.36 -1.18 3.04 3.38 -1.17 0.50 115.31 120.63 1nku h LEU 79 Ca 0.10 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1nku h LEU 79 Cb 0.38 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1nku h LEU 79 CO 0.01 0.76 0.57 0.58 0.09 0.00 0.00 178.44 180.44 1nku h VAL 80 N 0.28 1.11 0.00 1.22 2.07 -0.83 -3.16 116.25 116.94 1nku h VAL 80 Ca 0.02 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 1nku h VAL 80 Cb 0.89 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1nku h VAL 80 CO 0.07 0.19 -0.81 -0.61 0.02 0.00 0.00 177.57 176.44 1nku h GLN 81 N 1.03 0.00 -7.22 1.57 5.75 -1.14 -3.47 115.11 111.63 1nku h GLN 81 Ca 0.36 0.00 -0.48 0.00 -0.15 0.00 0.00 58.65 58.38 1nku h GLN 81 Cb 0.10 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.68 1nku h GLN 81 CO -0.12 0.63 0.38 -0.51 -2.65 0.00 0.00 178.83 176.56 1nku s ASP 82 N -6.36 6.54 0.00 -0.69 1.01 0.17 -4.70 116.67 112.64 1nku s ASP 82 Ca -0.21 1.53 0.00 0.00 0.71 0.00 0.00 52.55 54.57 1nku s ASP 82 Cb 0.03 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1nku s ASP 82 CO 0.45 -0.64 0.00 0.00 0.21 0.00 0.00 175.17 175.19 1nku n ALA 83 N -1.82 -2.35 0.03 5.23 0.00 -1.26 -4.45 120.51 115.89 1nku n ALA 83 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1nku n ALA 83 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1nku n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 84 N -0.17 -0.02 0.00 0.00 0.00 -1.26 -4.70 105.19 99.04 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 -0.66 0.00 -1.72 -0.61 -5.35 -1.26 -4.79 119.36 104.96 1nku n ILE 85 Ca 0.00 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.09 1nku n ILE 85 Cb 0.00 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 37.93 1nku n ILE 85 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1nku n ILE 86 N -2.23 3.18 -3.68 7.28 5.41 -1.26 -4.96 119.36 123.10 1nku n ILE 86 Ca 0.00 -0.50 -0.37 0.00 1.00 0.00 0.00 62.75 62.88 1nku n ILE 86 Cb 0.00 -1.62 -0.10 0.00 -0.71 0.00 0.00 39.64 37.21 1nku n ILE 86 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1nku s ARG 87 N -2.55 3.98 0.00 0.38 0.52 -1.26 -4.98 118.95 115.05 1nku s ARG 87 Ca 0.66 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.56 1nku s ARG 87 Cb -0.45 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1nku s ARG 87 CO 0.54 -0.01 0.00 1.58 0.02 0.00 0.00 175.30 177.42 1nku n HIS 88 N 4.50 0.00 -0.23 -0.53 -0.00 -1.26 -5.01 115.22 112.70 1nku n HIS 88 Ca -0.15 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.22 1nku n HIS 88 Cb 0.52 0.00 0.53 0.00 -0.12 0.00 0.00 29.99 30.92 1nku n HIS 88 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1nku h ARG 89 N 0.00 0.36 -0.63 1.57 2.43 -1.97 0.31 114.38 116.46 1nku h ARG 89 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1nku h ARG 89 Cb 0.00 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1nku h ARG 89 CO 0.00 0.24 0.41 0.78 -1.51 0.00 0.00 179.97 179.89 1nku h GLY 90 N 0.37 0.90 0.99 2.80 0.00 -1.99 -1.88 103.07 104.26 1nku h GLY 90 Ca 0.45 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1nku h GLY 90 CO -0.16 0.34 0.20 0.50 0.00 0.00 0.00 176.54 177.43 1nku h LYS 91 N 0.86 0.86 -0.32 4.80 1.57 -1.34 -1.74 116.57 121.25 1nku h LYS 91 Ca 0.23 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1nku h LYS 91 Cb -0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1nku h LYS 91 CO -0.05 0.76 0.20 0.82 -0.57 0.00 0.00 179.45 180.62 1nku h ILE 92 N 0.78 1.07 -0.63 1.86 2.04 -1.23 -1.74 117.51 119.66 1nku h ILE 92 Ca 0.19 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1nku h ILE 92 Cb 0.24 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1nku h ILE 92 CO -0.01 0.08 0.42 -0.61 0.00 0.00 0.00 178.15 178.02 1nku h GLN 93 N 0.42 0.76 -0.60 2.37 5.75 -1.11 -2.14 115.11 120.55 1nku h GLN 93 Ca 0.12 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1nku h GLN 93 Cb -0.04 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1nku h GLN 93 CO -0.04 0.50 0.37 0.00 -2.65 0.00 0.00 178.83 177.02 1nku h ALA 94 N 1.62 0.77 -0.99 3.38 0.00 -0.42 -2.17 119.26 121.45 1nku h ALA 94 Ca 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1nku h ALA 94 Cb 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1nku h ALA 94 CO -0.06 0.25 0.66 0.82 0.00 0.00 0.00 179.25 180.91 1nku h ILE 95 N 0.82 1.22 -0.39 0.00 5.03 -1.02 -1.97 117.51 121.20 1nku h ILE 95 Ca 0.22 -0.45 0.02 0.00 -0.12 0.00 0.00 64.86 64.52 1nku h ILE 95 Cb -0.03 -0.21 -0.03 0.00 -3.03 0.00 0.00 36.82 33.53 1nku h ILE 95 CO -0.04 0.24 0.23 0.40 -0.68 0.00 0.00 178.15 178.30 1nku h ILE 96 N 1.31 1.04 -0.46 -0.67 2.04 -1.21 -1.92 117.51 117.64 1nku h ILE 96 Ca 0.38 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 1nku h ILE 96 Cb -0.10 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1nku h ILE 96 CO -0.10 0.08 0.19 1.23 0.00 0.00 0.00 178.15 179.56 1nku h GLY 97 N 0.46 0.74 1.31 5.37 0.00 -1.05 -2.66 103.07 107.24 1nku h GLY 97 Ca 0.16 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1nku h GLY 97 CO -0.07 0.38 0.45 3.43 0.00 0.00 0.00 176.54 180.73 1nku h ASN 98 N 0.61 0.77 -0.52 0.19 2.35 -1.07 -2.22 115.58 115.69 1nku h ASN 98 Ca 0.15 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1nku h ASN 98 Cb 0.18 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1nku h ASN 98 CO -0.01 0.55 0.22 0.00 -1.65 0.00 0.00 177.43 176.54 1nku h ALA 99 N 1.58 0.67 -0.63 -0.83 0.00 -1.01 0.35 119.26 119.39 1nku h ALA 99 Ca 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nku h ALA 99 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1nku h ALA 99 CO -0.06 0.27 0.40 -0.09 0.00 0.00 0.00 179.25 179.77 1nku h ARG 100 N 0.70 0.85 -0.27 0.00 2.43 -1.20 0.21 114.38 117.10 1nku h ARG 100 Ca 0.17 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1nku h ARG 100 Cb 0.18 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1nku h ARG 100 CO -0.02 0.60 -0.26 0.00 -1.51 0.00 0.00 179.97 178.78 1nku h ALA 101 N 1.21 0.40 -0.48 2.80 0.00 -1.12 -2.55 119.26 119.51 1nku h ALA 101 Ca 0.23 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nku h ALA 101 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1nku h ALA 101 CO -0.05 0.39 0.29 -0.92 0.00 0.00 0.00 179.25 178.97 1nku h TYR 102 N 0.39 0.63 -0.71 0.00 5.03 0.07 -2.21 116.97 120.17 1nku h TYR 102 Ca 0.04 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1nku h TYR 102 Cb 0.83 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.87 1nku h TYR 102 CO 0.07 0.43 0.41 1.25 -1.32 0.00 0.00 178.16 179.00 1nku h LEU 103 N 0.64 0.85 -1.01 2.82 5.85 -0.56 -1.85 115.31 122.06 1nku h LEU 103 Ca 0.17 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1nku h LEU 103 Cb -0.02 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 1nku h LEU 103 CO -0.03 0.67 0.66 -0.61 -0.34 0.00 0.00 178.44 178.78 1nku h GLN 104 N 0.97 1.22 -0.84 1.25 5.75 -0.97 -1.37 115.11 121.13 1nku h GLN 104 Ca 0.25 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 1nku h GLN 104 Cb -0.01 -0.28 -0.04 0.00 1.07 0.00 0.00 27.48 28.22 1nku h GLN 104 CO -0.04 0.81 0.41 1.98 -2.65 0.00 0.00 178.83 179.34 1nku h MET 105 N 1.26 1.19 0.00 1.69 4.05 -1.07 -1.95 114.93 120.10 1nku h MET 105 Ca 0.41 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1nku h MET 105 Cb 0.03 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.61 1nku h MET 105 CO -0.14 0.91 -0.28 1.49 0.23 0.00 0.00 176.91 179.13 1nku h GLU 106 N 1.18 0.00 -0.75 0.39 4.81 -1.07 -2.68 114.58 116.47 1nku h GLU 106 Ca 0.29 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.69 1nku h GLU 106 Cb 0.10 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1nku h GLU 106 CO -0.04 0.28 0.51 1.96 -0.73 0.00 0.00 179.01 180.99 1nku h GLN 107 N 0.00 0.25 -0.05 1.92 1.08 -0.58 0.81 115.11 118.55 1nku h GLN 107 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1nku h GLN 107 Cb 0.53 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1nku h GLN 107 CO 0.04 0.16 0.00 0.27 -0.95 0.00 0.00 178.83 178.35 1nku n ASN 108 N -4.43 0.94 -0.88 1.46 0.23 -1.01 -4.88 115.26 106.69 1nku n ASN 108 Ca 0.15 -1.42 -0.09 0.00 -0.53 0.00 0.00 54.58 52.68 1nku n ASN 108 Cb 0.64 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 38.29 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nku n GLY 109 N 1.06 0.62 3.25 4.83 0.00 0.28 -4.99 105.19 110.25 1nku n GLY 109 Ca 0.19 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1nku n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nku s GLU 110 N -3.53 2.54 0.20 1.61 2.12 -1.23 -5.05 118.70 115.35 1nku s GLU 110 Ca 0.00 -1.39 -0.32 0.00 0.36 0.00 0.00 54.97 53.62 1nku s GLU 110 Cb 0.00 -3.62 -0.15 0.00 0.26 0.00 0.00 34.13 30.62 1nku s GLU 110 CO 0.00 -0.85 1.28 -2.30 -0.54 0.00 0.00 175.26 172.85 1nku n PRO 111 N 4.83 1.54 -0.31 4.30 -0.02 -1.26 -4.41 135.00 139.68 1nku n PRO 111 Ca -0.10 0.55 -0.03 0.00 -2.02 0.00 0.00 63.50 61.90 1nku n PRO 111 Cb 0.43 -2.12 0.10 0.00 -0.02 0.00 0.00 33.50 31.89 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 3.80 1.04 -0.55 6.00 3.57 -1.92 -1.55 116.94 127.33 1nku h PHE 112 Ca -0.44 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1nku h PHE 112 Cb 1.31 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1nku h PHE 112 CO 0.55 0.63 0.31 0.00 -2.23 0.00 0.00 178.31 177.57 1nku h ALA 113 N 1.33 1.52 -0.94 2.41 0.00 -1.87 -1.69 119.26 120.02 1nku h ALA 113 Ca 0.33 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1nku h ALA 113 Cb -0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 1nku h ALA 113 CO -0.09 0.41 0.61 0.22 0.00 0.00 0.00 179.25 180.40 1nku h ASP 114 N 0.75 0.97 -0.54 0.00 3.58 -1.59 -1.38 116.42 118.21 1nku h ASP 114 Ca 0.20 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.61 1nku h ASP 114 Cb -0.00 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 1nku h ASP 114 CO -0.03 0.63 0.17 0.15 -2.88 0.00 0.00 179.24 177.27 1nku h PHE 115 N 1.10 0.87 -0.27 0.28 3.57 -1.23 -0.74 116.94 120.53 1nku h PHE 115 Ca 0.40 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.82 1nku h PHE 115 Cb 0.16 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1nku h PHE 115 CO -0.00 0.74 0.16 0.28 -2.23 0.00 0.00 178.31 177.25 1nku h VAL 116 N 0.75 1.04 -0.22 1.41 2.07 -1.10 -2.01 116.25 118.19 1nku h VAL 116 Ca 0.17 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1nku h VAL 116 Cb 0.27 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1nku h VAL 116 CO -0.01 0.06 -0.14 -0.50 0.02 0.00 0.00 177.57 177.01 1nku h TRP 117 N 0.33 0.39 -0.85 1.57 4.06 -1.16 -2.83 115.95 117.46 1nku h TRP 117 Ca 0.10 -0.05 0.03 0.00 2.06 0.00 0.00 58.89 61.03 1nku h TRP 117 Cb -0.01 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.00 1nku h TRP 117 CO -0.07 0.50 0.56 1.03 -3.56 0.00 0.00 178.44 176.89 1nku h SER 118 N 0.34 0.93 0.14 -3.49 0.87 -0.38 0.57 113.55 112.53 1nku h SER 118 Ca 0.07 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1nku h SER 118 Cb 0.45 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1nku h SER 118 CO 0.03 0.65 -0.17 -0.26 -0.53 0.00 0.00 176.83 176.54 1nku h PHE 119 N 1.08 0.08 -0.57 2.24 -1.00 -1.24 -1.51 116.94 116.01 1nku h PHE 119 Ca 0.33 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.10 1nku h PHE 119 Cb -0.01 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.53 1nku h PHE 119 CO -0.00 0.25 0.00 1.33 -1.61 0.00 0.00 178.31 178.28 1nku n VAL 120 N -4.30 2.30 -3.71 -0.55 0.24 -0.69 -4.92 118.33 106.70 1nku n VAL 120 Ca -0.02 -1.37 -0.26 0.00 -2.04 0.00 0.00 64.34 60.66 1nku n VAL 120 Cb 0.26 -0.09 0.06 0.00 -1.47 0.00 0.00 33.84 32.59 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nku n ASN 121 N 0.70 -5.10 -2.43 -1.34 5.03 -0.57 -1.04 115.26 110.51 1nku n ASN 121 Ca 0.26 -0.65 -0.04 0.00 0.87 0.00 0.00 54.58 55.02 1nku n ASN 121 Cb 1.02 -4.55 -0.00 0.00 -1.02 0.00 0.00 39.78 35.23 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1nku n HIS 122 N -4.77 -1.79 -3.97 3.10 -0.00 0.19 -4.84 115.22 103.13 1nku n HIS 122 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.39 1nku n HIS 122 Cb 0.56 -1.50 -0.14 0.00 -0.00 0.00 0.00 29.99 28.91 1nku n HIS 122 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1nku s GLN 123 N -4.90 1.78 0.48 1.57 -0.21 -0.21 -5.09 119.66 113.09 1nku s GLN 123 Ca 0.00 -2.29 -0.21 0.00 0.02 0.00 0.00 55.36 52.88 1nku s GLN 123 Cb 0.00 -3.29 -0.10 0.00 1.00 0.00 0.00 33.01 30.62 1nku s GLN 123 CO 0.00 -1.04 0.68 -2.30 -2.12 0.00 0.00 175.29 170.51 1nku n PRO 124 N 3.64 0.76 -4.03 2.91 -0.02 -1.26 -4.93 135.00 132.06 1nku n PRO 124 Ca 0.04 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.48 1nku n PRO 124 Cb 0.37 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 1nku n PRO 124 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nku s GLN 125 N -1.93 3.14 0.14 -0.52 1.11 -1.10 -5.00 119.66 115.50 1nku s GLN 125 Ca 0.66 -0.50 0.09 0.00 0.01 0.00 0.00 55.36 55.62 1nku s GLN 125 Cb -0.53 -2.89 -0.04 0.00 -1.01 0.00 0.00 33.01 28.54 1nku s GLN 125 CO 0.56 0.63 -0.21 0.00 0.01 0.00 0.00 175.29 176.27 1nku s MET 126 N -2.06 1.25 0.10 2.91 0.23 -1.26 -0.06 119.30 120.41 1nku s MET 126 Ca 0.27 -1.30 0.04 0.00 -1.03 0.00 0.00 55.69 53.67 1nku s MET 126 Cb -0.12 -1.48 -0.04 0.00 -1.53 0.00 0.00 34.83 31.66 1nku s MET 126 CO 0.19 0.33 -0.10 -0.08 -2.03 0.00 0.00 175.02 173.33 1nku s THR 127 N -1.49 0.99 -0.42 3.16 -1.32 -1.11 -4.86 115.64 110.58 1nku s THR 127 Ca 0.12 -1.68 0.08 0.00 -1.21 0.00 0.00 61.69 59.00 1nku s THR 127 Cb -0.08 -1.41 0.42 0.00 -1.51 0.00 0.00 72.50 69.91 1nku s THR 127 CO 0.06 -0.56 1.05 1.67 -2.21 0.00 0.00 174.62 174.63 1nku n GLN 128 N 0.49 2.84 -2.56 7.08 7.27 -1.26 -4.88 117.38 126.37 1nku n GLN 128 Ca -0.16 -4.23 -0.41 0.00 0.07 0.00 0.00 57.00 52.27 1nku n GLN 128 Cb 0.58 -2.01 -0.04 0.00 2.41 0.00 0.00 30.24 31.18 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 -3.41 3.33 0.01 1.69 0.00 -1.26 -4.88 121.76 117.23 1nku s ALA 129 Ca 0.43 0.74 0.08 0.00 0.00 0.00 0.00 51.96 53.21 1nku s ALA 129 Cb 0.40 -3.36 -0.23 0.00 0.00 0.00 0.00 23.12 19.93 1nku s ALA 129 CO -0.13 -0.22 0.85 1.15 0.00 0.00 0.00 175.76 177.41 1nku h THR 130 N 4.06 1.13 -2.88 0.00 2.02 -1.97 -2.90 112.91 112.38 1nku h THR 130 Ca -0.43 -2.90 -0.58 0.00 0.77 0.00 0.00 66.41 63.26 1nku h THR 130 Cb 1.21 2.60 -0.17 0.00 -1.74 0.00 0.00 68.15 70.06 1nku h THR 130 CO 0.74 0.70 -0.78 -0.89 0.37 0.00 0.00 175.52 175.66 1nku s THR 131 N -2.63 2.19 0.31 3.16 2.01 -1.26 -4.77 115.64 114.65 1nku s THR 131 Ca -0.05 -2.14 0.03 0.00 0.31 0.00 0.00 61.69 59.85 1nku s THR 131 Cb 0.08 -2.10 0.29 0.00 0.01 0.00 0.00 72.50 70.79 1nku s THR 131 CO 0.83 -0.31 1.86 -0.07 -0.69 0.00 0.00 174.62 176.24 1nku h LEU 132 N 2.86 0.84 -1.49 4.42 3.38 -1.97 0.07 115.31 123.41 1nku h LEU 132 Ca -0.42 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1nku h LEU 132 Cb 1.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1nku h LEU 132 CO 0.54 0.46 -0.07 -1.28 0.09 0.00 0.00 178.44 178.19 1nku h SER 133 N 0.91 0.23 0.07 -0.43 0.87 -1.99 -2.18 113.55 111.02 1nku h SER 133 Ca 0.46 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 1nku h SER 133 Cb 0.49 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1nku h SER 133 CO -0.22 0.34 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.04 1nku h GLU 134 N 0.24 0.00 -6.26 2.24 4.39 -1.37 -3.41 114.58 110.42 1nku h GLU 134 Ca 0.05 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.19 1nku h GLU 134 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1nku h GLU 134 CO 0.01 0.05 1.13 0.42 -1.16 0.00 0.00 179.01 179.46 1nku s ILE 135 N -4.77 3.61 0.29 3.13 1.09 -0.82 -4.86 121.20 118.87 1nku s ILE 135 Ca -0.05 0.71 -0.28 0.00 -1.10 0.00 0.00 60.65 59.93 1nku s ILE 135 Cb 0.16 -3.56 -0.14 0.00 -1.06 0.00 0.00 42.46 37.86 1nku s ILE 135 CO 0.63 -0.18 1.06 -2.65 -0.10 0.00 0.00 174.94 173.70 1nku n PRO 136 N 7.50 1.47 -0.07 2.79 -0.02 -1.26 -4.90 135.00 140.52 1nku n PRO 136 Ca 0.19 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 1nku n PRO 136 Cb 0.44 -1.93 0.12 0.00 -0.02 0.00 0.00 33.50 32.11 1nku n PRO 136 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1nku n THR 137 N 0.31 0.27 -3.00 3.45 5.66 -1.26 -4.74 114.28 114.97 1nku n THR 137 Ca 0.09 -0.64 -0.12 0.00 -3.05 0.00 0.00 64.05 60.34 1nku n THR 137 Cb 0.32 1.12 -0.03 0.00 -1.55 0.00 0.00 70.33 70.19 1nku n THR 137 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1nku s SER 138 N -1.30 -0.45 0.43 1.09 0.01 -1.26 -4.91 113.70 107.31 1nku s SER 138 Ca 0.24 -2.11 -0.21 0.00 1.31 0.00 0.00 55.95 55.18 1nku s SER 138 Cb 0.15 1.12 -0.11 0.00 0.21 0.00 0.00 66.02 67.39 1nku s SER 138 CO 0.22 -0.10 0.95 0.42 0.41 0.00 0.00 173.24 175.14 1nku s THR 139 N 0.68 4.37 0.46 1.44 -4.23 -1.26 -4.92 115.64 112.18 1nku s THR 139 Ca 0.30 1.48 0.26 0.00 -1.18 0.00 0.00 61.69 62.55 1nku s THR 139 Cb 0.00 -3.60 0.46 0.00 1.34 0.00 0.00 72.50 70.71 1nku s THR 139 CO -0.10 -0.32 1.78 -0.65 -0.54 0.00 0.00 174.62 174.80 1nku h PRO 140 N 1.90 0.21 -0.19 3.99 0.11 -2.01 0.21 132.00 136.23 1nku h PRO 140 Ca -0.49 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.43 1nku h PRO 140 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nku h PRO 140 CO 0.61 0.14 -0.59 0.00 -0.21 0.00 0.00 178.00 177.95 1nku h ALA 141 N 1.54 0.60 -0.63 -0.75 0.00 -1.95 -2.75 119.26 115.32 1nku h ALA 141 Ca 0.59 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nku h ALA 141 Cb 1.85 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 1nku h ALA 141 CO -0.19 0.70 0.40 0.77 0.00 0.00 0.00 179.25 180.93 1nku h SER 142 N 0.47 0.66 -0.62 0.00 0.02 -0.94 0.50 113.55 113.64 1nku h SER 142 Ca -0.00 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1nku h SER 142 Cb 1.16 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1nku h SER 142 CO 0.12 0.47 0.14 0.44 -1.14 0.00 0.00 176.83 176.85 1nku h ASP 143 N 0.79 0.95 -0.32 3.07 3.32 -1.47 -1.11 116.42 121.66 1nku h ASP 143 Ca 0.25 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1nku h ASP 143 Cb -0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1nku h ASP 143 CO -0.09 0.94 -0.22 0.00 -1.72 0.00 0.00 179.24 178.15 1nku h ALA 144 N 1.04 0.45 -0.60 3.45 0.00 -1.08 -2.72 119.26 119.81 1nku h ALA 144 Ca 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1nku h ALA 144 Cb 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1nku h ALA 144 CO 0.00 0.42 0.28 1.25 0.00 0.00 0.00 179.25 181.21 1nku h LEU 145 N 0.47 0.79 -0.80 0.00 6.46 0.14 -2.11 115.31 120.26 1nku h LEU 145 Ca 0.06 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1nku h LEU 145 Cb 0.78 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 1nku h LEU 145 CO 0.06 0.71 0.52 0.28 -0.62 0.00 0.00 178.44 179.39 1nku h SER 146 N 0.83 0.89 -0.80 1.25 0.02 -1.15 -1.44 113.55 113.15 1nku h SER 146 Ca 0.21 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1nku h SER 146 Cb 0.13 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1nku h SER 146 CO -0.03 0.63 0.43 0.50 -1.14 0.00 0.00 176.83 177.23 1nku h LYS 147 N 1.05 1.13 -0.23 3.45 3.64 -1.13 -0.97 116.57 123.51 1nku h LYS 147 Ca 0.30 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1nku h LYS 147 Cb -0.07 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 1nku h LYS 147 CO -0.08 0.83 0.02 0.00 -2.27 0.00 0.00 179.45 177.95 1nku h ALA 148 N 1.34 0.31 -0.66 5.00 0.00 -0.65 -2.48 119.26 122.12 1nku h ALA 148 Ca 0.28 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1nku h ALA 148 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1nku h ALA 148 CO -0.04 0.01 0.20 -0.07 0.00 0.00 0.00 179.25 179.34 1nku h LEU 149 N 0.18 0.95 -0.93 0.00 3.38 -1.02 -2.30 115.31 115.58 1nku h LEU 149 Ca 0.07 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1nku h LEU 149 Cb 0.37 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1nku h LEU 149 CO 0.01 0.90 0.60 0.11 0.09 0.00 0.00 178.44 180.15 1nku h LYS 150 N 0.98 1.11 -0.60 1.13 1.57 -1.00 -0.36 116.57 119.41 1nku h LYS 150 Ca 0.22 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1nku h LYS 150 Cb 0.29 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1nku h LYS 150 CO -0.01 0.74 0.27 -0.22 -0.57 0.00 0.00 179.45 179.66 1nku h LYS 151 N 1.15 0.86 0.00 3.15 3.64 -0.96 -0.55 116.57 123.85 1nku h LYS 151 Ca 0.38 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1nku h LYS 151 Cb 0.05 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1nku h LYS 151 CO -0.13 0.68 -0.01 0.00 -2.27 0.00 0.00 179.45 177.71 1nku h ARG 152 N 0.85 0.00 0.00 1.90 2.47 -0.70 -3.45 114.38 115.46 1nku h ARG 152 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1nku h ARG 152 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1nku h ARG 152 CO -0.03 0.01 0.00 0.41 0.56 0.00 0.00 179.97 180.92 1nku n GLY 153 N -0.67 0.95 3.76 0.04 0.00 -0.22 -4.87 105.19 104.19 1nku n GLY 153 Ca -0.02 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 3.66 0.53 1.61 0.40 -1.02 -4.84 117.98 116.32 1nku s PHE 154 Ca 0.00 1.76 0.07 0.00 -0.60 0.00 0.00 56.93 58.16 1nku s PHE 154 Cb 0.00 -3.15 0.04 0.00 0.51 0.00 0.00 43.02 40.42 1nku s PHE 154 CO 0.00 -0.22 0.52 0.15 0.70 0.00 0.00 175.22 176.37 1nku s LYS 155 N -1.55 2.33 -1.74 0.44 1.02 -1.26 -4.55 119.74 114.43 1nku s LYS 155 Ca 0.46 -1.82 -0.17 0.00 0.02 0.00 0.00 55.97 54.46 1nku s LYS 155 Cb -0.28 -2.32 0.16 0.00 -0.52 0.00 0.00 37.83 34.87 1nku s LYS 155 CO 0.36 -0.61 0.57 1.97 -0.92 0.00 0.00 175.35 176.71 1nku n PHE 156 N -1.87 -1.43 -1.17 3.18 -1.74 -1.26 -4.78 117.46 108.39 1nku n PHE 156 Ca 0.04 0.72 -0.02 0.00 -0.56 0.00 0.00 57.45 57.64 1nku n PHE 156 Cb 0.63 -2.54 0.25 0.00 1.52 0.00 0.00 39.48 39.33 1nku n PHE 156 CO 0.00 0.00 0.00 1.55 -0.56 0.00 0.00 176.76 177.75 1nku n VAL 157 N -4.28 2.62 -1.09 1.97 3.14 -1.26 -4.73 118.33 114.70 1nku n VAL 157 Ca 0.01 -2.10 -0.37 0.00 -2.96 0.00 0.00 64.34 58.92 1nku n VAL 157 Cb 0.52 -0.32 0.03 0.00 -1.06 0.00 0.00 33.84 33.01 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 -0.66 -3.96 0.31 7.55 0.00 -1.26 -4.54 105.19 102.63 1nku n GLY 158 Ca 0.33 -0.57 0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.66 0.24 -0.28 2.61 1.03 -1.96 -2.04 112.91 111.85 1nku h THR 159 Ca -0.43 -0.17 -0.07 0.00 -0.01 0.00 0.00 66.41 65.73 1nku h THR 159 Cb 1.35 1.13 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 1nku h THR 159 CO 0.31 0.02 -0.09 0.74 -0.01 0.00 0.00 175.52 176.49 1nku h THR 160 N 0.00 1.29 -0.17 0.00 2.02 -1.92 -2.43 112.91 111.70 1nku h THR 160 Ca -0.00 -1.14 -0.09 0.00 0.77 0.00 0.00 66.41 65.94 1nku h THR 160 Cb 0.13 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1nku h THR 160 CO 0.00 0.36 -0.30 0.40 0.37 0.00 0.00 175.52 176.36 1nku h ILE 161 N 0.32 1.27 -0.68 3.11 2.04 -1.67 -1.74 117.51 120.15 1nku h ILE 161 Ca 0.07 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1nku h ILE 161 Cb 0.59 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1nku h ILE 161 CO 0.03 0.40 0.36 0.00 0.00 0.00 0.00 178.15 178.94 1nku h TYR 163 N 0.94 0.80 -0.72 0.00 3.20 -1.10 -2.68 116.97 117.41 1nku h TYR 163 Ca 0.24 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1nku h TYR 163 Cb 0.06 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1nku h TYR 163 CO -0.00 0.87 0.47 0.77 -1.64 0.00 0.00 178.16 178.63 1nku h SER 164 N 0.50 0.69 -0.58 -2.11 0.02 -0.86 -1.14 113.55 110.09 1nku h SER 164 Ca 0.09 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1nku h SER 164 Cb 0.61 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1nku h SER 164 CO 0.04 0.46 0.38 0.15 -1.14 0.00 0.00 176.83 176.72 1nku h PHE 165 N 0.79 0.73 -0.76 3.45 3.04 -0.67 -1.93 116.94 121.59 1nku h PHE 165 Ca 0.30 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.23 1nku h PHE 165 Cb 0.18 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 1nku h PHE 165 CO -0.00 0.46 0.30 0.52 -2.02 0.00 0.00 178.31 177.57 1nku h MET 166 N 0.78 1.12 -0.25 1.11 2.86 -1.02 0.61 114.93 120.15 1nku h MET 166 Ca 0.21 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1nku h MET 166 Cb -0.09 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 1nku h MET 166 CO -0.05 0.91 0.12 1.96 1.06 0.00 0.00 176.91 180.92 1nku h GLN 167 N 1.10 0.35 -0.04 1.72 4.20 -0.86 0.85 115.11 122.43 1nku h GLN 167 Ca 0.25 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 1nku h GLN 167 Cb 0.20 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1nku h GLN 167 CO -0.02 0.34 -0.58 0.00 -0.67 0.00 0.00 178.83 177.90 1nku h ALA 168 N 0.99 0.12 -0.49 3.87 0.00 -1.16 -1.18 119.26 121.40 1nku h ALA 168 Ca 0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1nku h ALA 168 Cb 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1nku h ALA 168 CO -0.01 0.37 -0.06 0.00 0.00 0.00 0.00 179.25 179.55 1nku n GLY 170 N -0.48 0.89 0.37 0.00 0.00 0.29 -0.98 105.19 105.29 1nku n GLY 170 Ca 0.02 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 0.59 -9.14 0.99 -0.00 -1.75 -3.32 115.31 102.68 1nku h LEU 171 Ca 0.00 0.02 -0.65 0.00 -0.00 0.00 0.00 57.88 57.26 1nku h LEU 171 Cb 0.00 -0.10 -0.17 0.00 -0.00 0.00 0.00 40.66 40.39 1nku h LEU 171 CO 0.00 0.33 -0.79 0.68 -0.00 0.00 0.00 178.44 178.67 1nku s VAL 172 N -5.61 2.66 -0.59 1.22 -7.23 -1.26 -2.71 120.40 106.88 1nku s VAL 172 Ca -0.09 -1.89 -0.20 0.00 -1.81 0.00 0.00 61.98 57.99 1nku s VAL 172 Cb 0.21 -2.29 0.08 0.00 0.56 0.00 0.00 36.38 34.94 1nku s VAL 172 CO 0.78 -0.11 0.76 0.21 -0.31 0.00 0.00 175.10 176.43 1nku s ASN 173 N -2.72 6.19 0.46 4.85 3.84 0.91 -4.90 114.94 123.58 1nku s ASN 173 Ca 0.22 -1.18 0.03 0.00 0.21 0.00 0.00 52.86 52.14 1nku s ASN 173 Cb -0.08 -2.33 -0.04 0.00 -0.55 0.00 0.00 41.25 38.25 1nku s ASN 173 CO 0.12 -1.16 0.02 -1.81 -2.79 0.00 0.00 177.10 171.47 1nku s ASP 174 N 3.43 3.88 0.00 -4.21 1.01 -1.26 -2.75 116.67 116.78 1nku s ASP 174 Ca 0.16 -1.55 0.00 0.00 0.71 0.00 0.00 52.55 51.87 1nku s ASP 174 Cb -0.21 0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.90 1nku s ASP 174 CO 0.09 -0.71 0.00 1.41 0.21 0.00 0.00 175.17 176.17 1nku n HIS 175 N -1.12 0.00 -1.10 4.23 8.25 -1.26 -4.94 115.22 119.28 1nku n HIS 175 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1nku n HIS 175 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 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 0.00 -4.24 -0.22 1.59 3.14 -1.26 -3.70 118.33 113.64 1nku n VAL 176 Ca 0.00 1.57 0.22 0.00 -2.96 0.00 0.00 64.34 63.17 1nku n VAL 176 Cb 0.00 -2.58 0.58 0.00 -1.06 0.00 0.00 33.84 30.78 1nku n VAL 176 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 1nku h VAL 177 N 1.82 0.64 -0.93 1.55 3.04 -1.81 0.14 116.25 120.70 1nku h VAL 177 Ca 0.00 -0.09 0.22 0.00 -1.01 0.00 0.00 66.70 65.81 1nku h VAL 177 Cb 0.00 0.34 -0.07 0.00 -2.01 0.00 0.00 31.29 29.55 1nku h VAL 177 CO 0.00 0.05 0.61 1.23 -1.01 0.00 0.00 177.57 178.46 1nku h GLY 178 N 0.28 0.91 -7.50 3.17 0.00 -1.85 -3.36 103.07 94.71 1nku h GLY 178 Ca 0.45 -0.19 -0.27 0.00 0.00 0.00 0.00 47.33 47.32 1nku h GLY 178 CO -0.13 -0.02 0.97 0.00 0.00 0.00 0.00 176.54 177.36 1nku s TYR 182 N -5.51 2.80 0.28 0.00 6.14 0.98 -5.02 117.35 117.02 1nku s TYR 182 Ca -0.09 0.86 -0.05 0.00 0.64 0.00 0.00 57.07 58.44 1nku s TYR 182 Cb 0.20 -3.61 0.07 0.00 0.42 0.00 0.00 41.96 39.03 1nku s TYR 182 CO 0.76 -2.23 0.36 -0.35 0.64 0.00 0.00 175.55 174.72 1nku n PRO 183 N 5.85 -0.57 -0.06 4.97 -0.04 -1.26 -4.58 135.00 139.30 1nku n PRO 183 Ca 0.13 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1nku n PRO 183 Cb 0.44 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 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 2.24 0.46 1.14 0.55 0.00 -1.26 -4.90 105.19 103.41 1nku n GLY 184 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1nku n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nku n ASN 185 N 0.00 3.31 -4.69 1.61 0.23 -1.26 -4.89 115.26 109.57 1nku n ASN 185 Ca 0.00 -2.20 -0.29 0.00 -0.53 0.00 0.00 54.58 51.56 1nku n ASN 185 Cb 0.00 -0.44 -0.08 0.00 -2.08 0.00 0.00 39.78 37.18 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1nku s LYS 186 N -1.58 2.52 0.00 -3.83 -0.14 -1.26 -5.27 119.74 110.17 1nku s LYS 186 Ca 0.37 -0.92 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 1nku s LYS 186 Cb 0.22 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 1nku s LYS 186 CO 0.20 0.51 0.02 -2.30 -0.76 0.00 0.00 175.35 173.02