#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 1.76 0.21 3.17 -1.05 -1.26 -5.08 118.70 116.45 1nku s GLU 2 Ca 0.00 -1.17 0.08 0.00 -0.15 0.00 0.00 54.97 53.73 1nku s GLU 2 Cb 0.00 -2.07 -0.05 0.00 -0.44 0.00 0.00 34.13 31.57 1nku s GLU 2 CO 0.00 0.49 -0.15 1.03 0.95 0.00 0.00 175.26 177.58 1nku s ARG 3 N -1.89 1.38 0.54 -4.83 0.52 -1.26 -3.24 118.95 110.16 1nku s ARG 3 Ca 0.16 -1.61 -0.18 0.00 -0.52 0.00 0.00 55.73 53.57 1nku s ARG 3 Cb -0.10 -1.21 -0.06 0.00 0.52 0.00 0.00 34.95 34.10 1nku s ARG 3 CO 0.07 0.21 1.07 0.00 0.02 0.00 0.00 175.30 176.67 1nku h GLY 5 N 1.02 0.00 -0.28 0.00 0.00 -1.93 -2.24 103.07 99.64 1nku h GLY 5 Ca -0.49 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.17 1nku h GLY 5 CO 0.58 0.00 0.80 1.49 0.00 0.00 0.00 176.54 179.40 1nku h TRP 6 N 0.00 0.14 -2.92 5.60 4.06 -1.90 -3.38 115.95 117.56 1nku h TRP 6 Ca 0.00 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.32 1nku h TRP 6 Cb 0.26 -0.04 -0.09 0.00 -1.00 0.00 0.00 29.16 28.29 1nku h TRP 6 CO 0.00 0.01 -0.49 0.08 -3.56 0.00 0.00 178.44 174.48 1nku s VAL 7 N -5.06 5.43 -0.28 1.49 1.01 -0.84 -5.07 120.40 117.08 1nku s VAL 7 Ca -0.06 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1nku s VAL 7 Cb 0.23 -3.41 0.16 0.00 0.00 0.00 0.00 36.38 33.36 1nku s VAL 7 CO 0.80 0.55 0.52 -0.94 0.00 0.00 0.00 175.10 176.03 1nku s SER 8 N -0.45 -0.78 -1.44 3.32 1.04 -1.26 -4.92 113.70 109.21 1nku s SER 8 Ca 0.12 0.75 -0.10 0.00 0.48 0.00 0.00 55.95 57.20 1nku s SER 8 Cb -0.12 1.80 0.05 0.00 0.10 0.00 0.00 66.02 67.85 1nku s SER 8 CO 0.02 -0.27 0.99 0.00 0.98 0.00 0.00 173.24 174.96 1nku n GLN 9 N 5.41 -6.09 -3.33 4.02 1.13 -1.26 -4.94 117.38 112.33 1nku n GLN 9 Ca -0.03 0.67 -0.25 0.00 -1.94 0.00 0.00 57.00 55.44 1nku n GLN 9 Cb 0.50 -5.56 -0.09 0.00 0.11 0.00 0.00 30.24 25.21 1nku n GLN 9 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1nku n ASP 10 N -2.93 -0.60 -0.32 1.08 8.00 -1.26 -4.99 116.55 115.54 1nku n ASP 10 Ca -0.03 -2.44 0.05 0.00 0.71 0.00 0.00 54.79 53.07 1nku n ASP 10 Cb 0.56 -0.42 0.24 0.00 -0.02 0.00 0.00 41.12 41.49 1nku n ASP 10 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1nku h PRO 11 N 5.39 0.99 -0.70 -0.24 0.11 -2.00 -1.66 132.00 133.89 1nku h PRO 11 Ca 0.23 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1nku h PRO 11 Cb 0.92 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 1nku h PRO 11 CO 0.36 0.65 0.21 1.25 -0.21 0.00 0.00 178.00 180.26 1nku h LEU 12 N 1.02 1.01 -0.63 2.35 5.85 -2.01 -2.52 115.31 120.38 1nku h LEU 12 Ca 0.42 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1nku h LEU 12 Cb 0.28 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1nku h LEU 12 CO -0.17 0.95 0.33 0.22 -0.34 0.00 0.00 178.44 179.43 1nku h TYR 13 N 1.04 0.88 -1.00 1.25 5.03 -1.73 -2.42 116.97 120.02 1nku h TYR 13 Ca 0.23 -0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.58 1nku h TYR 13 Cb 0.31 -0.28 -0.07 0.00 1.55 0.00 0.00 36.73 38.24 1nku h TYR 13 CO 0.02 0.65 0.65 0.82 -1.32 0.00 0.00 178.16 178.98 1nku h ILE 14 N 0.86 1.05 -0.46 1.81 2.04 -1.02 0.28 117.51 122.06 1nku h ILE 14 Ca 0.22 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1nku h ILE 14 Cb 0.07 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 35.94 1nku h ILE 14 CO -0.03 0.21 0.28 0.00 0.00 0.00 0.00 178.15 178.61 1nku h ALA 15 N 1.48 0.59 -0.38 1.87 0.00 -1.19 -0.52 119.26 121.10 1nku h ALA 15 Ca 0.45 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 1nku h ALA 15 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1nku h ALA 15 CO -0.19 -0.02 -0.09 -0.92 0.00 0.00 0.00 179.25 178.03 1nku h TYR 16 N 0.57 0.71 -0.10 0.00 3.20 -1.02 -1.14 116.97 119.20 1nku h TYR 16 Ca 0.18 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1nku h TYR 16 Cb -0.01 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1nku h TYR 16 CO -0.06 0.73 0.04 1.25 -1.64 0.00 0.00 178.16 178.48 1nku h HIS 17 N 0.61 0.08 -0.09 -3.82 2.76 0.68 -1.97 115.15 113.40 1nku h HIS 17 Ca 0.11 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.12 1nku h HIS 17 Cb 0.52 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1nku h HIS 17 CO 0.02 0.05 -0.67 -0.44 -1.30 0.00 0.00 177.93 175.59 1nku h ASP 18 N 0.10 0.43 0.00 3.26 3.32 -0.98 -3.35 116.42 119.19 1nku h ASP 18 Ca 0.04 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1nku h ASP 18 Cb 0.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1nku h ASP 18 CO -0.03 0.98 0.00 0.59 -1.72 0.00 0.00 179.24 179.06 1nku n ASN 19 N -3.86 0.00 -3.55 6.45 3.02 -0.45 -4.84 115.26 112.04 1nku n ASN 19 Ca -0.03 0.78 -0.14 0.00 -0.03 0.00 0.00 54.58 55.15 1nku n ASN 19 Cb 0.67 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 39.25 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 -2.13 0.20 -0.30 3.52 2.02 -0.76 -5.08 118.70 116.17 1nku s GLU 20 Ca 0.00 0.52 -0.10 0.00 0.02 0.00 0.00 54.97 55.41 1nku s GLU 20 Cb 0.00 -0.53 0.18 0.00 0.10 0.00 0.00 34.13 33.89 1nku s GLU 20 CO 0.00 -0.48 1.00 -0.46 0.02 0.00 0.00 175.26 175.34 1nku s TRP 21 N 2.41 -0.64 0.00 1.61 -0.00 -1.25 -4.65 118.94 116.42 1nku s TRP 21 Ca 0.05 0.51 0.00 0.00 -0.00 0.00 0.00 56.10 56.66 1nku s TRP 21 Cb -0.14 0.16 0.00 0.00 -0.00 0.00 0.00 33.47 33.49 1nku s TRP 21 CO -0.11 -0.36 0.00 0.41 -0.00 0.00 0.00 176.95 176.89 1nku n GLY 22 N 5.31 2.39 3.76 5.86 0.00 -1.19 -4.98 105.19 116.34 1nku n GLY 22 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.56 4.25 0.25 1.61 -7.23 -1.26 -4.45 120.40 111.01 1nku s VAL 23 Ca 0.00 1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 61.74 1nku s VAL 23 Cb 0.00 -4.23 -0.11 0.00 0.56 0.00 0.00 36.38 32.60 1nku s VAL 23 CO 0.00 0.51 1.64 -2.16 -0.31 0.00 0.00 175.10 174.77 1nku s PRO 24 N -1.12 4.13 -0.14 4.82 0.04 -1.21 -3.33 135.00 138.19 1nku s PRO 24 Ca 0.38 2.57 0.01 0.00 0.04 0.00 0.00 61.00 64.00 1nku s PRO 24 Cb -0.24 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1nku s PRO 24 CO 0.29 -0.67 -0.17 -1.21 0.04 0.00 0.00 177.00 175.28 1nku s GLU 25 N 0.22 3.22 -0.01 4.56 2.02 0.52 -4.94 118.70 124.29 1nku s GLU 25 Ca 0.68 -0.76 0.09 0.00 0.02 0.00 0.00 54.97 55.00 1nku s GLU 25 Cb -0.48 -2.55 0.26 0.00 0.10 0.00 0.00 34.13 31.46 1nku s GLU 25 CO 0.41 0.11 1.21 0.25 0.02 0.00 0.00 175.26 177.26 1nku n THR 26 N 3.79 1.08 -2.64 3.63 -2.24 -1.26 -4.96 114.28 111.67 1nku n THR 26 Ca -0.19 -1.06 -0.43 0.00 -2.27 0.00 0.00 64.05 60.10 1nku n THR 26 Cb 0.52 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 1nku n THR 26 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nku s ASP 27 N -1.07 7.00 0.35 3.42 2.15 -1.26 -4.90 116.67 122.36 1nku s ASP 27 Ca 0.20 1.20 0.06 0.00 0.43 0.00 0.00 52.55 54.44 1nku s ASP 27 Cb 0.11 -2.54 0.66 0.00 -0.30 0.00 0.00 42.92 40.85 1nku s ASP 27 CO 0.12 -0.79 1.90 0.77 -0.17 0.00 0.00 175.17 177.00 1nku h SER 28 N 7.82 0.43 -0.47 -0.34 4.64 -1.98 -2.73 113.55 120.92 1nku h SER 28 Ca -0.20 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1nku h SER 28 Cb 1.06 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1nku h SER 28 CO 1.01 0.51 0.19 0.11 -0.87 0.00 0.00 176.83 177.78 1nku h LYS 29 N 0.44 0.70 -0.92 4.77 1.57 -2.01 -2.73 116.57 118.40 1nku h LYS 29 Ca 0.10 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1nku h LYS 29 Cb 0.32 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1nku h LYS 29 CO 0.01 0.63 0.60 0.87 -0.57 0.00 0.00 179.45 181.00 1nku h LYS 30 N 0.62 1.22 -0.97 3.15 1.57 -1.90 -2.23 116.57 118.03 1nku h LYS 30 Ca 0.16 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1nku h LYS 30 Cb 0.19 -0.27 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 1nku h LYS 30 CO -0.01 0.81 0.63 -0.07 -0.57 0.00 0.00 179.45 180.24 1nku h LEU 31 N 1.25 1.05 0.52 2.94 -0.00 -1.34 0.28 115.31 120.01 1nku h LEU 31 Ca 0.34 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 58.18 1nku h LEU 31 Cb -0.13 -0.24 0.01 0.00 -0.00 0.00 0.00 40.66 40.29 1nku h LEU 31 CO -0.07 0.72 -0.25 -0.26 -0.00 0.00 0.00 178.44 178.57 1nku h PHE 32 N 1.22 -0.65 -0.05 1.13 0.04 -1.26 -2.92 116.94 114.44 1nku h PHE 32 Ca 0.39 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 61.00 1nku h PHE 32 Cb 0.01 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1nku h PHE 32 CO -0.01 -0.33 -0.60 0.93 -0.60 0.00 0.00 178.31 177.70 1nku h GLU 33 N -0.98 0.18 0.27 1.51 3.07 -1.44 -2.82 114.58 114.37 1nku h GLU 33 Ca -0.07 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1nku h GLU 33 Cb 0.62 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1nku h GLU 33 CO 0.12 0.73 -0.13 1.98 -1.40 0.00 0.00 179.01 180.30 1nku h MET 34 N 0.13 -0.35 -0.14 2.33 4.05 -0.50 -2.61 114.93 117.84 1nku h MET 34 Ca -0.01 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 1nku h MET 34 Cb 1.10 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 1nku h MET 34 CO 0.09 -0.19 -0.32 0.97 0.23 0.00 0.00 176.91 177.69 1nku h ILE 35 N -0.42 1.27 -0.23 1.77 2.10 -1.58 -2.88 117.51 117.55 1nku h ILE 35 Ca -0.04 -1.32 0.01 0.00 1.08 0.00 0.00 64.86 64.59 1nku h ILE 35 Cb 0.32 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.56 1nku h ILE 35 CO 0.06 0.40 0.14 0.00 -1.08 0.00 0.00 178.15 177.67 1nku h LEU 37 N 0.29 0.60 -1.61 0.00 -0.00 -1.41 -2.79 115.31 110.38 1nku h LEU 37 Ca 0.09 -0.21 0.04 0.00 -0.00 0.00 0.00 57.88 57.80 1nku h LEU 37 Cb -0.01 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 1nku h LEU 37 CO -0.03 0.83 0.32 -0.33 -0.00 0.00 0.00 178.44 179.23 1nku h GLU 38 N 0.52 0.48 -0.79 1.13 4.39 -1.25 -1.65 114.58 117.41 1nku h GLU 38 Ca 0.07 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1nku h GLU 38 Cb 0.70 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1nku h GLU 38 CO 0.05 0.32 0.49 0.78 -1.16 0.00 0.00 179.01 179.49 1nku h GLY 39 N 0.50 1.17 1.81 -3.84 0.00 -1.20 -1.21 103.07 100.30 1nku h GLY 39 Ca 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1nku h GLY 39 CO -0.05 0.28 -0.09 1.46 0.00 0.00 0.00 176.54 178.13 1nku h GLN 40 N 0.93 0.24 -1.19 4.80 4.20 -1.40 -2.80 115.11 119.89 1nku h GLN 40 Ca 0.33 -0.05 0.38 0.00 0.06 0.00 0.00 58.65 59.38 1nku h GLN 40 Cb 0.10 -0.04 -0.13 0.00 0.30 0.00 0.00 27.48 27.71 1nku h GLN 40 CO -0.15 0.35 0.74 -0.56 -0.67 0.00 0.00 178.83 178.54 1nku h GLN 41 N 0.23 0.17 -6.10 1.46 3.07 -1.10 -3.39 115.11 109.45 1nku h GLN 41 Ca 0.05 -0.01 -0.73 0.00 0.09 0.00 0.00 58.65 58.05 1nku h GLN 41 Cb 0.31 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1nku h GLN 41 CO 0.02 0.11 1.05 0.00 0.09 0.00 0.00 178.83 180.09 1nku n ALA 42 N -2.45 0.12 -0.06 0.06 0.00 -1.06 0.21 120.51 117.32 1nku n ALA 42 Ca 0.34 0.28 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1nku n ALA 42 Cb 1.24 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 4.95 0.83 0.00 0.00 0.00 -1.26 -5.02 105.19 104.68 1nku n GLY 43 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 4.32 0.56 -5.15 117.00 113.18 1nku n LEU 44 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.70 1nku n LEU 44 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1nku n LEU 44 CO 0.00 0.00 -0.45 -0.55 -1.22 0.00 0.00 177.39 175.17 1nku s SER 45 N -0.14 4.10 0.25 -1.43 0.15 -1.26 -4.98 113.70 110.39 1nku s SER 45 Ca 0.00 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.09 1nku s SER 45 Cb 0.00 -0.66 0.46 0.00 -1.71 0.00 0.00 66.02 64.11 1nku s SER 45 CO 0.00 0.16 1.75 -0.25 1.20 0.00 0.00 173.24 176.10 1nku h TRP 46 N 3.50 0.62 -0.14 3.44 2.91 -2.02 0.81 115.95 125.08 1nku h TRP 46 Ca -0.49 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.51 1nku h TRP 46 Cb 1.18 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.66 1nku h TRP 46 CO 0.62 0.13 -0.15 0.97 -1.03 0.00 0.00 178.44 178.97 1nku h ILE 47 N 0.53 1.18 -0.64 2.65 6.09 -2.02 -2.61 117.51 122.69 1nku h ILE 47 Ca 0.42 -0.83 -0.03 0.00 -1.37 0.00 0.00 64.86 63.05 1nku h ILE 47 Cb 0.59 1.25 -0.03 0.00 0.47 0.00 0.00 36.82 39.11 1nku h ILE 47 CO -0.37 0.25 0.28 0.74 -3.07 0.00 0.00 178.15 175.98 1nku h THR 48 N 0.21 1.22 -0.98 2.19 2.02 -1.23 -2.69 112.91 113.64 1nku h THR 48 Ca 0.04 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1nku h THR 48 Cb 0.40 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1nku h THR 48 CO 0.02 0.27 0.64 0.58 0.37 0.00 0.00 175.52 177.41 1nku h VAL 49 N 0.92 1.22 -0.20 3.16 2.07 -1.24 -1.91 116.25 120.26 1nku h VAL 49 Ca 0.22 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1nku h VAL 49 Cb 0.15 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1nku h VAL 49 CO -0.02 0.24 0.12 -0.07 0.02 0.00 0.00 177.57 177.85 1nku h LEU 50 N 1.29 0.25 -0.17 2.57 3.38 -1.54 1.36 115.31 122.44 1nku h LEU 50 Ca 0.37 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1nku h LEU 50 Cb -0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1nku h LEU 50 CO -0.10 0.24 0.09 0.11 0.09 0.00 0.00 178.44 178.87 1nku h LYS 51 N 0.23 0.18 0.00 1.13 1.57 -1.47 -1.67 116.57 116.55 1nku h LYS 51 Ca 0.07 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1nku h LYS 51 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1nku h LYS 51 CO -0.01 0.12 -0.40 0.87 -0.57 0.00 0.00 179.45 179.46 1nku h LYS 52 N 0.19 0.00 -0.71 3.15 1.79 -1.08 -2.92 116.57 116.99 1nku h LYS 52 Ca 0.07 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.68 1nku h LYS 52 Cb 0.01 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.56 1nku h LYS 52 CO -0.04 0.40 0.19 -0.09 -1.08 0.00 0.00 179.45 178.83 1nku h ARG 53 N 0.00 0.30 -0.14 3.15 9.65 0.28 1.29 114.38 128.91 1nku h ARG 53 Ca -0.00 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 1nku h ARG 53 Cb 0.76 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 1nku h ARG 53 CO 0.05 0.20 -0.40 1.49 2.80 0.00 0.00 179.97 184.11 1nku h GLU 54 N 0.31 0.52 -0.68 0.20 4.81 -1.41 -2.86 114.58 115.46 1nku h GLU 54 Ca 0.39 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1nku h GLU 54 Cb 0.63 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1nku h GLU 54 CO -0.46 0.99 0.26 -0.97 -0.73 0.00 0.00 179.01 178.11 1nku h ASN 55 N 0.13 0.95 -0.75 1.04 -0.73 -1.02 -2.54 115.58 112.66 1nku h ASN 55 Ca -0.01 -0.18 0.05 0.00 1.87 0.00 0.00 56.30 58.03 1nku h ASN 55 Cb 1.02 -0.25 -0.05 0.00 0.27 0.00 0.00 38.32 39.31 1nku h ASN 55 CO 0.09 0.87 0.46 0.22 -0.37 0.00 0.00 177.43 178.69 1nku h TYR 56 N 0.98 0.84 -0.71 0.67 5.03 0.16 -0.99 116.97 122.94 1nku h TYR 56 Ca 0.23 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.60 1nku h TYR 56 Cb 0.22 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 38.19 1nku h TYR 56 CO 0.02 0.44 0.47 -0.09 -1.32 0.00 0.00 178.16 177.67 1nku h ARG 57 N 0.85 0.82 -0.18 1.82 2.43 -1.22 -0.91 114.38 117.99 1nku h ARG 57 Ca 0.32 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.36 1nku h ARG 57 Cb 0.13 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1nku h ARG 57 CO -0.16 0.54 -0.27 0.00 -1.51 0.00 0.00 179.97 178.58 1nku h ALA 58 N 1.59 1.21 0.04 2.80 0.00 -0.97 -2.15 119.26 121.79 1nku h ALA 58 Ca 0.29 -0.33 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1nku h ALA 58 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1nku h ALA 58 CO -0.08 0.52 -1.79 0.00 0.00 0.00 0.00 179.25 177.89 1nku h PHE 60 N -0.54 0.25 -1.00 0.00 0.04 -1.30 -3.37 116.94 111.01 1nku h PHE 60 Ca -0.44 -0.18 0.18 0.00 2.80 0.00 0.00 57.97 60.33 1nku h PHE 60 Cb 1.65 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 39.69 1nku h PHE 60 CO 0.06 1.45 0.61 1.25 -0.60 0.00 0.00 178.31 181.09 1nku h HIS 61 N -0.61 1.08 -0.42 -0.55 2.76 -1.50 0.19 115.15 116.11 1nku h HIS 61 Ca -0.27 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 57.98 1nku h HIS 61 Cb 1.51 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 30.13 1nku h HIS 61 CO 0.14 0.26 0.28 -0.56 -1.30 0.00 0.00 177.93 176.75 1nku h GLN 62 N 0.79 0.34 -0.18 5.26 3.07 -1.72 0.03 115.11 122.71 1nku h GLN 62 Ca 0.57 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.29 1nku h GLN 62 Cb 0.85 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.33 1nku h GLN 62 CO -0.37 0.23 0.00 1.19 0.09 0.00 0.00 178.83 179.97 1nku n PHE 63 N -4.48 0.21 -1.30 0.06 3.72 0.57 -5.06 117.46 111.17 1nku n PHE 63 Ca 0.05 -0.10 0.15 0.00 -0.05 0.00 0.00 57.45 57.49 1nku n PHE 63 Cb 0.23 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.69 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nku n ASP 64 N 1.03 -6.61 0.22 4.37 9.92 -0.01 -3.53 116.55 121.94 1nku n ASP 64 Ca 0.17 1.19 0.08 0.00 -0.53 0.00 0.00 54.79 55.70 1nku n ASP 64 Cb 0.51 -4.42 0.47 0.00 -0.64 0.00 0.00 41.12 37.05 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nku h PRO 65 N -1.38 0.00 -0.12 -0.24 0.13 -1.88 -3.14 132.00 125.37 1nku h PRO 65 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1nku h PRO 65 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1nku h PRO 65 CO 0.06 0.27 0.05 0.28 -0.23 0.00 0.00 178.00 178.44 1nku h VAL 66 N 0.00 1.14 -0.27 1.56 2.07 -1.95 -2.37 116.25 116.42 1nku h VAL 66 Ca -0.00 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1nku h VAL 66 Cb 0.66 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1nku h VAL 66 CO 0.04 0.13 -0.14 0.11 0.02 0.00 0.00 177.57 177.73 1nku h LYS 67 N 0.05 0.46 -0.88 1.57 1.57 -1.60 -2.56 116.57 115.18 1nku h LYS 67 Ca 0.04 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1nku h LYS 67 Cb 0.16 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1nku h LYS 67 CO -0.00 0.60 0.56 0.28 -0.57 0.00 0.00 179.45 180.31 1nku h VAL 68 N 0.43 1.11 0.00 0.50 2.07 -1.42 0.98 116.25 119.92 1nku h VAL 68 Ca 0.08 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1nku h VAL 68 Cb 0.50 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1nku h VAL 68 CO 0.03 0.19 -0.41 0.00 0.02 0.00 0.00 177.57 177.41 1nku h ALA 69 N 1.38 1.16 -0.49 1.67 0.00 -1.06 -2.52 119.26 119.40 1nku h ALA 69 Ca 0.36 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nku h ALA 69 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nku h ALA 69 CO -0.14 0.51 0.02 0.00 0.00 0.00 0.00 179.25 179.64 1nku n ALA 70 N -2.38 3.68 -2.04 0.00 0.00 0.21 -4.83 120.51 115.14 1nku n ALA 70 Ca -0.01 -2.10 -0.32 0.00 0.00 0.00 0.00 53.44 51.01 1nku n ALA 70 Cb 0.47 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 1nku n ALA 70 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nku s MET 71 N -2.82 3.99 0.25 0.00 -1.94 0.32 -4.98 119.30 114.12 1nku s MET 71 Ca 0.51 0.76 0.03 0.00 -1.71 0.00 0.00 55.69 55.28 1nku s MET 71 Cb 0.40 -2.32 -0.03 0.00 2.01 0.00 0.00 34.83 34.88 1nku s MET 71 CO 0.13 0.00 0.40 -0.65 -0.01 0.00 0.00 175.02 174.90 1nku s GLN 72 N -3.40 3.46 0.44 2.03 -0.21 -1.26 -4.97 119.66 115.74 1nku s GLN 72 Ca 0.56 -0.62 0.14 0.00 0.02 0.00 0.00 55.36 55.46 1nku s GLN 72 Cb -0.10 -2.84 1.04 0.00 1.00 0.00 0.00 33.01 32.11 1nku s GLN 72 CO 0.22 0.37 2.00 0.93 -2.12 0.00 0.00 175.29 176.69 1nku h GLU 73 N 1.22 0.37 -0.56 2.91 5.08 -2.00 0.12 114.58 121.72 1nku h GLU 73 Ca -0.51 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1nku h GLU 73 Cb 1.22 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1nku h GLU 73 CO 0.62 0.25 0.33 0.93 -1.00 0.00 0.00 179.01 180.14 1nku h GLU 74 N 0.38 0.76 -0.80 2.33 5.08 -2.01 -0.90 114.58 119.42 1nku h GLU 74 Ca 0.25 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1nku h GLU 74 Cb 0.47 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1nku h GLU 74 CO -0.06 0.55 0.47 -0.44 -1.00 0.00 0.00 179.01 178.52 1nku h ASP 75 N 0.78 0.98 -1.00 1.42 3.32 -1.13 -1.73 116.42 119.05 1nku h ASP 75 Ca 0.20 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1nku h ASP 75 Cb -0.01 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.24 1nku h ASP 75 CO -0.04 0.77 0.66 0.58 -1.72 0.00 0.00 179.24 179.49 1nku h VAL 76 N 1.11 1.21 -0.87 -1.35 2.07 -1.05 -0.81 116.25 116.57 1nku h VAL 76 Ca 0.29 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1nku h VAL 76 Cb -0.02 -0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.50 1nku h VAL 76 CO -0.05 0.24 0.53 -0.33 0.02 0.00 0.00 177.57 177.98 1nku h GLU 77 N 1.31 1.17 -0.48 1.57 5.08 -1.08 -1.20 114.58 120.95 1nku h GLU 77 Ca 0.39 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1nku h GLU 77 Cb -0.07 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.92 1nku h GLU 77 CO -0.10 0.82 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.46 1nku h ARG 78 N 1.19 0.97 -0.24 2.33 2.43 -1.07 -2.95 114.38 117.03 1nku h ARG 78 Ca 0.31 -0.40 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 1nku h ARG 78 Cb -0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1nku h ARG 78 CO -0.06 1.07 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.33 1nku h LEU 79 N 0.82 0.36 -1.48 3.80 3.38 -0.65 -1.85 115.31 119.70 1nku h LEU 79 Ca 0.12 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1nku h LEU 79 Cb 0.74 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1nku h LEU 79 CO 0.06 0.48 0.48 0.58 0.09 0.00 0.00 178.44 180.13 1nku h VAL 80 N 0.37 0.89 -0.29 1.22 2.07 -1.05 0.64 116.25 120.09 1nku h VAL 80 Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1nku h VAL 80 Cb 0.36 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1nku h VAL 80 CO 0.02 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1nku n GLN 81 N -4.49 2.47 -2.82 1.57 6.02 -0.86 -4.50 117.38 114.77 1nku n GLN 81 Ca 0.13 -2.20 -0.42 0.00 -0.01 0.00 0.00 57.00 54.49 1nku n GLN 81 Cb 0.39 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 1nku n GLN 81 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1nku s ASP 82 N -1.63 6.90 0.00 1.08 2.15 0.21 -3.80 116.67 121.59 1nku s ASP 82 Ca 0.36 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.45 1nku s ASP 82 Cb 0.22 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1nku s ASP 82 CO 0.31 -0.59 0.00 0.00 -0.17 0.00 0.00 175.17 174.73 1nku n ALA 83 N 6.16 0.00 -2.20 3.66 0.00 -1.26 -3.07 120.51 123.79 1nku n ALA 83 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 1nku n ALA 83 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1nku n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nku n GLY 84 N -1.59 0.28 0.00 0.00 0.00 -1.25 -5.03 105.19 97.60 1nku n GLY 84 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.82 0.00 -2.55 -0.61 -5.35 -1.17 -4.84 119.36 101.02 1nku n ILE 85 Ca -0.04 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.03 1nku n ILE 85 Cb 0.53 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.39 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 3.93 -0.21 7.28 1.01 -1.26 -5.01 121.20 126.95 1nku s ILE 86 Ca 0.00 1.69 -0.13 0.00 0.00 0.00 0.00 60.65 62.21 1nku s ILE 86 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1nku s ILE 86 CO 0.00 0.30 0.29 0.00 0.00 0.00 0.00 174.94 175.53 1nku s ARG 87 N -0.45 4.16 0.00 2.79 1.70 -1.26 -4.90 118.95 120.99 1nku s ARG 87 Ca 0.48 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.75 1nku s ARG 87 Cb -0.29 -3.51 0.00 0.00 -0.57 0.00 0.00 34.95 30.58 1nku s ARG 87 CO 0.34 0.06 0.00 0.72 -1.08 0.00 0.00 175.30 175.34 1nku n HIS 88 N 4.21 0.00 -0.28 5.89 8.25 -1.26 -5.00 115.22 127.02 1nku n HIS 88 Ca -0.11 0.00 0.25 0.00 -0.26 0.00 0.00 57.72 57.59 1nku n HIS 88 Cb 0.52 0.00 0.58 0.00 1.12 0.00 0.00 29.99 32.20 1nku n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nku h ARG 89 N 0.00 0.27 -0.20 -0.41 3.08 -1.93 0.16 114.38 115.35 1nku h ARG 89 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1nku h ARG 89 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1nku h ARG 89 CO 0.00 0.18 0.12 0.78 -1.07 0.00 0.00 179.97 179.98 1nku h GLY 90 N 0.28 0.28 1.14 0.04 0.00 -1.99 0.20 103.07 103.02 1nku h GLY 90 Ca 0.54 -0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.58 1nku h GLY 90 CO -0.18 0.11 -0.49 0.50 0.00 0.00 0.00 176.54 176.47 1nku h LYS 91 N 0.25 0.90 -0.87 4.80 1.57 -1.16 -2.85 116.57 119.21 1nku h LYS 91 Ca 0.07 -0.54 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1nku h LYS 91 Cb 0.00 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1nku h LYS 91 CO -0.01 1.18 0.49 0.82 -0.57 0.00 0.00 179.45 181.36 1nku h ILE 92 N 0.70 1.25 -0.67 1.86 2.04 -0.87 -1.62 117.51 120.19 1nku h ILE 92 Ca 0.03 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1nku h ILE 92 Cb 1.10 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1nku h ILE 92 CO 0.11 0.27 0.44 1.56 0.00 0.00 0.00 178.15 180.54 1nku h GLN 93 N 1.20 0.88 -0.78 2.37 1.08 -0.50 -1.47 115.11 117.90 1nku h GLN 93 Ca 0.31 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.43 1nku h GLN 93 Cb 0.01 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.20 1nku h GLN 93 CO -0.05 0.58 0.37 0.00 -0.95 0.00 0.00 178.83 178.79 1nku h ALA 94 N 1.58 1.20 -0.79 3.87 0.00 -1.07 -2.26 119.26 121.79 1nku h ALA 94 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nku h ALA 94 Cb -0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 1nku h ALA 94 CO -0.05 0.61 0.48 0.82 0.00 0.00 0.00 179.25 181.11 1nku h ILE 95 N 1.10 1.22 -0.75 0.00 2.04 -0.97 -2.11 117.51 118.03 1nku h ILE 95 Ca 0.27 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1nku h ILE 95 Cb 0.11 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.24 1nku h ILE 95 CO -0.03 0.23 0.44 0.40 0.00 0.00 0.00 178.15 179.18 1nku h ILE 96 N 1.08 1.00 -0.87 -0.67 2.04 -1.15 -1.23 117.51 117.71 1nku h ILE 96 Ca 0.28 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1nku h ILE 96 Cb -0.05 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 1nku h ILE 96 CO -0.05 0.15 0.52 1.23 0.00 0.00 0.00 178.15 180.00 1nku h GLY 97 N 0.81 1.26 0.99 5.37 0.00 -1.16 -1.84 103.07 108.51 1nku h GLY 97 Ca 0.33 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 47.19 1nku h GLY 97 CO -0.18 0.50 0.55 3.43 0.00 0.00 0.00 176.54 180.85 1nku h ASN 98 N 1.20 0.87 -0.25 0.19 2.35 -0.82 0.23 115.58 119.35 1nku h ASN 98 Ca 0.31 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1nku h ASN 98 Cb -0.05 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1nku h ASN 98 CO -0.06 0.58 -0.09 0.00 -1.65 0.00 0.00 177.43 176.21 1nku h ALA 99 N 1.52 0.35 -0.62 -0.83 0.00 -1.05 0.19 119.26 118.83 1nku h ALA 99 Ca 0.35 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nku h ALA 99 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1nku h ALA 99 CO -0.11 0.19 0.37 -0.09 0.00 0.00 0.00 179.25 179.61 1nku h ARG 100 N 0.25 0.85 -0.20 0.00 2.43 -0.92 -0.62 114.38 116.17 1nku h ARG 100 Ca 0.06 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1nku h ARG 100 Cb 0.58 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1nku h ARG 100 CO 0.03 0.61 -0.37 0.00 -1.51 0.00 0.00 179.97 178.73 1nku h ALA 101 N 1.19 0.99 -0.43 2.80 0.00 -0.87 -2.73 119.26 120.21 1nku h ALA 101 Ca 0.22 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1nku h ALA 101 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1nku h ALA 101 CO -0.04 0.61 0.19 -0.92 0.00 0.00 0.00 179.25 179.08 1nku h TYR 102 N 0.37 0.63 -0.76 0.00 3.20 0.23 -2.22 116.97 118.42 1nku h TYR 102 Ca 0.04 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1nku h TYR 102 Cb 0.83 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1nku h TYR 102 CO 0.03 0.54 0.28 -0.07 -1.64 0.00 0.00 178.16 177.29 1nku h LEU 103 N 0.54 1.07 -1.08 2.82 3.38 -1.01 -2.27 115.31 118.75 1nku h LEU 103 Ca 0.14 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1nku h LEU 103 Cb 0.16 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1nku h LEU 103 CO -0.01 0.97 0.62 -0.61 0.09 0.00 0.00 178.44 179.49 1nku h GLN 104 N 1.11 1.22 -0.78 1.13 4.15 -1.21 -1.69 115.11 119.04 1nku h GLN 104 Ca 0.25 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 1nku h GLN 104 Cb 0.25 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1nku h GLN 104 CO -0.02 0.81 0.33 1.98 -1.93 0.00 0.00 178.83 180.00 1nku h MET 105 N 1.26 1.16 -0.37 1.69 4.05 -0.86 -2.44 114.93 119.42 1nku h MET 105 Ca 0.35 -0.20 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 1nku h MET 105 Cb -0.13 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.46 1nku h MET 105 CO -0.08 0.93 -0.03 1.49 0.23 0.00 0.00 176.91 179.45 1nku h GLU 106 N 1.13 0.61 -0.80 0.39 4.81 -0.88 -2.11 114.58 117.72 1nku h GLU 106 Ca 0.26 -0.15 0.18 0.00 -0.13 0.00 0.00 59.36 59.52 1nku h GLU 106 Cb 0.19 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 1nku h GLU 106 CO -0.02 0.65 0.54 1.96 -0.73 0.00 0.00 179.01 181.41 1nku h GLN 107 N 0.57 0.30 -0.03 1.92 4.20 -0.86 1.12 115.11 122.32 1nku h GLN 107 Ca 0.11 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1nku h GLN 107 Cb 0.41 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1nku h GLN 107 CO 0.02 0.20 0.00 0.09 -0.67 0.00 0.00 178.83 178.47 1nku n ASN 108 N -4.45 1.66 -3.63 1.46 3.02 -0.81 -4.93 115.26 107.58 1nku n ASN 108 Ca 0.16 -1.56 -0.23 0.00 -0.03 0.00 0.00 54.58 52.92 1nku n ASN 108 Cb 0.66 -0.01 0.07 0.00 -0.61 0.00 0.00 39.78 39.88 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nku n GLY 109 N 1.19 -0.47 2.83 7.41 0.00 0.39 -4.95 105.19 111.58 1nku n GLY 109 Ca 0.18 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.12 1.90 0.31 1.61 2.02 -1.14 -5.04 118.70 112.23 1nku s GLU 110 Ca 0.41 -2.69 -0.29 0.00 0.02 0.00 0.00 54.97 52.42 1nku s GLU 110 Cb -0.19 -2.96 -0.12 0.00 0.10 0.00 0.00 34.13 30.96 1nku s GLU 110 CO 0.76 -1.21 1.35 -2.30 0.02 0.00 0.00 175.26 173.88 1nku n PRO 111 N 2.78 2.16 -0.30 0.39 -0.02 -1.26 -4.76 135.00 133.99 1nku n PRO 111 Ca 0.13 0.76 -0.05 0.00 -2.02 0.00 0.00 63.50 62.32 1nku n PRO 111 Cb 0.35 -2.38 0.07 0.00 -0.02 0.00 0.00 33.50 31.52 1nku n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1nku h PHE 112 N 3.16 1.17 -0.37 6.00 -1.00 -1.97 -0.74 116.94 123.19 1nku h PHE 112 Ca -0.46 -0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.29 1nku h PHE 112 Cb 1.28 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 40.44 1nku h PHE 112 CO 0.53 0.85 0.18 0.00 -1.61 0.00 0.00 178.31 178.25 1nku h ALA 113 N 1.21 0.45 -0.45 2.45 0.00 -1.90 0.53 119.26 121.55 1nku h ALA 113 Ca 0.28 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1nku h ALA 113 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1nku h ALA 113 CO -0.04 -0.19 -0.13 -0.44 0.00 0.00 0.00 179.25 178.45 1nku h ASP 114 N 0.36 0.83 0.06 0.00 3.32 -1.85 -1.53 116.42 117.62 1nku h ASP 114 Ca 0.16 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1nku h ASP 114 Cb 0.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1nku h ASP 114 CO -0.11 0.97 -0.03 0.15 -1.72 0.00 0.00 179.24 178.49 1nku h PHE 115 N 0.75 -0.08 -0.64 4.55 3.57 -0.31 -2.64 116.94 122.15 1nku h PHE 115 Ca 0.12 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1nku h PHE 115 Cb 0.63 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1nku h PHE 115 CO 0.03 0.35 0.21 -0.39 -2.23 0.00 0.00 178.31 176.28 1nku h VAL 116 N -0.53 1.25 -0.93 1.41 -1.51 0.02 -2.39 116.25 113.58 1nku h VAL 116 Ca -0.01 -0.82 0.06 0.00 -1.23 0.00 0.00 66.70 64.70 1nku h VAL 116 Cb 0.46 0.58 -0.06 0.00 -2.13 0.00 0.00 31.29 30.14 1nku h VAL 116 CO 0.01 0.32 0.60 -0.50 -1.23 0.00 0.00 177.57 176.78 1nku h TRP 117 N 0.91 1.09 -0.01 5.19 -0.00 -1.31 -0.36 115.95 121.46 1nku h TRP 117 Ca 0.21 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 59.07 1nku h TRP 117 Cb 0.27 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 29.07 1nku h TRP 117 CO 0.02 0.58 -0.28 0.66 -0.00 0.00 0.00 178.44 179.43 1nku h SER 118 N 1.09 0.01 -0.58 -3.49 4.64 -1.05 1.62 113.55 115.79 1nku h SER 118 Ca 0.39 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 1nku h SER 118 Cb 0.15 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1nku h SER 118 CO -0.14 0.29 0.21 -0.26 -0.87 0.00 0.00 176.83 176.06 1nku h PHE 119 N 0.01 0.94 -0.51 4.77 -1.00 -0.73 -1.91 116.94 118.51 1nku h PHE 119 Ca -0.00 -0.07 -0.13 0.00 2.81 0.00 0.00 57.97 60.58 1nku h PHE 119 Cb 0.50 -0.28 -0.08 0.00 3.61 0.00 0.00 35.95 39.70 1nku h PHE 119 CO 0.00 0.74 0.16 1.55 -1.61 0.00 0.00 178.31 179.15 1nku n VAL 120 N -4.29 2.15 -1.26 -0.55 3.14 -1.03 -4.83 118.33 111.65 1nku n VAL 120 Ca 0.05 -1.10 -0.05 0.00 -2.96 0.00 0.00 64.34 60.28 1nku n VAL 120 Cb 0.19 -0.45 -0.02 0.00 -1.06 0.00 0.00 33.84 32.50 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1nku n ASN 121 N 0.05 -3.42 -2.22 6.55 3.02 -0.72 -3.16 115.26 115.36 1nku n ASN 121 Ca 0.27 0.11 -0.20 0.00 -0.03 0.00 0.00 54.58 54.73 1nku n ASN 121 Cb 1.06 -1.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 1nku n ASN 121 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1nku n HIS 122 N -3.00 -0.82 -4.07 3.10 -0.00 0.55 -4.93 115.22 106.05 1nku n HIS 122 Ca -0.05 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.01 1nku n HIS 122 Cb 0.21 -3.77 -0.11 0.00 -0.12 0.00 0.00 29.99 26.20 1nku n HIS 122 CO 0.00 0.00 0.00 1.14 0.46 0.00 0.00 176.34 177.94 1nku s GLN 123 N -4.75 0.55 0.45 1.57 1.03 -1.19 -4.99 119.66 112.33 1nku s GLN 123 Ca 0.00 -0.86 -0.22 0.00 0.04 0.00 0.00 55.36 54.32 1nku s GLN 123 Cb 0.00 -0.17 -0.09 0.00 0.03 0.00 0.00 33.01 32.78 1nku s GLN 123 CO 0.00 0.01 1.05 -1.25 -2.54 0.00 0.00 175.29 172.56 1nku s PRO 124 N -2.09 3.95 0.09 9.60 0.04 -1.26 -4.87 135.00 140.46 1nku s PRO 124 Ca -0.06 1.44 0.03 0.00 0.04 0.00 0.00 61.00 62.44 1nku s PRO 124 Cb -0.06 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1nku s PRO 124 CO -0.01 -0.31 0.11 -0.65 0.04 0.00 0.00 177.00 176.17 1nku s GLN 125 N -2.90 2.96 0.03 4.56 -0.21 0.33 -4.99 119.66 119.44 1nku s GLN 125 Ca 0.63 -0.68 0.06 0.00 0.02 0.00 0.00 55.36 55.39 1nku s GLN 125 Cb -0.19 -2.76 -0.02 0.00 1.00 0.00 0.00 33.01 31.04 1nku s GLN 125 CO 0.24 0.56 -0.18 1.41 -2.12 0.00 0.00 175.29 175.19 1nku s MET 126 N -2.53 1.27 0.27 2.91 1.75 -1.26 -1.02 119.30 120.69 1nku s MET 126 Ca 0.30 -0.80 0.09 0.00 -1.25 0.00 0.00 55.69 54.03 1nku s MET 126 Cb -0.12 -1.31 -0.04 0.00 2.84 0.00 0.00 34.83 36.20 1nku s MET 126 CO 0.23 0.34 0.05 -0.08 -0.65 0.00 0.00 175.02 174.91 1nku s THR 127 N -0.70 3.56 -0.37 10.11 -1.32 -1.07 -4.84 115.64 121.01 1nku s THR 127 Ca 0.06 -1.80 0.13 0.00 -1.21 0.00 0.00 61.69 58.86 1nku s THR 127 Cb -0.08 -2.96 0.38 0.00 -1.51 0.00 0.00 72.50 68.33 1nku s THR 127 CO 0.01 -0.35 0.80 0.00 -2.21 0.00 0.00 174.62 172.87 1nku n GLN 128 N -0.97 1.18 -4.25 7.08 6.02 -1.26 -4.92 117.38 120.26 1nku n GLN 128 Ca -0.06 -3.45 -0.25 0.00 -0.01 0.00 0.00 57.00 53.23 1nku n GLN 128 Cb 0.59 -1.64 -0.08 0.00 1.02 0.00 0.00 30.24 30.14 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nku s ALA 129 N -2.68 3.17 -0.24 -1.58 0.00 -1.24 -5.04 121.76 114.15 1nku s ALA 129 Ca 0.38 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1nku s ALA 129 Cb 0.37 -0.87 -0.18 0.00 0.00 0.00 0.00 23.12 22.44 1nku s ALA 129 CO -0.06 0.37 -0.17 2.41 0.00 0.00 0.00 175.76 178.32 1nku n THR 130 N -0.50 1.52 -4.18 0.00 -1.04 -1.26 -4.14 114.28 104.68 1nku n THR 130 Ca -0.08 -0.58 -0.28 0.00 -2.04 0.00 0.00 64.05 61.07 1nku n THR 130 Cb 0.57 -1.46 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 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 -2.52 3.78 0.46 12.58 2.01 -1.26 -4.90 115.64 125.78 1nku s THR 131 Ca -0.34 -1.26 0.11 0.00 0.31 0.00 0.00 61.69 60.51 1nku s THR 131 Cb 0.09 -2.85 0.27 0.00 0.01 0.00 0.00 72.50 70.02 1nku s THR 131 CO 0.62 -0.01 2.10 -0.07 -0.69 0.00 0.00 174.62 176.57 1nku h LEU 132 N 3.06 0.28 -1.14 4.42 3.38 -1.93 -1.51 115.31 121.86 1nku h LEU 132 Ca -0.48 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.55 1nku h LEU 132 Cb 1.19 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1nku h LEU 132 CO 0.58 0.20 0.59 0.28 0.09 0.00 0.00 178.44 180.18 1nku h SER 133 N 0.33 0.92 0.27 -0.43 0.02 -2.01 -0.00 113.55 112.64 1nku h SER 133 Ca 0.09 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1nku h SER 133 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1nku h SER 133 CO -0.02 0.59 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.64 1nku h GLU 134 N 1.05 0.04 -6.38 3.45 5.08 -1.68 -3.42 114.58 112.73 1nku h GLU 134 Ca 0.39 -0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 58.19 1nku h GLU 134 Cb 0.17 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1nku h GLU 134 CO -0.14 0.34 0.86 0.42 -1.00 0.00 0.00 179.01 179.49 1nku s ILE 135 N -4.37 3.64 0.15 3.13 1.01 -0.02 -4.98 121.20 119.77 1nku s ILE 135 Ca -0.03 1.02 -0.30 0.00 0.00 0.00 0.00 60.65 61.34 1nku s ILE 135 Cb 0.15 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.89 1nku s ILE 135 CO 0.72 -0.01 1.11 -2.16 0.00 0.00 0.00 174.94 174.61 1nku s PRO 136 N 2.47 4.56 0.00 2.79 0.04 -1.26 -4.93 135.00 138.68 1nku s PRO 136 Ca 0.65 1.71 0.27 0.00 0.04 0.00 0.00 61.00 63.67 1nku s PRO 136 Cb -0.32 -3.30 0.81 0.00 0.04 0.00 0.00 34.50 31.72 1nku s PRO 136 CO 0.27 0.01 1.60 -2.37 0.04 0.00 0.00 177.00 176.55 1nku n THR 137 N 2.71 0.00 -3.50 1.26 5.66 -1.26 -4.52 114.28 114.63 1nku n THR 137 Ca 0.04 -0.08 -0.29 0.00 -3.05 0.00 0.00 64.05 60.68 1nku n THR 137 Cb 0.46 0.23 -0.12 0.00 -1.55 0.00 0.00 70.33 69.35 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 -2.64 2.77 0.63 1.09 0.01 -1.26 -4.74 113.70 109.55 1nku s SER 138 Ca 0.21 -2.51 -0.07 0.00 1.31 0.00 0.00 55.95 54.89 1nku s SER 138 Cb 0.19 -0.54 0.02 0.00 0.21 0.00 0.00 66.02 65.89 1nku s SER 138 CO 0.56 -0.26 0.95 0.42 0.41 0.00 0.00 173.24 175.31 1nku s THR 139 N 0.65 3.44 0.33 1.44 -4.23 -1.26 -4.84 115.64 111.16 1nku s THR 139 Ca 0.22 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.86 1nku s THR 139 Cb -0.16 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.60 1nku s THR 139 CO -0.05 -0.43 1.78 -0.65 -0.54 0.00 0.00 174.62 174.73 1nku h PRO 140 N -0.32 0.66 -0.35 3.99 0.11 -2.00 -0.98 132.00 133.11 1nku h PRO 140 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1nku h PRO 140 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1nku h PRO 140 CO 0.61 0.44 -0.11 0.00 -0.21 0.00 0.00 178.00 178.72 1nku h ALA 141 N 1.65 0.49 -0.72 -0.75 0.00 -1.93 -2.20 119.26 115.80 1nku h ALA 141 Ca 0.57 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1nku h ALA 141 Cb 1.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1nku h ALA 141 CO -0.36 0.37 0.40 1.03 0.00 0.00 0.00 179.25 180.69 1nku h SER 142 N 0.49 0.90 -0.22 0.00 0.87 -1.57 0.99 113.55 115.01 1nku h SER 142 Ca 0.09 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1nku h SER 142 Cb 0.63 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1nku h SER 142 CO 0.04 0.74 0.10 -0.78 -0.53 0.00 0.00 176.83 176.40 1nku h ASP 143 N 0.99 0.29 -0.13 6.23 3.58 -1.22 0.33 116.42 126.48 1nku h ASP 143 Ca 0.25 -0.13 -0.23 0.00 0.42 0.00 0.00 57.03 57.35 1nku h ASP 143 Cb 0.03 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.02 1nku h ASP 143 CO -0.04 0.33 -0.82 0.00 -2.88 0.00 0.00 179.24 175.84 1nku h ALA 144 N 0.96 0.29 -0.50 -0.78 0.00 -1.12 -2.86 119.26 115.24 1nku h ALA 144 Ca 0.07 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1nku h ALA 144 Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1nku h ALA 144 CO -0.01 0.69 0.10 1.25 0.00 0.00 0.00 179.25 181.27 1nku h LEU 145 N 0.53 0.78 -0.96 0.00 6.46 0.12 -2.33 115.31 119.90 1nku h LEU 145 Ca -0.06 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.42 1nku h LEU 145 Cb 1.45 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 41.14 1nku h LEU 145 CO 0.17 0.83 0.38 0.28 -0.62 0.00 0.00 178.44 179.48 1nku h SER 146 N 0.70 1.02 -0.72 1.25 0.02 -0.38 -2.13 113.55 113.31 1nku h SER 146 Ca 0.15 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1nku h SER 146 Cb 0.37 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1nku h SER 146 CO 0.01 0.85 0.31 0.50 -1.14 0.00 0.00 176.83 177.35 1nku h LYS 147 N 1.12 1.08 -0.20 3.45 1.63 -1.25 -0.75 116.57 121.64 1nku h LYS 147 Ca 0.27 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1nku h LYS 147 Cb 0.10 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 1nku h LYS 147 CO -0.04 0.87 0.06 0.00 -3.45 0.00 0.00 179.45 176.89 1nku h ALA 148 N 1.27 0.27 -0.61 5.00 0.00 -0.86 -1.58 119.26 122.75 1nku h ALA 148 Ca 0.25 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1nku h ALA 148 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1nku h ALA 148 CO -0.02 -0.10 0.07 -0.07 0.00 0.00 0.00 179.25 179.13 1nku h LEU 149 N 0.15 0.97 -1.31 0.00 3.38 -1.23 -2.36 115.31 114.91 1nku h LEU 149 Ca 0.06 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1nku h LEU 149 Cb 0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1nku h LEU 149 CO -0.00 0.98 0.45 0.50 0.09 0.00 0.00 178.44 180.46 1nku h LYS 150 N 0.95 0.91 -0.76 1.13 3.64 -0.92 -1.34 116.57 120.18 1nku h LYS 150 Ca 0.19 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1nku h LYS 150 Cb 0.45 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1nku h LYS 150 CO 0.02 0.61 0.50 -0.22 -2.27 0.00 0.00 179.45 178.08 1nku h LYS 151 N 0.94 1.00 0.00 1.90 3.64 -0.74 0.67 116.57 123.98 1nku h LYS 151 Ca 0.25 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1nku h LYS 151 Cb -0.10 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.50 1nku h LYS 151 CO -0.05 0.67 -0.02 0.00 -2.27 0.00 0.00 179.45 177.78 1nku h ARG 152 N 1.03 0.00 0.00 1.90 2.47 -1.13 -3.45 114.38 115.20 1nku h ARG 152 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1nku h ARG 152 Cb -0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1nku h ARG 152 CO -0.06 0.02 0.00 0.41 0.56 0.00 0.00 179.97 180.90 1nku n GLY 153 N -0.65 1.16 3.75 0.04 0.00 0.23 -4.94 105.19 104.76 1nku n GLY 153 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 3.50 0.25 1.61 0.40 -1.18 -4.98 117.98 115.58 1nku s PHE 154 Ca 0.00 1.55 0.01 0.00 -0.60 0.00 0.00 56.93 57.89 1nku s PHE 154 Cb 0.00 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 1nku s PHE 154 CO 0.00 -0.87 0.42 0.15 0.70 0.00 0.00 175.22 175.62 1nku s LYS 155 N -0.72 3.49 -1.27 0.44 -0.14 -1.26 -4.40 119.74 115.88 1nku s LYS 155 Ca 0.49 -0.44 -0.01 0.00 -1.36 0.00 0.00 55.97 54.65 1nku s LYS 155 Cb -0.32 -2.81 0.01 0.00 -1.68 0.00 0.00 37.83 33.03 1nku s LYS 155 CO 0.38 0.35 0.89 1.19 -0.76 0.00 0.00 175.35 177.40 1nku n PHE 156 N -1.11 -2.13 -1.29 3.18 3.72 -1.26 -4.89 117.46 113.68 1nku n PHE 156 Ca -0.06 0.90 0.06 0.00 -0.05 0.00 0.00 57.45 58.31 1nku n PHE 156 Cb 0.55 -4.74 0.19 0.00 -0.94 0.00 0.00 39.48 34.54 1nku n PHE 156 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1nku n VAL 157 N -4.28 2.15 -0.70 -4.37 3.14 -1.26 -4.67 118.33 108.34 1nku n VAL 157 Ca -0.26 -2.60 -0.33 0.00 -2.96 0.00 0.00 64.34 58.20 1nku n VAL 157 Cb 0.66 -0.26 0.16 0.00 -1.06 0.00 0.00 33.84 33.34 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 -1.16 -2.45 0.37 7.55 0.00 -1.26 -4.36 105.19 103.87 1nku n GLY 158 Ca 0.20 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1nku n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku h THR 159 N -1.96 0.87 -0.52 2.61 1.03 -1.95 -0.88 112.91 112.11 1nku h THR 159 Ca -0.52 -0.19 -0.00 0.00 -0.01 0.00 0.00 66.41 65.69 1nku h THR 159 Cb 1.35 0.27 -0.03 0.00 -1.07 0.00 0.00 68.15 68.67 1nku h THR 159 CO 0.37 0.10 0.32 0.74 -0.01 0.00 0.00 175.52 177.04 1nku h THR 160 N 0.56 1.16 -0.38 0.00 2.02 -1.86 0.56 112.91 114.96 1nku h THR 160 Ca 0.36 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1nku h THR 160 Cb 0.64 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1nku h THR 160 CO -0.13 0.16 -0.13 0.40 0.37 0.00 0.00 175.52 176.19 1nku h ILE 161 N 0.70 1.28 -0.52 3.11 5.03 -1.49 -1.63 117.51 124.00 1nku h ILE 161 Ca 0.19 -1.23 -0.05 0.00 -0.12 0.00 0.00 64.86 63.64 1nku h ILE 161 Cb -0.01 1.28 -0.02 0.00 -3.03 0.00 0.00 36.82 35.04 1nku h ILE 161 CO -0.04 0.41 0.12 0.00 -0.68 0.00 0.00 178.15 177.97 1nku h TYR 163 N 0.72 0.92 -0.28 0.00 3.20 0.26 -2.09 116.97 119.70 1nku h TYR 163 Ca 0.16 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.04 1nku h TYR 163 Cb 0.34 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1nku h TYR 163 CO 0.02 0.62 0.17 1.03 -1.64 0.00 0.00 178.16 178.36 1nku h SER 164 N 0.96 0.28 -0.86 -2.11 0.87 -0.77 -1.35 113.55 110.57 1nku h SER 164 Ca 0.25 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1nku h SER 164 Cb -0.02 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1nku h SER 164 CO -0.05 0.20 0.47 2.19 -0.53 0.00 0.00 176.83 179.11 1nku h PHE 165 N 0.35 1.20 -0.87 2.24 -5.15 -1.11 -1.51 116.94 112.08 1nku h PHE 165 Ca 0.11 -0.03 0.03 0.00 -0.20 0.00 0.00 57.97 57.87 1nku h PHE 165 Cb -0.02 -0.38 -0.05 0.00 0.22 0.00 0.00 35.95 35.72 1nku h PHE 165 CO -0.07 0.83 0.57 0.52 -2.00 0.00 0.00 178.31 178.17 1nku h MET 166 N 1.22 1.08 -0.39 6.09 2.86 -0.73 0.20 114.93 125.25 1nku h MET 166 Ca 0.30 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1nku h MET 166 Cb 0.04 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1nku h MET 166 CO -0.05 0.71 0.07 0.37 1.06 0.00 0.00 176.91 179.07 1nku h GLN 167 N 1.11 0.65 -0.12 1.72 4.15 -0.27 0.22 115.11 122.56 1nku h GLN 167 Ca 0.34 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 1nku h GLN 167 Cb -0.02 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1nku h GLN 167 CO -0.09 0.70 -0.19 0.00 -1.93 0.00 0.00 178.83 177.31 1nku h ALA 168 N 0.92 0.19 -0.14 3.38 0.00 -0.75 -3.09 119.26 119.77 1nku h ALA 168 Ca 0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1nku h ALA 168 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1nku h ALA 168 CO 0.01 0.12 -0.13 0.00 0.00 0.00 0.00 179.25 179.25 1nku n GLY 170 N -0.90 0.74 0.44 0.00 0.00 0.04 -0.36 105.19 105.15 1nku n GLY 170 Ca -0.01 -0.13 0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 0.02 -8.74 0.99 4.07 -1.76 -3.33 115.31 106.56 1nku h LEU 171 Ca 0.00 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.35 1nku h LEU 171 Cb 0.00 -0.00 -0.23 0.00 1.08 0.00 0.00 40.66 41.51 1nku h LEU 171 CO 0.00 0.01 -0.85 0.68 -1.08 0.00 0.00 178.44 177.21 1nku s VAL 172 N -5.02 1.91 -0.49 1.22 -7.23 -1.26 0.12 120.40 109.66 1nku s VAL 172 Ca -0.05 -1.57 -0.16 0.00 -1.81 0.00 0.00 61.98 58.39 1nku s VAL 172 Cb 0.21 -1.70 0.08 0.00 0.56 0.00 0.00 36.38 35.52 1nku s VAL 172 CO 0.76 0.04 0.46 0.21 -0.31 0.00 0.00 175.10 176.26 1nku s ASN 173 N -1.84 6.17 -0.49 4.85 3.84 -0.19 -4.80 114.94 122.47 1nku s ASN 173 Ca 0.09 -1.30 0.03 0.00 0.21 0.00 0.00 52.86 51.90 1nku s ASN 173 Cb -0.10 -2.21 0.13 0.00 -0.55 0.00 0.00 41.25 38.52 1nku s ASN 173 CO 0.04 -0.73 0.23 1.51 -2.79 0.00 0.00 177.10 175.36 1nku s ASP 174 N 2.75 4.52 0.19 -4.21 1.47 -1.26 -2.61 116.67 117.52 1nku s ASP 174 Ca 0.06 -2.79 0.00 0.00 1.18 0.00 0.00 52.55 51.00 1nku s ASP 174 Cb -0.24 -1.66 0.00 0.00 -0.34 0.00 0.00 42.92 40.68 1nku s ASP 174 CO 0.07 -0.28 0.00 1.41 0.68 0.00 0.00 175.17 177.05 1nku n HIS 175 N 3.42 -1.51 0.00 2.11 8.25 -1.26 -5.01 115.22 121.22 1nku n HIS 175 Ca 0.05 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1nku n HIS 175 Cb 0.35 0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1nku n HIS 175 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1nku n VAL 176 N -3.27 0.00 -0.38 1.59 0.24 -1.26 -4.44 118.33 110.81 1nku n VAL 176 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nku n VAL 176 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1nku n VAL 176 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1nku n VAL 177 N 0.00 0.00 -2.79 3.34 0.31 -1.26 -3.62 118.33 114.31 1nku n VAL 177 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1nku n VAL 177 Cb 0.00 0.21 0.07 0.00 -0.91 0.00 0.00 33.84 33.21 1nku n VAL 177 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nku n GLY 178 N 0.00 1.09 3.67 2.92 0.00 -1.12 -3.85 105.19 107.91 1nku n GLY 178 Ca 0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 0.08 2.83 0.00 0.00 5.04 -1.07 -5.00 117.35 119.23 1nku s TYR 182 Ca 0.14 -2.97 0.00 0.00 -2.44 0.00 0.00 57.07 51.81 1nku s TYR 182 Cb 0.22 -2.42 0.00 0.00 0.35 0.00 0.00 41.96 40.11 1nku s TYR 182 CO -0.10 -0.70 0.00 -0.35 -1.34 0.00 0.00 175.55 173.05 1nku n PRO 183 N 2.89 0.00 -0.82 4.97 -0.04 -1.25 -2.80 135.00 137.96 1nku n PRO 183 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1nku n PRO 183 Cb 0.34 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 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 2.61 0.81 0.42 0.55 0.00 -1.26 -4.68 105.19 103.63 1nku n GLY 184 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1nku n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nku n ASN 185 N 0.00 -0.18 -3.55 1.61 4.13 -1.26 -5.05 115.26 110.95 1nku n ASN 185 Ca 0.00 -0.58 -0.27 0.00 1.68 0.00 0.00 54.58 55.41 1nku n ASN 185 Cb 0.00 0.05 -0.11 0.00 -1.54 0.00 0.00 39.78 38.19 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1nku s LYS 186 N 0.00 1.39 0.00 3.52 1.02 -1.26 -5.25 119.74 119.16 1nku s LYS 186 Ca 0.00 -2.49 0.31 0.00 0.02 0.00 0.00 55.97 53.81 1nku s LYS 186 Cb 0.00 -2.05 1.72 0.00 -0.52 0.00 0.00 37.83 36.98 1nku s LYS 186 CO 0.00 -1.35 2.12 -0.35 -0.92 0.00 0.00 175.35 174.85