#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 0.81 0.15 3.17 0.41 -0.56 -5.06 118.70 117.62 1nku s GLU 2 Ca 0.00 -1.24 0.09 0.00 -0.41 0.00 0.00 54.97 53.41 1nku s GLU 2 Cb 0.00 0.26 -0.04 0.00 -1.78 0.00 0.00 34.13 32.57 1nku s GLU 2 CO 0.00 -0.22 -0.20 0.50 -0.49 0.00 0.00 175.26 174.85 1nku s ARG 3 N -3.95 1.28 0.10 1.61 3.52 -1.25 -3.55 118.95 116.70 1nku s ARG 3 Ca 0.13 -1.35 -0.36 0.00 -0.13 0.00 0.00 55.73 54.01 1nku s ARG 3 Cb 0.07 -1.46 -0.17 0.00 -1.56 0.00 0.00 34.95 31.83 1nku s ARG 3 CO -0.05 0.32 1.32 0.00 -0.81 0.00 0.00 175.30 176.07 1nku h GLY 5 N 4.41 0.06 0.37 0.00 0.00 -1.95 -2.96 103.07 102.99 1nku h GLY 5 Ca -0.47 -0.06 0.22 0.00 0.00 0.00 0.00 47.33 47.02 1nku h GLY 5 CO 0.77 0.06 0.58 1.49 0.00 0.00 0.00 176.54 179.44 1nku h TRP 6 N 0.05 0.16 -3.19 5.60 4.06 -1.92 -3.40 115.95 117.30 1nku h TRP 6 Ca -0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 1nku h TRP 6 Cb 0.90 -0.05 0.09 0.00 -1.00 0.00 0.00 29.16 29.10 1nku h TRP 6 CO 0.00 0.04 0.78 1.33 -3.56 0.00 0.00 178.44 177.03 1nku n VAL 7 N -4.36 1.16 -3.73 1.49 0.24 -1.12 -4.97 118.33 107.04 1nku n VAL 7 Ca 0.17 -0.29 -0.02 0.00 -2.04 0.00 0.00 64.34 62.16 1nku n VAL 7 Cb 0.82 -1.81 -0.01 0.00 -1.47 0.00 0.00 33.84 31.38 1nku n VAL 7 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1nku n SER 8 N 1.91 -0.15 -4.06 -1.34 7.64 -1.26 -5.07 113.62 111.29 1nku n SER 8 Ca 0.08 -1.24 -0.37 0.00 1.01 0.00 0.00 58.87 58.36 1nku n SER 8 Cb 0.36 0.28 0.05 0.00 -1.01 0.00 0.00 64.21 63.89 1nku n SER 8 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1nku n GLN 9 N -0.07 -0.16 -1.78 1.43 -0.06 -1.26 -4.46 117.38 111.01 1nku n GLN 9 Ca 0.00 -0.04 -0.01 0.00 -2.00 0.00 0.00 57.00 54.95 1nku n GLN 9 Cb 0.07 -1.13 0.00 0.00 -4.06 0.00 0.00 30.24 25.12 1nku n GLN 9 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1nku n ASP 10 N 2.64 -3.26 0.02 1.69 8.00 -1.26 -4.80 116.55 119.58 1nku n ASP 10 Ca -0.01 0.15 0.01 0.00 0.71 0.00 0.00 54.79 55.65 1nku n ASP 10 Cb 0.64 -1.92 0.05 0.00 -0.02 0.00 0.00 41.12 39.87 1nku n ASP 10 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1nku n PRO 11 N -0.33 0.01 -0.17 -0.24 -0.02 -1.26 -1.76 135.00 131.24 1nku n PRO 11 Ca 0.02 0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.81 1nku n PRO 11 Cb 0.08 -1.77 0.20 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.82 -0.24 2.45 5.85 -1.92 -2.79 115.31 119.48 1nku h LEU 12 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1nku h LEU 12 Cb 0.45 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1nku h LEU 12 CO 0.00 0.73 0.10 0.22 -0.34 0.00 0.00 178.44 179.15 1nku h TYR 13 N 0.89 0.35 -0.96 1.25 3.20 -1.66 -2.62 116.97 117.43 1nku h TYR 13 Ca 0.21 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1nku h TYR 13 Cb 0.16 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1nku h TYR 13 CO 0.01 0.36 0.61 0.82 -1.64 0.00 0.00 178.16 178.33 1nku h ILE 14 N 0.24 1.08 -1.01 1.81 2.04 -1.70 0.19 117.51 120.17 1nku h ILE 14 Ca 0.08 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1nku h ILE 14 Cb 0.15 -0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.04 1nku h ILE 14 CO -0.01 0.20 0.66 0.00 0.00 0.00 0.00 178.15 179.01 1nku h ALA 15 N 1.43 1.35 -0.50 1.87 0.00 -1.25 0.16 119.26 122.32 1nku h ALA 15 Ca 0.41 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1nku h ALA 15 Cb 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1nku h ALA 15 CO -0.17 0.55 -0.13 -0.92 0.00 0.00 0.00 179.25 178.59 1nku h TYR 16 N 1.27 1.06 0.04 0.00 3.20 -0.59 0.15 116.97 122.10 1nku h TYR 16 Ca 0.40 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1nku h TYR 16 Cb 0.01 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1nku h TYR 16 CO -0.00 1.01 -0.02 1.25 -1.64 0.00 0.00 178.16 178.76 1nku h HIS 17 N 0.84 -0.05 -0.13 -3.82 2.76 0.95 0.35 115.15 116.05 1nku h HIS 17 Ca 0.13 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.13 1nku h HIS 17 Cb 0.68 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1nku h HIS 17 CO 0.04 -0.00 -0.64 -0.44 -1.30 0.00 0.00 177.93 175.59 1nku h ASP 18 N -0.09 0.55 0.00 3.26 3.32 -0.96 -3.37 116.42 119.12 1nku h ASP 18 Ca -0.01 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1nku h ASP 18 Cb 0.07 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1nku h ASP 18 CO 0.01 1.05 0.00 -3.20 -1.72 0.00 0.00 179.24 175.38 1nku n ASN 19 N -3.90 0.00 -3.68 6.45 2.85 0.51 -4.89 115.26 112.60 1nku n ASN 19 Ca -0.04 0.63 -0.18 0.00 -0.11 0.00 0.00 54.58 54.88 1nku n ASN 19 Cb 0.66 -0.45 -0.17 0.00 1.24 0.00 0.00 39.78 41.06 1nku n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1nku s GLU 20 N -1.57 -0.02 -0.30 1.20 2.02 0.10 -5.06 118.70 115.07 1nku s GLU 20 Ca 0.00 0.46 -0.13 0.00 0.02 0.00 0.00 54.97 55.31 1nku s GLU 20 Cb 0.00 -0.37 0.18 0.00 0.10 0.00 0.00 34.13 34.04 1nku s GLU 20 CO 0.00 -0.30 1.09 -0.46 0.02 0.00 0.00 175.26 175.61 1nku s TRP 21 N 2.12 -0.37 0.00 1.61 -0.00 -1.25 -4.44 118.94 116.61 1nku s TRP 21 Ca 0.03 0.28 0.00 0.00 -0.00 0.00 0.00 56.10 56.41 1nku s TRP 21 Cb -0.12 0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.44 1nku s TRP 21 CO -0.04 -0.21 0.00 0.41 -0.00 0.00 0.00 176.95 177.10 1nku n GLY 22 N 5.24 0.33 3.78 5.86 0.00 -0.96 -5.00 105.19 114.44 1nku n GLY 22 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.06 3.36 0.01 1.61 -7.23 -1.26 -4.10 120.40 110.73 1nku s VAL 23 Ca 0.00 0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 60.72 1nku s VAL 23 Cb 0.00 -3.35 -0.07 0.00 0.56 0.00 0.00 36.38 33.52 1nku s VAL 23 CO 0.00 -0.18 1.70 -2.16 -0.31 0.00 0.00 175.10 174.16 1nku s PRO 24 N -3.24 4.18 -0.18 4.82 0.04 -1.22 -3.57 135.00 135.84 1nku s PRO 24 Ca 0.71 2.31 -0.06 0.00 0.04 0.00 0.00 61.00 63.99 1nku s PRO 24 Cb -0.22 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1nku s PRO 24 CO 0.25 -0.82 0.04 -1.21 0.04 0.00 0.00 177.00 175.30 1nku s GLU 25 N 3.55 3.90 0.00 4.56 2.02 0.04 -4.95 118.70 127.82 1nku s GLU 25 Ca 0.76 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1nku s GLU 25 Cb -0.37 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.72 1nku s GLU 25 CO 0.33 0.27 0.48 0.25 0.02 0.00 0.00 175.26 176.61 1nku n THR 26 N 3.53 0.12 -2.91 3.63 -2.24 -1.26 -4.99 114.28 110.15 1nku n THR 26 Ca -0.17 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 1nku n THR 26 Cb 0.52 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 1nku n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nku s ASP 27 N -0.12 6.74 0.33 3.42 1.01 -1.26 -4.92 116.67 121.87 1nku s ASP 27 Ca 0.00 0.84 0.01 0.00 0.71 0.00 0.00 52.55 54.10 1nku s ASP 27 Cb 0.00 -2.42 0.55 0.00 1.01 0.00 0.00 42.92 42.06 1nku s ASP 27 CO 0.00 -0.58 1.96 0.28 0.21 0.00 0.00 175.17 177.04 1nku h SER 28 N 7.93 0.78 0.44 0.27 0.02 -1.97 0.22 113.55 121.25 1nku h SER 28 Ca -0.24 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1nku h SER 28 Cb 1.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1nku h SER 28 CO 0.88 0.60 -0.21 0.11 -1.14 0.00 0.00 176.83 177.08 1nku h LYS 29 N 0.89 -0.57 -0.61 3.45 1.57 -1.98 0.43 116.57 119.75 1nku h LYS 29 Ca 0.23 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1nku h LYS 29 Cb -0.02 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1nku h LYS 29 CO -0.04 -0.30 0.04 0.87 -0.57 0.00 0.00 179.45 179.45 1nku h LYS 30 N -0.78 1.04 -0.19 3.15 1.79 -1.93 -0.65 116.57 119.00 1nku h LYS 30 Ca -0.06 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.09 1nku h LYS 30 Cb 0.54 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1nku h LYS 30 CO 0.10 0.99 0.05 1.25 -1.08 0.00 0.00 179.45 180.76 1nku h LEU 31 N 0.96 0.29 -0.70 2.94 5.85 -0.48 -2.46 115.31 121.70 1nku h LEU 31 Ca 0.18 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1nku h LEU 31 Cb 0.50 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1nku h LEU 31 CO 0.02 0.44 0.16 0.15 -0.34 0.00 0.00 178.44 178.88 1nku h PHE 32 N 0.11 1.19 -0.11 1.25 3.57 0.01 -2.42 116.94 120.55 1nku h PHE 32 Ca 0.06 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 1nku h PHE 32 Cb 0.27 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1nku h PHE 32 CO 0.01 0.97 -0.06 0.93 -2.23 0.00 0.00 178.31 177.93 1nku h GLU 33 N 1.07 0.15 -0.05 1.11 5.08 -1.00 -2.66 114.58 118.29 1nku h GLU 33 Ca 0.22 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1nku h GLU 33 Cb 0.38 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1nku h GLU 33 CO 0.00 0.23 -0.02 1.98 -1.00 0.00 0.00 179.01 180.20 1nku h MET 34 N 0.15 0.09 -0.43 2.33 4.05 -0.95 -0.70 114.93 119.47 1nku h MET 34 Ca 0.04 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1nku h MET 34 Cb 0.21 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1nku h MET 34 CO 0.01 0.47 0.08 0.97 0.23 0.00 0.00 176.91 178.67 1nku h ILE 35 N -0.29 1.20 -0.02 1.77 6.09 -1.35 0.30 117.51 125.22 1nku h ILE 35 Ca 0.01 -0.75 -0.02 0.00 -1.37 0.00 0.00 64.86 62.73 1nku h ILE 35 Cb 0.44 0.79 0.00 0.00 0.47 0.00 0.00 36.82 38.52 1nku h ILE 35 CO 0.01 0.27 -0.07 0.00 -3.07 0.00 0.00 178.15 175.29 1nku h LEU 37 N -0.55 0.53 -1.60 0.00 5.85 -1.03 -3.00 115.31 115.51 1nku h LEU 37 Ca -0.00 -0.23 0.17 0.00 0.84 0.00 0.00 57.88 58.66 1nku h LEU 37 Cb 0.72 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1nku h LEU 37 CO 0.01 0.88 0.54 -0.08 -0.34 0.00 0.00 178.44 179.45 1nku h GLU 38 N 0.41 0.35 -0.61 1.25 4.57 -0.47 0.27 114.58 120.36 1nku h GLU 38 Ca 0.03 -0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.35 1nku h GLU 38 Cb 0.90 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 1nku h GLU 38 CO 0.08 0.23 0.43 0.78 -1.18 0.00 0.00 179.01 179.35 1nku h GLY 39 N 0.37 0.20 0.72 1.92 0.00 -1.59 0.21 103.07 104.90 1nku h GLY 39 Ca 0.40 -0.05 0.10 0.00 0.00 0.00 0.00 47.33 47.78 1nku h GLY 39 CO -0.13 0.02 0.57 -1.61 0.00 0.00 0.00 176.54 175.39 1nku h GLN 40 N 0.12 0.83 -0.07 4.80 4.15 -0.63 0.71 115.11 125.02 1nku h GLN 40 Ca 0.29 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.68 1nku h GLN 40 Cb 0.99 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 1nku h GLN 40 CO -0.04 0.55 0.11 -0.56 -1.93 0.00 0.00 178.83 176.96 1nku h GLN 41 N 0.86 0.00 -6.00 1.69 -0.00 -1.08 -3.40 115.11 107.18 1nku h GLN 41 Ca 0.41 0.00 -0.76 0.00 -0.00 0.00 0.00 58.65 58.30 1nku h GLN 41 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.88 1nku h GLN 41 CO -0.18 0.00 1.30 0.00 -0.00 0.00 0.00 178.83 179.96 1nku n ALA 42 N -2.24 0.26 0.00 0.06 0.00 0.24 0.33 120.51 119.15 1nku n ALA 42 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1nku n ALA 42 Cb 0.20 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 7.20 2.69 3.85 0.00 0.00 -1.26 -5.00 105.19 112.67 1nku n GLY 43 Ca 0.52 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1nku n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nku s LEU 44 N 0.00 4.05 0.57 0.99 1.43 0.99 -5.08 118.68 121.62 1nku s LEU 44 Ca 0.00 0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1nku s LEU 44 Cb 0.00 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1nku s LEU 44 CO 0.00 0.12 1.13 -0.55 0.23 0.00 0.00 176.35 177.28 1nku s SER 45 N -2.76 5.57 0.53 2.29 0.15 -1.26 -4.59 113.70 113.64 1nku s SER 45 Ca 0.32 2.15 0.24 0.00 0.70 0.00 0.00 55.95 59.36 1nku s SER 45 Cb -0.12 -2.58 1.39 0.00 -1.71 0.00 0.00 66.02 63.01 1nku s SER 45 CO 0.25 -1.32 2.02 4.11 1.20 0.00 0.00 173.24 179.50 1nku h TRP 46 N 0.94 0.00 -0.62 3.44 0.09 -1.98 -0.30 115.95 117.51 1nku h TRP 46 Ca -0.49 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.46 1nku h TRP 46 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 30.47 1nku h TRP 46 CO 0.52 0.00 0.29 0.97 0.09 0.00 0.00 178.44 180.30 1nku h ILE 47 N 0.00 1.21 -0.46 0.12 -0.00 -2.00 -2.12 117.51 114.26 1nku h ILE 47 Ca 0.21 -0.60 -0.05 0.00 -0.00 0.00 0.00 64.86 64.42 1nku h ILE 47 Cb 0.84 0.42 -0.02 0.00 -0.00 0.00 0.00 36.82 38.07 1nku h ILE 47 CO -0.00 0.25 0.10 0.74 -0.00 0.00 0.00 178.15 179.23 1nku h THR 48 N 0.88 1.21 -0.98 2.19 2.02 -1.40 -2.78 112.91 114.04 1nku h THR 48 Ca 0.22 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1nku h THR 48 Cb 0.11 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1nku h THR 48 CO -0.03 0.28 0.64 0.58 0.37 0.00 0.00 175.52 177.36 1nku h VAL 49 N 0.68 1.26 0.01 3.16 2.07 -1.38 -2.15 116.25 119.89 1nku h VAL 49 Ca 0.15 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1nku h VAL 49 Cb 0.28 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1nku h VAL 49 CO -0.00 0.25 -0.18 -0.07 0.02 0.00 0.00 177.57 177.59 1nku h LEU 50 N 1.34 -0.51 -0.02 2.57 3.38 -1.46 1.92 115.31 122.53 1nku h LEU 50 Ca 0.36 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 1nku h LEU 50 Cb -0.14 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1nku h LEU 50 CO -0.08 -0.24 0.01 0.50 0.09 0.00 0.00 178.44 178.72 1nku h LYS 51 N -0.29 0.03 -0.10 1.13 3.64 -1.61 -2.44 116.57 116.92 1nku h LYS 51 Ca 0.05 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1nku h LYS 51 Cb 0.36 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1nku h LYS 51 CO -0.16 0.14 -0.23 0.87 -2.27 0.00 0.00 179.45 177.80 1nku h LYS 52 N -0.09 0.17 -0.66 1.90 1.79 -1.13 -2.67 116.57 115.89 1nku h LYS 52 Ca 0.01 -0.05 0.10 0.00 -2.18 0.00 0.00 60.65 58.53 1nku h LYS 52 Cb 0.12 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.67 1nku h LYS 52 CO -0.00 0.40 0.26 -0.09 -1.08 0.00 0.00 179.45 178.94 1nku h ARG 53 N 0.16 0.43 -0.54 3.15 2.43 0.35 0.90 114.38 121.27 1nku h ARG 53 Ca 0.03 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1nku h ARG 53 Cb 0.49 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1nku h ARG 53 CO 0.03 0.29 0.01 1.49 -1.51 0.00 0.00 179.97 180.28 1nku h GLU 54 N 0.45 0.94 -0.55 0.20 4.81 -1.31 -1.31 114.58 117.81 1nku h GLU 54 Ca 0.34 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1nku h GLU 54 Cb 0.43 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1nku h GLU 54 CO -0.32 0.95 0.06 -0.91 -0.73 0.00 0.00 179.01 178.06 1nku h ASN 55 N 0.82 0.90 -0.46 1.04 2.35 -0.85 -2.21 115.58 117.18 1nku h ASN 55 Ca 0.15 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1nku h ASN 55 Cb 0.52 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1nku h ASN 55 CO 0.03 0.95 0.18 0.22 -1.65 0.00 0.00 177.43 177.16 1nku h TYR 56 N 0.82 0.71 -0.50 1.19 3.20 0.94 -2.08 116.97 121.25 1nku h TYR 56 Ca 0.16 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1nku h TYR 56 Cb 0.45 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1nku h TYR 56 CO 0.03 0.61 0.33 0.00 -1.64 0.00 0.00 178.16 177.49 1nku h ARG 57 N 0.61 0.58 -0.61 1.82 2.47 -1.06 3.24 114.38 121.42 1nku h ARG 57 Ca 0.15 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1nku h ARG 57 Cb 0.20 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1nku h ARG 57 CO -0.01 0.38 0.40 0.00 0.56 0.00 0.00 179.97 181.30 1nku h ALA 58 N 1.71 0.77 0.04 0.04 0.00 -0.74 2.36 119.26 123.43 1nku h ALA 58 Ca 0.19 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1nku h ALA 58 Cb 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1nku h ALA 58 CO -0.05 0.21 -1.97 0.00 0.00 0.00 0.00 179.25 177.45 1nku n PHE 60 N -3.15 1.41 0.13 0.00 3.01 1.07 -4.49 117.46 115.45 1nku n PHE 60 Ca -0.26 -0.65 0.18 0.00 1.01 0.00 0.00 57.45 57.73 1nku n PHE 60 Cb 1.06 -0.27 0.64 0.00 -0.01 0.00 0.00 39.48 40.91 1nku n PHE 60 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1nku h HIS 61 N 3.65 0.00 -0.09 1.38 3.86 0.39 1.91 115.15 126.25 1nku h HIS 61 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1nku h HIS 61 Cb 1.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.93 1nku h HIS 61 CO 0.73 0.00 0.00 0.94 0.86 0.00 0.00 177.93 180.46 1nku n GLN 62 N -3.28 1.50 0.00 2.45 -0.06 -1.26 -4.35 117.38 112.38 1nku n GLN 62 Ca 0.07 -0.44 0.00 0.00 -2.00 0.00 0.00 57.00 54.63 1nku n GLN 62 Cb 0.75 -1.51 0.00 0.00 -4.06 0.00 0.00 30.24 25.42 1nku n GLN 62 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1nku n PHE 63 N 0.04 0.00 -1.34 3.69 7.35 0.65 -3.69 117.46 124.16 1nku n PHE 63 Ca 0.04 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.34 1nku n PHE 63 Cb 0.33 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.18 1nku n PHE 63 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1nku n ASP 64 N -0.48 -2.51 0.21 -2.13 8.00 -1.26 -4.59 116.55 113.79 1nku n ASP 64 Ca 0.00 0.69 -0.15 0.00 0.71 0.00 0.00 54.79 56.04 1nku n ASP 64 Cb 0.00 -0.99 -0.08 0.00 -0.02 0.00 0.00 41.12 40.03 1nku n ASP 64 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1nku h PRO 65 N 0.09 -0.48 -0.12 -0.24 0.13 -1.97 0.11 132.00 129.51 1nku h PRO 65 Ca -0.43 0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.54 1nku h PRO 65 Cb 1.43 0.11 0.01 0.00 0.13 0.00 0.00 31.00 32.68 1nku h PRO 65 CO 0.44 -0.25 -0.67 0.28 -0.23 0.00 0.00 178.00 177.57 1nku h VAL 66 N -0.64 1.32 -0.11 1.56 2.07 -1.93 -2.64 116.25 115.88 1nku h VAL 66 Ca -0.05 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1nku h VAL 66 Cb 0.46 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1nku h VAL 66 CO 0.08 0.60 0.02 0.50 0.02 0.00 0.00 177.57 178.79 1nku h LYS 67 N 0.34 0.19 -0.31 1.57 3.11 -1.86 0.10 116.57 119.70 1nku h LYS 67 Ca -0.05 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.70 1nku h LYS 67 Cb 1.31 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.51 1nku h LYS 67 CO 0.14 0.39 0.02 -0.24 -2.81 0.00 0.00 179.45 176.95 1nku h VAL 68 N -0.04 1.25 0.00 2.00 3.04 -0.85 -2.40 116.25 119.24 1nku h VAL 68 Ca 0.03 -0.89 -0.06 0.00 -1.01 0.00 0.00 66.70 64.78 1nku h VAL 68 Cb 0.29 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 1nku h VAL 68 CO 0.00 0.29 -0.29 0.00 -1.01 0.00 0.00 177.57 176.56 1nku h ALA 69 N 0.86 1.26 0.00 3.17 0.00 -1.47 -1.28 119.26 121.79 1nku h ALA 69 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nku h ALA 69 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nku h ALA 69 CO 0.01 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1nku h ALA 70 N 1.71 1.00 -2.34 0.00 0.00 -0.28 -3.44 119.26 115.92 1nku h ALA 70 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1nku h ALA 70 Cb 0.62 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.51 1nku h ALA 70 CO 0.04 0.00 0.35 -1.64 0.00 0.00 0.00 179.25 178.00 1nku s MET 71 N -3.41 2.62 0.46 0.00 -1.94 -0.49 -5.06 119.30 111.48 1nku s MET 71 Ca 0.02 0.95 0.05 0.00 -1.71 0.00 0.00 55.69 55.01 1nku s MET 71 Cb 0.08 -1.95 -0.03 0.00 2.01 0.00 0.00 34.83 34.94 1nku s MET 71 CO 0.34 -1.33 0.17 -0.65 -0.01 0.00 0.00 175.02 173.55 1nku s GLN 72 N -5.03 2.20 0.46 2.03 -0.21 -1.26 -4.98 119.66 112.87 1nku s GLN 72 Ca 0.59 -2.04 0.19 0.00 0.02 0.00 0.00 55.36 54.12 1nku s GLN 72 Cb -0.15 -1.86 1.17 0.00 1.00 0.00 0.00 33.01 33.16 1nku s GLN 72 CO 0.55 -0.27 1.93 0.93 -2.12 0.00 0.00 175.29 176.31 1nku h GLU 73 N 1.30 0.28 -0.83 2.91 5.08 -1.99 0.24 114.58 121.57 1nku h GLU 73 Ca -0.42 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.05 1nku h GLU 73 Cb 1.28 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 1nku h GLU 73 CO 0.69 0.19 0.54 1.49 -1.00 0.00 0.00 179.01 180.92 1nku h GLU 74 N 0.29 0.65 -0.88 2.33 4.81 -2.00 0.16 114.58 119.93 1nku h GLU 74 Ca 0.36 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1nku h GLU 74 Cb 0.98 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 1nku h GLU 74 CO -0.09 0.43 0.58 0.22 -0.73 0.00 0.00 179.01 179.42 1nku h ASP 75 N 0.67 0.99 -0.66 1.04 3.58 -0.90 -1.80 116.42 119.34 1nku h ASP 75 Ca 0.40 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 1nku h ASP 75 Cb 0.63 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1nku h ASP 75 CO -0.17 0.71 0.37 0.58 -2.88 0.00 0.00 179.24 177.86 1nku h VAL 76 N 1.17 1.20 -0.73 2.25 2.07 -0.72 -1.75 116.25 119.74 1nku h VAL 76 Ca 0.33 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1nku h VAL 76 Cb -0.10 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1nku h VAL 76 CO -0.08 0.22 0.31 -0.08 0.02 0.00 0.00 177.57 177.96 1nku h GLU 77 N 0.90 1.07 -0.14 1.57 4.81 -1.08 0.10 114.58 121.82 1nku h GLU 77 Ca 0.23 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1nku h GLU 77 Cb 0.03 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1nku h GLU 77 CO -0.04 0.86 0.06 -0.09 -0.73 0.00 0.00 179.01 179.07 1nku h ARG 78 N 1.06 0.21 -0.14 1.92 2.43 -0.75 -2.83 114.38 116.27 1nku h ARG 78 Ca 0.25 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 1nku h ARG 78 Cb 0.18 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1nku h ARG 78 CO -0.02 0.31 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.17 1nku h LEU 79 N 0.07 0.42 -1.11 3.80 3.38 -1.12 -2.34 115.31 118.41 1nku h LEU 79 Ca 0.05 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 57.93 1nku h LEU 79 Cb 0.18 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1nku h LEU 79 CO -0.00 0.85 0.61 0.58 0.09 0.00 0.00 178.44 180.57 1nku h VAL 80 N 0.31 0.90 0.00 1.22 2.07 -0.62 0.26 116.25 120.37 1nku h VAL 80 Ca 0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1nku h VAL 80 Cb 0.99 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1nku h VAL 80 CO 0.09 0.16 -0.23 -0.61 0.02 0.00 0.00 177.57 177.00 1nku h GLN 81 N 0.89 0.00 -6.37 1.57 4.15 -1.28 -3.26 115.11 110.80 1nku h GLN 81 Ca 0.48 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 59.33 1nku h GLN 81 Cb 0.56 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.16 1nku h GLN 81 CO -0.24 0.00 0.88 0.34 -1.93 0.00 0.00 178.83 177.88 1nku s ASP 82 N -5.32 6.39 0.00 -0.69 2.15 0.90 -4.16 116.67 115.94 1nku s ASP 82 Ca 0.07 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.98 1nku s ASP 82 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1nku s ASP 82 CO 0.67 -1.45 0.00 0.00 -0.17 0.00 0.00 175.17 174.22 1nku n ALA 83 N 8.28 0.00 -4.22 3.66 0.00 -1.26 -2.57 120.51 124.40 1nku n ALA 83 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 1nku n ALA 83 Cb 0.49 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 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 0.01 -0.29 3.39 0.00 0.00 -1.23 -4.59 105.19 102.48 1nku n GLY 84 Ca 0.00 0.14 -0.62 0.00 0.00 0.00 0.00 46.02 45.54 1nku n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nku n ILE 85 N -4.39 0.00 0.00 -0.61 -0.00 -1.06 -4.60 119.36 108.70 1nku n ILE 85 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1nku n ILE 85 Cb 0.60 -0.50 0.00 0.00 -0.00 0.00 0.00 39.64 39.74 1nku n ILE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1nku n ILE 86 N 5.77 0.00 -1.56 1.39 3.06 -1.26 -4.36 119.36 122.39 1nku n ILE 86 Ca 0.48 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 60.35 1nku n ILE 86 Cb -0.05 0.00 0.05 0.00 0.54 0.00 0.00 39.64 40.18 1nku n ILE 86 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1nku n ARG 87 N 0.00 0.75 -4.22 9.51 1.74 -1.26 -5.00 116.66 118.19 1nku n ARG 87 Ca 0.00 0.29 -0.18 0.00 -0.77 0.00 0.00 57.85 57.19 1nku n ARG 87 Cb 0.00 -1.98 -0.06 0.00 -1.02 0.00 0.00 32.46 29.40 1nku n ARG 87 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1nku s HIS 88 N -1.58 1.56 0.00 -1.55 -3.43 -1.26 -4.71 115.29 104.32 1nku s HIS 88 Ca 0.73 -1.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.42 1nku s HIS 88 Cb -0.43 -0.49 0.00 0.00 -1.43 0.00 0.00 32.58 30.22 1nku s HIS 88 CO 0.50 -1.00 0.00 -2.13 -2.00 0.00 0.00 174.74 170.11 1nku n ARG 89 N -0.63 0.00 -0.02 -0.38 3.00 -1.26 -3.40 116.66 113.96 1nku n ARG 89 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.79 1nku n ARG 89 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.02 1nku n ARG 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1nku h GLY 90 N 0.00 0.19 0.86 5.14 0.00 -1.99 0.84 103.07 108.10 1nku h GLY 90 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1nku h GLY 90 CO 0.00 0.10 -0.03 1.70 0.00 0.00 0.00 176.54 178.31 1nku h LYS 91 N -0.00 0.50 -0.79 4.80 3.64 -1.85 -2.82 116.57 120.05 1nku h LYS 91 Ca 0.04 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1nku h LYS 91 Cb 0.21 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1nku h LYS 91 CO -0.00 0.69 0.44 0.82 -2.27 0.00 0.00 179.45 179.13 1nku h ILE 92 N 0.26 1.23 -0.99 2.00 2.04 -1.78 -1.39 117.51 118.88 1nku h ILE 92 Ca 0.07 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.46 1nku h ILE 92 Cb 0.49 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1nku h ILE 92 CO 0.02 0.25 0.63 -0.61 0.00 0.00 0.00 178.15 178.45 1nku h GLN 93 N 1.10 1.06 -0.35 2.37 4.15 -0.62 -0.84 115.11 121.97 1nku h GLN 93 Ca 0.28 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.48 1nku h GLN 93 Cb 0.01 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 1nku h GLN 93 CO -0.05 0.70 -0.39 0.00 -1.93 0.00 0.00 178.83 177.17 1nku h ALA 94 N 1.48 0.65 -0.05 3.38 0.00 -1.05 -2.84 119.26 120.83 1nku h ALA 94 Ca 0.45 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nku h ALA 94 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1nku h ALA 94 CO -0.21 0.67 -0.07 0.82 0.00 0.00 0.00 179.25 180.46 1nku h ILE 95 N 0.69 0.80 -0.36 0.00 2.04 -0.20 0.24 117.51 120.72 1nku h ILE 95 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1nku h ILE 95 Cb 0.96 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1nku h ILE 95 CO 0.09 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.84 1nku h ILE 96 N -0.10 1.02 -0.30 -0.67 2.04 -1.35 -1.61 117.51 116.53 1nku h ILE 96 Ca 0.04 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1nku h ILE 96 Cb 0.16 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1nku h ILE 96 CO -0.11 0.07 0.07 1.23 0.00 0.00 0.00 178.15 179.42 1nku h GLY 97 N 0.41 0.47 0.98 5.37 0.00 -1.21 -2.43 103.07 106.65 1nku h GLY 97 Ca 0.14 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1nku h GLY 97 CO -0.08 0.22 0.58 3.43 0.00 0.00 0.00 176.54 180.69 1nku h ASN 98 N 0.43 0.99 -0.34 0.19 -0.26 0.46 -1.70 115.58 115.35 1nku h ASN 98 Ca 0.10 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.69 1nku h ASN 98 Cb 0.17 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1nku h ASN 98 CO -0.00 0.71 -0.29 0.00 -1.06 0.00 0.00 177.43 176.79 1nku h ALA 99 N 1.33 0.74 -0.62 -0.83 0.00 -1.16 0.09 119.26 118.80 1nku h ALA 99 Ca 0.33 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nku h ALA 99 Cb -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1nku h ALA 99 CO -0.08 0.66 0.38 -0.09 0.00 0.00 0.00 179.25 180.12 1nku h ARG 100 N 0.73 0.71 -0.15 0.00 9.65 -1.14 -0.41 114.38 123.76 1nku h ARG 100 Ca 0.08 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.80 1nku h ARG 100 Cb 0.84 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 1nku h ARG 100 CO 0.07 0.47 -0.44 0.00 2.80 0.00 0.00 179.97 182.87 1nku h ALA 101 N 1.28 0.96 -0.59 2.80 0.00 -1.11 -2.83 119.26 119.76 1nku h ALA 101 Ca 0.26 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1nku h ALA 101 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1nku h ALA 101 CO -0.12 0.63 0.36 -0.92 0.00 0.00 0.00 179.25 179.21 1nku h TYR 102 N 0.30 0.67 -0.69 0.00 3.20 0.50 -1.40 116.97 119.55 1nku h TYR 102 Ca 0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1nku h TYR 102 Cb 0.90 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1nku h TYR 102 CO 0.02 0.38 0.31 -0.07 -1.64 0.00 0.00 178.16 177.16 1nku h LEU 103 N 0.71 0.91 -1.15 2.82 3.38 -0.93 -2.00 115.31 119.04 1nku h LEU 103 Ca 0.24 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1nku h LEU 103 Cb 0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1nku h LEU 103 CO -0.10 0.78 0.58 1.56 0.09 0.00 0.00 178.44 181.35 1nku h GLN 104 N 0.99 1.12 -0.85 1.13 4.20 -1.05 -1.17 115.11 119.47 1nku h GLN 104 Ca 0.24 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1nku h GLN 104 Cb 0.14 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1nku h GLN 104 CO -0.03 0.74 0.43 0.52 -0.67 0.00 0.00 178.83 179.83 1nku h MET 105 N 1.16 1.21 -0.32 1.46 2.86 -0.75 -2.45 114.93 118.10 1nku h MET 105 Ca 0.33 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 1nku h MET 105 Cb -0.09 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.33 1nku h MET 105 CO -0.08 0.92 -0.32 1.49 1.06 0.00 0.00 176.91 179.97 1nku h GLU 106 N 1.21 0.68 -0.80 1.72 4.57 -1.06 -2.20 114.58 118.69 1nku h GLU 106 Ca 0.30 -0.31 0.18 0.00 -1.18 0.00 0.00 59.36 58.34 1nku h GLU 106 Cb 0.08 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1nku h GLU 106 CO -0.04 0.91 0.54 1.96 -1.18 0.00 0.00 179.01 181.20 1nku h GLN 107 N 0.58 0.34 -0.01 1.92 4.20 -0.76 1.77 115.11 123.15 1nku h GLN 107 Ca 0.06 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1nku h GLN 107 Cb 0.83 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1nku h GLN 107 CO 0.07 0.22 -0.17 -1.71 -0.67 0.00 0.00 178.83 176.57 1nku n ASN 108 N -4.47 0.73 -1.95 1.46 4.05 -0.96 -4.91 115.26 109.21 1nku n ASN 108 Ca 0.16 -0.72 -0.15 0.00 0.45 0.00 0.00 54.58 54.32 1nku n ASN 108 Cb 0.63 0.02 0.01 0.00 1.23 0.00 0.00 39.78 41.67 1nku n ASN 108 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nku n GLY 109 N 1.30 -0.16 2.78 8.20 0.00 0.60 -4.97 105.19 112.95 1nku n GLY 109 Ca 0.13 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.11 1.80 0.68 1.61 2.56 -0.87 -5.01 118.70 114.36 1nku s GLU 110 Ca 0.14 -2.65 -0.17 0.00 0.00 0.00 0.00 54.97 52.29 1nku s GLU 110 Cb -0.06 -2.79 0.00 0.00 2.00 0.00 0.00 34.13 33.29 1nku s GLU 110 CO 0.17 -1.24 1.26 -2.30 -0.56 0.00 0.00 175.26 172.59 1nku n PRO 111 N 2.75 0.94 -0.23 4.30 -0.02 -1.26 -4.66 135.00 136.82 1nku n PRO 111 Ca 0.16 0.38 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1nku n PRO 111 Cb 0.36 -2.50 0.08 0.00 -0.02 0.00 0.00 33.50 31.42 1nku n PRO 111 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1nku h PHE 112 N 0.26 0.73 -0.34 6.00 -1.00 -1.95 0.32 116.94 120.96 1nku h PHE 112 Ca -0.50 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.34 1nku h PHE 112 Cb 1.33 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 40.63 1nku h PHE 112 CO 0.42 0.40 0.13 0.00 -1.61 0.00 0.00 178.31 177.65 1nku h ALA 113 N 1.31 0.40 -0.30 2.45 0.00 -1.91 0.87 119.26 122.08 1nku h ALA 113 Ca 0.28 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1nku h ALA 113 Cb 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1nku h ALA 113 CO -0.13 -0.26 -0.28 -0.44 0.00 0.00 0.00 179.25 178.14 1nku h ASP 114 N 0.29 0.76 -0.23 0.00 3.32 -1.77 -2.70 116.42 116.09 1nku h ASP 114 Ca 0.15 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1nku h ASP 114 Cb 0.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1nku h ASP 114 CO -0.14 1.07 0.06 0.15 -1.72 0.00 0.00 179.24 178.66 1nku h PHE 115 N 0.47 0.38 -0.48 4.55 3.57 0.05 -2.40 116.94 123.09 1nku h PHE 115 Ca 0.05 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1nku h PHE 115 Cb 0.85 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1nku h PHE 115 CO 0.07 0.47 0.25 0.28 -2.23 0.00 0.00 178.31 177.15 1nku h VAL 116 N 0.19 0.98 -0.53 1.41 2.07 0.74 -1.62 116.25 119.49 1nku h VAL 116 Ca 0.07 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1nku h VAL 116 Cb 0.28 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1nku h VAL 116 CO 0.00 0.09 0.25 -0.50 0.02 0.00 0.00 177.57 177.43 1nku h TRP 117 N 0.49 0.74 -0.73 1.57 4.06 -1.39 -2.20 115.95 118.48 1nku h TRP 117 Ca 0.21 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.17 1nku h TRP 117 Cb 0.10 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 27.98 1nku h TRP 117 CO -0.09 0.55 0.48 0.77 -3.56 0.00 0.00 178.44 176.59 1nku h SER 118 N 0.75 0.77 -0.44 -3.49 0.02 -0.77 0.18 113.55 110.56 1nku h SER 118 Ca 0.19 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1nku h SER 118 Cb 0.09 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1nku h SER 118 CO -0.02 0.53 0.20 -0.26 -1.14 0.00 0.00 176.83 176.14 1nku h PHE 119 N 0.90 0.69 -0.61 3.45 -1.00 -1.13 -0.90 116.94 118.34 1nku h PHE 119 Ca 0.29 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.04 1nku h PHE 119 Cb 0.05 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.39 1nku h PHE 119 CO -0.00 0.54 0.00 1.33 -1.61 0.00 0.00 178.31 178.57 1nku n VAL 120 N -4.36 0.90 -3.10 -0.55 0.24 -0.70 -4.91 118.33 105.87 1nku n VAL 120 Ca 0.04 -0.84 -0.23 0.00 -2.04 0.00 0.00 64.34 61.27 1nku n VAL 120 Cb 0.15 0.37 0.04 0.00 -1.47 0.00 0.00 33.84 32.93 1nku n VAL 120 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nku n ASN 121 N 1.25 -6.21 -2.59 -1.34 5.15 -0.34 -1.21 115.26 109.97 1nku n ASN 121 Ca 0.21 -0.32 -0.16 0.00 -0.60 0.00 0.00 54.58 53.70 1nku n ASN 121 Cb 0.55 -4.99 -0.00 0.00 -0.53 0.00 0.00 39.78 34.80 1nku n ASN 121 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1nku n HIS 122 N -4.60 -1.41 -3.93 1.20 8.25 0.49 -4.91 115.22 110.32 1nku n HIS 122 Ca -0.10 0.10 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1nku n HIS 122 Cb 0.61 -3.22 -0.14 0.00 1.12 0.00 0.00 29.99 28.36 1nku n HIS 122 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1nku s GLN 123 N -5.20 1.90 0.54 -0.41 0.74 -0.35 -5.10 119.66 111.78 1nku s GLN 123 Ca 0.07 -2.56 -0.19 0.00 0.05 0.00 0.00 55.36 52.73 1nku s GLN 123 Cb -0.04 -3.22 -0.09 0.00 1.10 0.00 0.00 33.01 30.77 1nku s GLN 123 CO 0.09 -1.11 0.60 -2.30 -0.55 0.00 0.00 175.29 172.02 1nku n PRO 124 N 3.15 0.62 -4.14 1.67 -0.02 -1.26 -4.94 135.00 130.08 1nku n PRO 124 Ca 0.05 0.24 -0.27 0.00 -2.02 0.00 0.00 63.50 61.50 1nku n PRO 124 Cb 0.32 -1.74 -0.07 0.00 -0.02 0.00 0.00 33.50 31.99 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 -2.07 2.63 0.10 -0.52 -1.52 -0.52 -5.03 119.66 112.73 1nku s GLN 125 Ca 0.68 -0.97 0.05 0.00 -1.95 0.00 0.00 55.36 53.17 1nku s GLN 125 Cb -0.47 -2.50 -0.03 0.00 -0.22 0.00 0.00 33.01 29.78 1nku s GLN 125 CO 0.54 0.48 -0.13 -1.64 -0.25 0.00 0.00 175.29 174.29 1nku s MET 126 N -2.91 0.92 0.07 2.91 -1.94 -1.26 -0.75 119.30 116.33 1nku s MET 126 Ca 0.29 -1.13 0.02 0.00 -1.71 0.00 0.00 55.69 53.15 1nku s MET 126 Cb -0.10 -0.79 -0.03 0.00 2.01 0.00 0.00 34.83 35.91 1nku s MET 126 CO 0.20 0.15 -0.07 -0.08 -0.01 0.00 0.00 175.02 175.22 1nku s THR 127 N -1.93 0.58 -0.39 2.05 -1.32 -1.08 -4.85 115.64 108.69 1nku s THR 127 Ca 0.05 -1.59 0.10 0.00 -1.21 0.00 0.00 61.69 59.03 1nku s THR 127 Cb -0.06 -1.25 0.44 0.00 -1.51 0.00 0.00 72.50 70.12 1nku s THR 127 CO 0.02 -0.70 1.05 0.00 -2.21 0.00 0.00 174.62 172.78 1nku n GLN 128 N 0.55 2.55 -2.29 7.08 3.00 -1.26 -4.83 117.38 122.17 1nku n GLN 128 Ca -0.16 -4.02 -0.42 0.00 -0.01 0.00 0.00 57.00 52.39 1nku n GLN 128 Cb 0.58 -1.86 -0.03 0.00 0.00 0.00 0.00 30.24 28.94 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nku s ALA 129 N -3.38 3.54 0.11 -1.58 0.00 -1.26 -4.85 121.76 114.34 1nku s ALA 129 Ca 0.40 0.86 -0.09 0.00 0.00 0.00 0.00 51.96 53.13 1nku s ALA 129 Cb 0.42 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.85 1nku s ALA 129 CO -0.10 -0.78 1.27 1.15 0.00 0.00 0.00 175.76 177.30 1nku h THR 130 N 4.79 1.34 -2.42 0.00 2.02 -1.92 -1.77 112.91 114.96 1nku h THR 130 Ca -0.38 -2.30 -0.55 0.00 0.77 0.00 0.00 66.41 63.95 1nku h THR 130 Cb 1.18 2.33 -0.14 0.00 -1.74 0.00 0.00 68.15 69.79 1nku h THR 130 CO 0.88 0.70 -0.73 -0.89 0.37 0.00 0.00 175.52 175.85 1nku s THR 131 N -3.37 2.14 0.34 3.16 2.01 -1.26 -4.32 115.64 114.35 1nku s THR 131 Ca -0.08 -2.30 0.07 0.00 0.31 0.00 0.00 61.69 59.69 1nku s THR 131 Cb 0.08 -2.28 0.31 0.00 0.01 0.00 0.00 72.50 70.63 1nku s THR 131 CO 0.89 -0.43 1.88 -0.07 -0.69 0.00 0.00 174.62 176.21 1nku h LEU 132 N 2.33 0.70 -1.56 4.42 3.38 -1.97 0.13 115.31 122.74 1nku h LEU 132 Ca -0.40 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1nku h LEU 132 Cb 1.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1nku h LEU 132 CO 0.63 0.38 -0.02 0.77 0.09 0.00 0.00 178.44 180.29 1nku h SER 133 N 0.76 0.23 0.44 -0.43 4.64 -1.98 -1.06 113.55 116.14 1nku h SER 133 Ca 0.43 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 1nku h SER 133 Cb 0.59 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1nku h SER 133 CO -0.19 0.30 -0.17 -0.33 -0.87 0.00 0.00 176.83 175.56 1nku h GLU 134 N 0.25 0.00 -6.26 4.77 4.39 -1.12 -3.42 114.58 113.18 1nku h GLU 134 Ca 0.06 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.21 1nku h GLU 134 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1nku h GLU 134 CO 0.01 0.17 1.11 0.42 -1.16 0.00 0.00 179.01 179.56 1nku s ILE 135 N -4.14 3.54 0.08 3.13 -1.09 -0.40 -4.81 121.20 117.51 1nku s ILE 135 Ca -0.02 0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 58.75 1nku s ILE 135 Cb 0.13 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 1nku s ILE 135 CO 0.62 -0.08 1.07 -2.16 -1.23 0.00 0.00 174.94 173.17 1nku s PRO 136 N 4.17 4.55 0.00 2.79 0.04 -1.26 -4.93 135.00 140.36 1nku s PRO 136 Ca 0.75 1.61 0.18 0.00 0.04 0.00 0.00 61.00 63.57 1nku s PRO 136 Cb -0.33 -3.37 0.33 0.00 0.04 0.00 0.00 34.50 31.17 1nku s PRO 136 CO 0.30 -0.04 1.25 -2.37 0.04 0.00 0.00 177.00 176.18 1nku n THR 137 N 3.37 0.54 -3.59 1.26 5.66 -1.26 -4.77 114.28 115.49 1nku n THR 137 Ca 0.06 -0.77 -0.29 0.00 -3.05 0.00 0.00 64.05 59.99 1nku n THR 137 Cb 0.48 0.91 -0.13 0.00 -1.55 0.00 0.00 70.33 70.03 1nku n THR 137 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1nku s SER 138 N -1.23 3.46 0.21 1.09 0.15 -1.26 -4.89 113.70 111.23 1nku s SER 138 Ca 0.30 -2.00 0.08 0.00 0.70 0.00 0.00 55.95 55.03 1nku s SER 138 Cb 0.17 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.81 1nku s SER 138 CO 0.24 -0.35 0.03 0.42 1.20 0.00 0.00 173.24 174.78 1nku s THR 139 N 1.22 3.79 0.32 6.45 -4.23 -1.26 -4.98 115.64 116.95 1nku s THR 139 Ca 0.14 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 1nku s THR 139 Cb -0.21 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 70.98 1nku s THR 139 CO -0.12 -0.21 1.82 1.55 -0.54 0.00 0.00 174.62 177.12 1nku h PRO 140 N 2.32 0.76 -0.05 3.99 0.13 -1.99 -0.35 132.00 136.81 1nku h PRO 140 Ca -0.47 -0.05 -0.24 0.00 -0.87 0.00 0.00 66.00 64.38 1nku h PRO 140 Cb 1.22 -0.17 0.02 0.00 0.13 0.00 0.00 31.00 32.19 1nku h PRO 140 CO 0.59 0.51 -0.89 0.00 -0.23 0.00 0.00 178.00 177.98 1nku h ALA 141 N 1.60 0.18 -0.54 -0.56 0.00 -1.95 -2.72 119.26 115.27 1nku h ALA 141 Ca 0.52 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nku h ALA 141 Cb 0.77 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1nku h ALA 141 CO -0.29 0.63 0.33 1.03 0.00 0.00 0.00 179.25 180.95 1nku h SER 142 N 0.37 0.65 -0.27 0.00 0.87 -1.67 0.72 113.55 114.22 1nku h SER 142 Ca -0.10 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1nku h SER 142 Cb 1.54 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1nku h SER 142 CO 0.18 0.51 0.11 -0.78 -0.53 0.00 0.00 176.83 176.32 1nku h ASP 143 N 0.73 0.36 -0.31 6.23 3.58 -1.15 -0.42 116.42 125.44 1nku h ASP 143 Ca 0.19 -0.16 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 1nku h ASP 143 Cb -0.02 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1nku h ASP 143 CO -0.04 0.42 -0.27 0.00 -2.88 0.00 0.00 179.24 176.48 1nku h ALA 144 N 0.95 0.79 -0.63 -0.78 0.00 -1.19 -2.49 119.26 115.92 1nku h ALA 144 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1nku h ALA 144 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1nku h ALA 144 CO -0.01 0.65 0.36 1.25 0.00 0.00 0.00 179.25 181.51 1nku h LEU 145 N 0.70 0.77 -0.59 0.00 7.12 0.73 -1.37 115.31 122.67 1nku h LEU 145 Ca 0.09 -0.07 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 1nku h LEU 145 Cb 0.81 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.72 1nku h LEU 145 CO 0.07 0.62 0.20 0.28 -0.13 0.00 0.00 178.44 179.48 1nku h SER 146 N 0.85 0.85 -0.44 1.25 0.02 -0.92 -2.47 113.55 112.68 1nku h SER 146 Ca 0.22 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1nku h SER 146 Cb 0.00 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1nku h SER 146 CO -0.04 0.81 0.18 0.11 -1.14 0.00 0.00 176.83 176.76 1nku h LYS 147 N 0.83 0.71 -0.53 3.45 1.57 -1.03 -2.39 116.57 119.18 1nku h LYS 147 Ca 0.19 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1nku h LYS 147 Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1nku h LYS 147 CO -0.01 0.60 0.17 0.00 -0.57 0.00 0.00 179.45 179.63 1nku h ALA 148 N 1.50 0.69 -0.72 3.86 0.00 -0.82 -2.54 119.26 121.23 1nku h ALA 148 Ca 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nku h ALA 148 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1nku h ALA 148 CO -0.01 0.35 0.27 -0.07 0.00 0.00 0.00 179.25 179.79 1nku h LEU 149 N 0.72 0.99 -1.07 0.00 3.38 -1.11 -2.45 115.31 115.77 1nku h LEU 149 Ca 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1nku h LEU 149 Cb 0.27 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1nku h LEU 149 CO -0.01 0.89 0.47 0.11 0.09 0.00 0.00 178.44 180.00 1nku h LYS 150 N 1.05 1.11 -0.75 1.13 1.57 -1.13 -1.97 116.57 117.58 1nku h LYS 150 Ca 0.24 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1nku h LYS 150 Cb 0.22 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1nku h LYS 150 CO -0.02 0.79 0.47 -0.22 -0.57 0.00 0.00 179.45 179.91 1nku h LYS 151 N 1.13 1.01 0.00 3.15 1.63 -1.04 0.14 116.57 122.59 1nku h LYS 151 Ca 0.29 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1nku h LYS 151 Cb -0.02 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.39 1nku h LYS 151 CO -0.05 0.69 -0.00 0.00 -3.45 0.00 0.00 179.45 176.64 1nku h ARG 152 N 1.03 0.00 0.00 1.90 2.47 -1.24 -3.45 114.38 115.09 1nku h ARG 152 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1nku h ARG 152 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1nku h ARG 152 CO -0.05 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.89 1nku n GLY 153 N -0.66 1.69 3.73 0.04 0.00 0.04 -4.89 105.19 105.14 1nku n GLY 153 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 3.54 0.40 1.61 0.40 -1.16 -4.96 117.98 115.81 1nku s PHE 154 Ca 0.00 0.91 0.02 0.00 -0.60 0.00 0.00 56.93 57.27 1nku s PHE 154 Cb 0.00 -2.53 -0.01 0.00 0.51 0.00 0.00 43.02 40.99 1nku s PHE 154 CO 0.00 0.22 0.59 0.15 0.70 0.00 0.00 175.22 176.88 1nku s LYS 155 N 0.42 3.12 -1.21 0.44 1.02 -1.26 -4.46 119.74 117.81 1nku s LYS 155 Ca 0.26 -0.66 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 1nku s LYS 155 Cb -0.15 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1nku s LYS 155 CO 0.11 -0.12 0.97 1.19 -0.92 0.00 0.00 175.35 176.58 1nku n PHE 156 N -1.90 -2.17 -1.37 3.18 3.72 -1.26 -4.91 117.46 112.75 1nku n PHE 156 Ca 0.00 0.93 0.08 0.00 -0.05 0.00 0.00 57.45 58.41 1nku n PHE 156 Cb 0.58 -4.99 0.17 0.00 -0.94 0.00 0.00 39.48 34.29 1nku n PHE 156 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1nku n VAL 157 N -4.12 1.96 -1.13 -4.37 0.24 -1.26 -4.64 118.33 105.00 1nku n VAL 157 Ca -0.29 -2.65 -0.37 0.00 -2.04 0.00 0.00 64.34 58.99 1nku n VAL 157 Cb 0.67 -0.20 0.04 0.00 -1.47 0.00 0.00 33.84 32.88 1nku n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nku n GLY 158 N -1.21 -3.44 0.35 7.63 0.00 -1.26 -4.45 105.19 102.79 1nku n GLY 158 Ca 0.17 -0.50 0.17 0.00 0.00 0.00 0.00 46.02 45.86 1nku n GLY 158 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nku h THR 159 N -0.55 0.65 -0.49 2.61 2.02 -1.95 -0.64 112.91 114.56 1nku h THR 159 Ca -0.43 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1nku h THR 159 Cb 1.36 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1nku h THR 159 CO 0.34 0.00 0.14 0.71 0.37 0.00 0.00 175.52 177.08 1nku h THR 160 N 0.00 1.23 -0.23 3.16 1.35 -1.90 -0.07 112.91 116.45 1nku h THR 160 Ca 0.14 -0.80 -0.12 0.00 -0.55 0.00 0.00 66.41 65.08 1nku h THR 160 Cb 0.66 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1nku h THR 160 CO -0.00 0.29 -0.37 0.40 -0.25 0.00 0.00 175.52 175.59 1nku h ILE 161 N 0.67 1.29 -0.47 6.82 2.04 -1.42 -2.35 117.51 124.09 1nku h ILE 161 Ca 0.16 -1.49 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1nku h ILE 161 Cb 0.30 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1nku h ILE 161 CO -0.00 0.47 0.03 0.00 0.00 0.00 0.00 178.15 178.65 1nku h TYR 163 N 0.66 0.64 -0.65 0.00 3.20 -0.84 -1.69 116.97 118.29 1nku h TYR 163 Ca 0.14 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1nku h TYR 163 Cb 0.46 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1nku h TYR 163 CO 0.03 0.51 0.35 0.66 -1.64 0.00 0.00 178.16 178.08 1nku h SER 164 N 0.58 0.80 -0.89 -2.11 4.64 -1.26 -1.28 113.55 114.03 1nku h SER 164 Ca 0.15 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1nku h SER 164 Cb 0.11 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.96 1nku h SER 164 CO -0.02 0.65 0.50 0.15 -0.87 0.00 0.00 176.83 177.24 1nku h PHE 165 N 0.90 1.22 -0.74 4.77 3.57 -0.62 -1.86 116.94 124.18 1nku h PHE 165 Ca 0.23 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1nku h PHE 165 Cb 0.03 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.34 1nku h PHE 165 CO 0.01 0.83 0.42 0.52 -2.23 0.00 0.00 178.31 177.86 1nku h MET 166 N 1.25 1.02 -0.98 1.11 2.86 -0.36 -0.62 114.93 119.22 1nku h MET 166 Ca 0.32 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1nku h MET 166 Cb 0.01 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.41 1nku h MET 166 CO -0.05 0.74 0.65 1.96 1.06 0.00 0.00 176.91 181.27 1nku h GLN 167 N 1.03 1.27 -0.22 1.72 4.20 -0.94 0.41 115.11 122.58 1nku h GLN 167 Ca 0.26 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 1nku h GLN 167 Cb 0.01 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 27.50 1nku h GLN 167 CO -0.04 0.84 -0.47 0.00 -0.67 0.00 0.00 178.83 178.48 1nku h ALA 168 N 1.37 0.35 -0.56 3.87 0.00 -1.12 -2.53 119.26 120.65 1nku h ALA 168 Ca 0.37 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1nku h ALA 168 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1nku h ALA 168 CO -0.09 0.51 -0.09 0.00 0.00 0.00 0.00 179.25 179.57 1nku n GLY 170 N -0.29 0.89 0.36 0.00 0.00 0.14 -0.78 105.19 105.52 1nku n GLY 170 Ca 0.02 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 0.74 -9.06 0.99 3.38 -1.84 -3.40 115.31 106.12 1nku h LEU 171 Ca 0.00 0.02 -0.68 0.00 0.09 0.00 0.00 57.88 57.31 1nku h LEU 171 Cb 0.00 -0.13 -0.20 0.00 0.09 0.00 0.00 40.66 40.42 1nku h LEU 171 CO 0.00 0.43 -0.70 0.68 0.09 0.00 0.00 178.44 178.93 1nku s VAL 172 N -5.75 3.61 -0.61 1.22 -7.23 -1.26 -1.44 120.40 108.94 1nku s VAL 172 Ca -0.10 -0.51 -0.21 0.00 -1.81 0.00 0.00 61.98 59.35 1nku s VAL 172 Cb 0.21 -2.47 0.08 0.00 0.56 0.00 0.00 36.38 34.76 1nku s VAL 172 CO 0.79 0.59 0.81 0.21 -0.31 0.00 0.00 175.10 177.19 1nku s ASN 173 N -0.74 6.19 0.37 4.85 3.84 0.07 -4.90 114.94 124.62 1nku s ASN 173 Ca 0.11 -1.17 0.01 0.00 0.21 0.00 0.00 52.86 52.02 1nku s ASN 173 Cb -0.11 -2.35 -0.00 0.00 -0.55 0.00 0.00 41.25 38.23 1nku s ASN 173 CO 0.01 -1.23 0.02 -0.90 -2.79 0.00 0.00 177.10 172.22 1nku n ASP 174 N 6.90 2.73 0.00 -4.21 5.68 -1.26 -2.64 116.55 123.76 1nku n ASP 174 Ca -0.07 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.54 1nku n ASP 174 Cb 0.44 0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 1nku n ASP 174 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1nku n HIS 175 N -0.91 0.00 -0.54 2.11 8.25 -1.26 -5.01 115.22 117.85 1nku n HIS 175 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1nku n HIS 175 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 -2.44 -1.98 1.59 3.14 -1.26 -4.36 118.33 113.03 1nku n VAL 176 Ca 0.00 0.80 -0.41 0.00 -2.96 0.00 0.00 64.34 61.77 1nku n VAL 176 Cb 0.00 -1.34 -0.02 0.00 -1.06 0.00 0.00 33.84 31.42 1nku n VAL 176 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1nku s VAL 177 N -2.03 2.52 0.00 1.55 1.01 -0.66 -2.56 120.40 120.23 1nku s VAL 177 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1nku s VAL 177 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1nku s VAL 177 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1nku n GLY 178 N 1.72 0.31 0.00 4.51 0.00 -1.26 -4.90 105.19 105.57 1nku n GLY 178 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1nku n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nku s TYR 182 N -4.32 3.39 0.00 0.00 5.04 -1.26 -5.08 117.35 115.13 1nku s TYR 182 Ca -0.04 -3.26 0.00 0.00 -2.44 0.00 0.00 57.07 51.33 1nku s TYR 182 Cb 0.14 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.67 1nku s TYR 182 CO 0.53 -0.64 0.00 -2.30 -1.34 0.00 0.00 175.55 171.80 1nku n PRO 183 N 2.52 2.78 -0.01 4.97 -0.02 -1.25 -4.31 135.00 139.68 1nku n PRO 183 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1nku n PRO 183 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 1nku n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nku n GLY 184 N 0.46 0.22 1.01 -1.23 0.00 -1.26 -4.86 105.19 99.54 1nku n GLY 184 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.94 -4.94 1.61 6.94 -1.26 -5.08 115.26 113.48 1nku n ASN 185 Ca 0.00 -2.35 -0.26 0.00 -0.02 0.00 0.00 54.58 51.94 1nku n ASN 185 Cb 0.00 -0.32 -0.03 0.00 -2.36 0.00 0.00 39.78 37.07 1nku n ASN 185 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1nku s LYS 186 N -0.67 3.49 0.00 -3.83 -2.85 -1.26 -5.11 119.74 109.50 1nku s LYS 186 Ca 0.26 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 1nku s LYS 186 Cb 0.28 -2.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 1nku s LYS 186 CO -0.10 0.42 0.02 -2.30 0.10 0.00 0.00 175.35 173.49