#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nku s GLU 2 N 0.00 3.95 0.45 3.17 -1.05 -1.26 -5.09 118.70 118.87 1nku s GLU 2 Ca 0.00 0.52 0.07 0.00 -0.15 0.00 0.00 54.97 55.41 1nku s GLU 2 Cb 0.00 -2.62 -0.01 0.00 -0.44 0.00 0.00 34.13 31.06 1nku s GLU 2 CO 0.00 0.28 0.35 1.03 0.95 0.00 0.00 175.26 177.87 1nku s ARG 3 N -2.70 2.40 0.58 -4.83 3.00 -1.26 -4.61 118.95 111.54 1nku s ARG 3 Ca 0.49 -1.71 -0.18 0.00 0.00 0.00 0.00 55.73 54.32 1nku s ARG 3 Cb -0.12 -2.24 -0.04 0.00 0.00 0.00 0.00 34.95 32.56 1nku s ARG 3 CO 0.19 -0.28 1.14 0.00 0.00 0.00 0.00 175.30 176.35 1nku h GLY 5 N 0.85 0.59 0.29 0.00 0.00 -1.94 0.10 103.07 102.96 1nku h GLY 5 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1nku h GLY 5 CO 0.56 0.15 -0.06 0.79 0.00 0.00 0.00 176.54 177.98 1nku n TRP 6 N -4.47 0.00 -3.30 5.60 7.02 -1.26 -4.81 117.44 116.21 1nku n TRP 6 Ca 0.07 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.16 1nku n TRP 6 Cb 0.22 -0.06 -0.06 0.00 -2.42 0.00 0.00 31.31 28.99 1nku n TRP 6 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1nku s VAL 7 N -2.18 5.17 -0.30 -0.99 1.01 0.35 -5.00 120.40 118.46 1nku s VAL 7 Ca 0.36 0.94 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 1nku s VAL 7 Cb 0.21 -3.82 0.16 0.00 0.00 0.00 0.00 36.38 32.93 1nku s VAL 7 CO 0.40 0.29 0.97 -0.94 0.00 0.00 0.00 175.10 175.82 1nku s SER 8 N 0.76 -0.60 0.00 3.32 1.04 -1.26 -4.70 113.70 112.25 1nku s SER 8 Ca 0.25 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1nku s SER 8 Cb -0.15 1.68 0.00 0.00 0.10 0.00 0.00 66.02 67.65 1nku s SER 8 CO 0.10 -0.12 0.00 0.00 0.98 0.00 0.00 173.24 174.20 1nku n GLN 9 N 5.00 0.00 -3.51 4.02 1.13 -1.26 -4.82 117.38 117.95 1nku n GLN 9 Ca -0.09 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.72 1nku n GLN 9 Cb 0.52 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.89 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 -3.74 -5.76 0.03 1.08 8.00 -1.26 -4.67 116.55 110.23 1nku n ASP 10 Ca 0.00 -0.41 0.22 0.00 0.71 0.00 0.00 54.79 55.31 1nku n ASP 10 Cb 0.00 -2.49 0.73 0.00 -0.02 0.00 0.00 41.12 39.34 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 0.90 0.00 -0.67 -0.24 0.11 -2.01 -1.13 132.00 128.97 1nku h PRO 11 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1nku h PRO 11 Cb 1.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 1nku h PRO 11 CO 0.29 0.00 0.24 1.25 -0.21 0.00 0.00 178.00 179.57 1nku h LEU 12 N 0.00 0.96 -0.25 2.35 5.85 -1.99 -1.69 115.31 120.54 1nku h LEU 12 Ca 0.25 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1nku h LEU 12 Cb 1.18 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1nku h LEU 12 CO -0.00 0.89 0.06 0.22 -0.34 0.00 0.00 178.44 179.27 1nku h TYR 13 N 0.97 0.43 -0.45 1.25 3.20 -1.50 -2.70 116.97 118.16 1nku h TYR 13 Ca 0.22 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1nku h TYR 13 Cb 0.26 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1nku h TYR 13 CO 0.02 0.50 0.22 0.82 -1.64 0.00 0.00 178.16 178.07 1nku h ILE 14 N 0.23 1.15 -0.80 1.81 2.04 -1.51 -0.37 117.51 120.07 1nku h ILE 14 Ca 0.08 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1nku h ILE 14 Cb 0.29 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1nku h ILE 14 CO 0.00 0.18 0.53 0.00 0.00 0.00 0.00 178.15 178.86 1nku h ALA 15 N 1.62 1.02 -0.36 1.87 0.00 -1.00 -0.90 119.26 121.50 1nku h ALA 15 Ca 0.16 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1nku h ALA 15 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1nku h ALA 15 CO -0.02 0.42 -0.21 -0.92 0.00 0.00 0.00 179.25 178.51 1nku h TYR 16 N 1.08 0.78 -0.66 0.00 3.20 -0.97 0.68 116.97 121.07 1nku h TYR 16 Ca 0.30 -0.17 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1nku h TYR 16 Cb -0.12 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 37.92 1nku h TYR 16 CO -0.02 0.85 0.40 1.25 -1.64 0.00 0.00 178.16 178.99 1nku h HIS 17 N 0.61 0.74 0.00 -3.82 2.76 0.21 -1.59 115.15 114.05 1nku h HIS 17 Ca 0.09 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 1nku h HIS 17 Cb 0.69 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1nku h HIS 17 CO 0.03 0.39 -0.93 -0.44 -1.30 0.00 0.00 177.93 175.68 1nku h ASP 18 N 0.76 0.00 0.00 3.26 3.32 -1.13 -3.39 116.42 119.24 1nku h ASP 18 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1nku h ASP 18 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1nku h ASP 18 CO -0.14 0.27 0.00 0.59 -1.72 0.00 0.00 179.24 178.25 1nku n ASN 19 N -2.89 0.00 -3.67 6.45 3.02 0.22 -4.88 115.26 113.50 1nku n ASN 19 Ca -0.02 0.31 -0.28 0.00 -0.03 0.00 0.00 54.58 54.56 1nku n ASN 19 Cb 0.67 -0.32 -0.16 0.00 -0.61 0.00 0.00 39.78 39.37 1nku n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1nku s GLU 20 N -0.63 0.47 -0.30 3.52 0.41 -0.63 -5.00 118.70 116.53 1nku s GLU 20 Ca 0.00 -0.51 -0.12 0.00 -0.41 0.00 0.00 54.97 53.94 1nku s GLU 20 Cb 0.00 -1.85 0.18 0.00 -1.78 0.00 0.00 34.13 30.68 1nku s GLU 20 CO 0.00 -0.79 1.07 -0.46 -0.49 0.00 0.00 175.26 174.59 1nku s TRP 21 N 1.91 -0.40 0.00 1.61 -0.00 -1.24 -4.68 118.94 116.14 1nku s TRP 21 Ca 0.04 0.22 0.00 0.00 -0.00 0.00 0.00 56.10 56.35 1nku s TRP 21 Cb -0.17 0.07 0.00 0.00 -0.00 0.00 0.00 33.47 33.37 1nku s TRP 21 CO -0.17 -0.23 0.00 0.41 -0.00 0.00 0.00 176.95 176.96 1nku n GLY 22 N 4.96 2.08 3.72 5.86 0.00 -0.91 -4.93 105.19 115.97 1nku n GLY 22 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1nku n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nku s VAL 23 N -2.59 4.42 0.07 1.61 0.11 -1.26 -4.46 120.40 118.29 1nku s VAL 23 Ca 0.00 1.93 -0.37 0.00 -2.93 0.00 0.00 61.98 60.60 1nku s VAL 23 Cb 0.00 -4.23 -0.17 0.00 -1.53 0.00 0.00 36.38 30.45 1nku s VAL 23 CO 0.00 0.25 1.30 -2.65 -3.33 0.00 0.00 175.10 170.68 1nku n PRO 24 N 3.07 0.97 -4.90 1.54 -0.02 -1.26 -4.03 135.00 130.38 1nku n PRO 24 Ca 0.04 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 1nku n PRO 24 Cb 0.49 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.85 1nku n PRO 24 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1nku s GLU 25 N 0.43 3.21 0.00 -0.52 0.41 0.14 -4.94 118.70 117.43 1nku s GLU 25 Ca 0.86 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 54.68 1nku s GLU 25 Cb -1.00 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 28.83 1nku s GLU 25 CO 0.48 0.25 0.61 0.25 -0.49 0.00 0.00 175.26 176.36 1nku n THR 26 N 3.40 0.31 -2.88 3.63 -2.24 -1.26 -4.94 114.28 110.29 1nku n THR 26 Ca -0.18 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 60.58 1nku n THR 26 Cb 0.53 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.31 6.46 0.36 3.42 1.01 -1.26 -4.89 116.67 121.46 1nku s ASP 27 Ca 0.00 0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.34 1nku s ASP 27 Cb 0.00 -2.42 0.68 0.00 1.01 0.00 0.00 42.92 42.19 1nku s ASP 27 CO 0.00 -1.00 1.90 0.77 0.21 0.00 0.00 175.17 177.05 1nku h SER 28 N 9.05 0.40 -0.06 0.27 4.64 -1.97 0.18 113.55 126.04 1nku h SER 28 Ca -0.24 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1nku h SER 28 Cb 1.08 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1nku h SER 28 CO 1.00 0.49 0.02 0.11 -0.87 0.00 0.00 176.83 177.58 1nku h LYS 29 N 0.41 0.10 -0.12 4.77 1.57 -1.99 0.11 116.57 121.42 1nku h LYS 29 Ca 0.09 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1nku h LYS 29 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1nku h LYS 29 CO 0.01 0.27 -0.28 -0.22 -0.57 0.00 0.00 179.45 178.66 1nku h LYS 30 N -0.10 0.41 -0.51 3.15 3.64 -1.92 -2.55 116.57 118.69 1nku h LYS 30 Ca 0.02 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1nku h LYS 30 Cb 0.22 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1nku h LYS 30 CO -0.00 0.88 0.28 1.25 -2.27 0.00 0.00 179.45 179.59 1nku h LEU 31 N -0.01 0.42 -0.83 5.20 5.85 -0.64 -1.80 115.31 123.49 1nku h LEU 31 Ca -0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1nku h LEU 31 Cb 0.89 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 1nku h LEU 31 CO 0.06 0.29 0.46 0.15 -0.34 0.00 0.00 178.44 179.07 1nku h PHE 32 N 0.55 1.14 -0.27 1.25 3.57 -0.78 -1.95 116.94 120.44 1nku h PHE 32 Ca 0.22 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1nku h PHE 32 Cb 0.08 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1nku h PHE 32 CO -0.09 0.79 0.07 1.49 -2.23 0.00 0.00 178.31 178.35 1nku h GLU 33 N 1.16 0.39 0.07 1.11 4.81 -0.92 -2.29 114.58 118.90 1nku h GLU 33 Ca 0.29 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1nku h GLU 33 Cb 0.03 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1nku h GLU 33 CO -0.05 0.36 -0.03 1.98 -0.73 0.00 0.00 179.01 180.54 1nku h MET 34 N 0.39 -0.09 -0.21 1.92 4.05 -0.56 -2.48 114.93 117.95 1nku h MET 34 Ca 0.09 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.44 1nku h MET 34 Cb 0.14 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1nku h MET 34 CO -0.01 0.14 -0.20 0.97 0.23 0.00 0.00 176.91 178.05 1nku h ILE 35 N -0.31 1.24 0.09 1.77 6.09 -1.35 0.21 117.51 125.24 1nku h ILE 35 Ca -0.01 -1.10 -0.00 0.00 -1.37 0.00 0.00 64.86 62.38 1nku h ILE 35 Cb 0.27 1.30 0.00 0.00 0.47 0.00 0.00 36.82 38.87 1nku h ILE 35 CO 0.02 0.34 -0.04 0.00 -3.07 0.00 0.00 178.15 175.40 1nku h LEU 37 N -0.40 0.76 -1.51 0.00 4.07 -1.41 -3.21 115.31 113.62 1nku h LEU 37 Ca -0.01 -0.58 0.12 0.00 0.08 0.00 0.00 57.88 57.49 1nku h LEU 37 Cb 0.34 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.79 1nku h LEU 37 CO 0.02 1.38 0.49 -0.08 -1.08 0.00 0.00 178.44 179.17 1nku h GLU 38 N 0.36 0.50 -0.69 1.13 4.57 -0.60 0.89 114.58 120.74 1nku h GLU 38 Ca -0.09 -0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.19 1nku h GLU 38 Cb 1.57 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 30.01 1nku h GLU 38 CO 0.18 0.33 0.46 0.78 -1.18 0.00 0.00 179.01 179.58 1nku h GLY 39 N 0.52 0.59 1.50 1.92 0.00 -1.47 0.15 103.07 106.27 1nku h GLY 39 Ca 0.36 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.56 1nku h GLY 39 CO -0.12 0.07 0.28 -1.61 0.00 0.00 0.00 176.54 175.15 1nku h GLN 40 N 0.37 0.46 -0.30 4.80 5.75 -0.97 -1.71 115.11 123.51 1nku h GLN 40 Ca 0.33 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.89 1nku h GLN 40 Cb 0.78 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1nku h GLN 40 CO -0.09 0.30 0.79 -0.56 -2.65 0.00 0.00 178.83 176.62 1nku h GLN 41 N 0.47 0.00 -6.00 1.69 3.07 -0.79 -3.41 115.11 110.15 1nku h GLN 41 Ca 0.17 0.00 -0.76 0.00 0.09 0.00 0.00 58.65 58.15 1nku h GLN 41 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.61 1nku h GLN 41 CO -0.04 0.00 1.32 0.00 0.09 0.00 0.00 178.83 180.20 1nku n ALA 42 N -1.90 0.32 0.00 0.06 0.00 -0.64 0.30 120.51 118.64 1nku n ALA 42 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1nku n ALA 42 Cb 0.90 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 7.30 2.84 3.73 0.00 0.00 -1.26 -5.00 105.19 112.79 1nku n GLY 43 Ca 0.53 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 3.64 0.78 0.99 1.43 0.89 -5.10 118.68 121.31 1nku s LEU 44 Ca 0.00 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 1nku s LEU 44 Cb 0.00 -2.33 0.06 0.00 0.03 0.00 0.00 46.19 43.95 1nku s LEU 44 CO 0.00 0.18 1.08 -0.94 0.23 0.00 0.00 176.35 176.90 1nku s SER 45 N -2.32 4.54 0.47 2.29 1.04 -1.26 -4.54 113.70 113.91 1nku s SER 45 Ca 0.27 1.57 0.19 0.00 0.48 0.00 0.00 55.95 58.46 1nku s SER 45 Cb -0.12 -2.32 1.17 0.00 0.10 0.00 0.00 66.02 64.85 1nku s SER 45 CO 0.20 -1.98 2.02 4.11 0.98 0.00 0.00 173.24 178.57 1nku h TRP 46 N -1.09 0.00 -0.85 5.02 0.09 -1.97 -2.65 115.95 114.50 1nku h TRP 46 Ca -0.46 0.00 0.03 0.00 0.09 0.00 0.00 58.89 58.56 1nku h TRP 46 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.44 1nku h TRP 46 CO 0.53 0.16 0.56 0.97 0.09 0.00 0.00 178.44 180.75 1nku h ILE 47 N 0.00 1.14 -0.25 0.12 -0.00 -2.01 -1.77 117.51 114.73 1nku h ILE 47 Ca -0.00 -0.36 -0.13 0.00 -0.00 0.00 0.00 64.86 64.37 1nku h ILE 47 Cb 0.32 -0.01 -0.01 0.00 -0.00 0.00 0.00 36.82 37.13 1nku h ILE 47 CO 0.02 0.19 -0.38 0.74 -0.00 0.00 0.00 178.15 178.73 1nku h THR 48 N 1.06 1.29 -0.97 2.19 2.02 -1.84 -3.13 112.91 113.53 1nku h THR 48 Ca 0.34 -1.52 0.01 0.00 0.77 0.00 0.00 66.41 66.00 1nku h THR 48 Cb 0.03 1.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 1nku h THR 48 CO -0.10 0.48 0.64 0.58 0.37 0.00 0.00 175.52 177.50 1nku h VAL 49 N 0.48 1.25 -0.01 3.16 2.07 -1.35 -1.20 116.25 120.66 1nku h VAL 49 Ca 0.05 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1nku h VAL 49 Cb 0.87 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1nku h VAL 49 CO 0.07 0.24 -0.20 -0.07 0.02 0.00 0.00 177.57 177.63 1nku h LEU 50 N 1.32 -0.60 -0.42 2.57 3.38 -1.45 1.59 115.31 121.70 1nku h LEU 50 Ca 0.36 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1nku h LEU 50 Cb -0.15 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1nku h LEU 50 CO -0.08 -0.27 0.22 0.50 0.09 0.00 0.00 178.44 178.91 1nku h LYS 51 N -0.32 0.59 -0.47 1.13 3.64 -1.61 -1.99 116.57 117.55 1nku h LYS 51 Ca 0.06 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1nku h LYS 51 Cb 0.40 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1nku h LYS 51 CO -0.20 0.49 0.15 -0.22 -2.27 0.00 0.00 179.45 177.40 1nku h LYS 52 N 0.54 0.68 -0.88 1.90 1.63 -0.53 -2.05 116.57 117.87 1nku h LYS 52 Ca 0.15 -0.11 0.14 0.00 -0.85 0.00 0.00 60.65 59.98 1nku h LYS 52 Cb 0.07 -0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 31.49 1nku h LYS 52 CO -0.02 0.59 0.49 -0.09 -3.45 0.00 0.00 179.45 176.97 1nku h ARG 53 N 0.67 0.69 -0.67 1.90 2.43 0.31 0.64 114.38 120.36 1nku h ARG 53 Ca 0.16 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1nku h ARG 53 Cb 0.19 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1nku h ARG 53 CO -0.01 0.46 0.14 0.93 -1.51 0.00 0.00 179.97 179.98 1nku h GLU 54 N 0.72 1.07 -0.42 0.20 4.39 -1.21 -1.96 114.58 117.36 1nku h GLU 54 Ca 0.47 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.85 1nku h GLU 54 Cb 0.60 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1nku h GLU 54 CO -0.33 0.96 0.02 -0.91 -1.16 0.00 0.00 179.01 177.59 1nku h ASN 55 N 1.01 0.63 -0.50 1.42 2.35 0.06 -2.53 115.58 118.01 1nku h ASN 55 Ca 0.21 -0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1nku h ASN 55 Cb 0.38 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1nku h ASN 55 CO 0.01 0.68 0.24 1.88 -1.65 0.00 0.00 177.43 178.59 1nku h TYR 56 N 0.63 0.43 -0.33 1.19 -1.99 0.80 0.30 116.97 118.01 1nku h TYR 56 Ca 0.13 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 1nku h TYR 56 Cb 0.37 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 1nku h TYR 56 CO 0.02 0.20 0.19 0.00 -0.00 0.00 0.00 178.16 178.56 1nku h ARG 57 N 0.46 0.44 -0.35 4.88 3.08 -1.20 1.91 114.38 123.60 1nku h ARG 57 Ca 0.23 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.29 1nku h ARG 57 Cb 0.16 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1nku h ARG 57 CO -0.18 0.32 0.10 0.00 -1.07 0.00 0.00 179.97 179.14 1nku h ALA 58 N 1.76 0.39 0.00 0.04 0.00 -0.69 1.43 119.26 122.19 1nku h ALA 58 Ca 0.12 0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 1nku h ALA 58 Cb -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1nku h ALA 58 CO -0.02 -0.30 -1.81 0.00 0.00 0.00 0.00 179.25 177.12 1nku n PHE 60 N -2.90 1.05 -0.23 0.00 3.01 0.64 -4.70 117.46 114.34 1nku n PHE 60 Ca -0.18 -1.56 0.31 0.00 1.01 0.00 0.00 57.45 57.03 1nku n PHE 60 Cb 1.00 -0.48 0.73 0.00 -0.01 0.00 0.00 39.48 40.73 1nku n PHE 60 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1nku h HIS 61 N 1.03 0.00 -0.17 1.38 2.76 0.19 1.67 115.15 122.01 1nku h HIS 61 Ca 0.21 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1nku h HIS 61 Cb 1.63 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.59 1nku h HIS 61 CO 1.00 0.00 0.00 1.04 -1.30 0.00 0.00 177.93 178.67 1nku n GLN 62 N -4.13 2.15 0.00 5.26 1.13 -1.26 -4.54 117.38 115.99 1nku n GLN 62 Ca 0.21 -0.93 0.00 0.00 -1.94 0.00 0.00 57.00 54.34 1nku n GLN 62 Cb 1.10 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 29.72 1nku n GLN 62 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1nku n PHE 63 N 0.18 0.00 -1.63 1.08 7.35 0.57 -4.38 117.46 120.63 1nku n PHE 63 Ca 0.08 0.00 -0.48 0.00 -0.76 0.00 0.00 57.45 56.29 1nku n PHE 63 Cb 0.53 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 1nku n PHE 63 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1nku n ASP 64 N 0.24 2.27 -0.27 -2.13 2.03 -1.26 -4.63 116.55 112.79 1nku n ASP 64 Ca 0.00 1.12 -0.03 0.00 0.52 0.00 0.00 54.79 56.40 1nku n ASP 64 Cb 0.00 -1.32 0.03 0.00 -0.72 0.00 0.00 41.12 39.10 1nku n ASP 64 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nku h PRO 65 N 4.57 -0.09 -0.52 -0.67 0.11 -2.00 0.41 132.00 133.82 1nku h PRO 65 Ca -0.45 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1nku h PRO 65 Cb 1.30 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1nku h PRO 65 CO 0.78 -0.06 -0.02 0.28 -0.21 0.00 0.00 178.00 178.77 1nku h VAL 66 N -0.09 1.27 -0.69 3.15 2.07 -1.95 -2.63 116.25 117.38 1nku h VAL 66 Ca 0.29 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1nku h VAL 66 Cb 0.57 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1nku h VAL 66 CO -0.80 0.40 0.34 0.50 0.02 0.00 0.00 177.57 178.03 1nku h LYS 67 N 0.79 0.99 -0.48 1.57 1.63 -1.30 0.27 116.57 120.04 1nku h LYS 67 Ca 0.14 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1nku h LYS 67 Cb 0.56 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1nku h LYS 67 CO 0.03 0.78 0.14 0.28 -3.45 0.00 0.00 179.45 177.23 1nku h VAL 68 N 0.96 1.23 0.00 2.00 2.07 -0.15 -1.51 116.25 120.86 1nku h VAL 68 Ca 0.24 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1nku h VAL 68 Cb 0.10 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1nku h VAL 68 CO -0.03 0.28 -0.51 0.00 0.02 0.00 0.00 177.57 177.33 1nku h ALA 69 N 1.00 1.12 0.00 1.67 0.00 -1.27 -2.09 119.26 119.69 1nku h ALA 69 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nku h ALA 69 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nku h ALA 69 CO -0.00 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.88 1nku n ALA 70 N -2.42 2.58 -0.63 0.00 0.00 0.07 -4.88 120.51 115.23 1nku n ALA 70 Ca -0.01 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1nku n ALA 70 Cb 0.53 -1.50 0.18 0.00 0.00 0.00 0.00 19.45 18.66 1nku n ALA 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nku n MET 71 N -1.11 -1.89 -4.46 0.00 2.81 -0.61 -5.02 117.12 106.85 1nku n MET 71 Ca 0.20 -0.54 -0.25 0.00 -1.81 0.00 0.00 57.70 55.30 1nku n MET 71 Cb 0.16 -1.69 -0.11 0.00 -0.71 0.00 0.00 33.22 30.87 1nku n MET 71 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1nku s GLN 72 N -3.54 1.63 0.39 0.03 -0.21 -1.26 -5.02 119.66 111.68 1nku s GLN 72 Ca 0.54 -1.70 0.06 0.00 0.02 0.00 0.00 55.36 54.29 1nku s GLN 72 Cb -0.11 -1.78 0.79 0.00 1.00 0.00 0.00 33.01 32.91 1nku s GLN 72 CO 0.62 0.35 2.02 0.93 -2.12 0.00 0.00 175.29 177.08 1nku h GLU 73 N 2.54 0.55 -0.33 2.91 5.08 -2.01 -0.85 114.58 122.47 1nku h GLU 73 Ca -0.42 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1nku h GLU 73 Cb 1.24 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1nku h GLU 73 CO 0.57 0.41 0.13 0.93 -1.00 0.00 0.00 179.01 180.04 1nku h GLU 74 N 0.56 0.47 -0.97 2.33 4.39 -2.00 -1.73 114.58 117.63 1nku h GLU 74 Ca 0.14 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.81 1nku h GLU 74 Cb 0.02 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 1nku h GLU 74 CO -0.02 0.40 0.64 -0.44 -1.16 0.00 0.00 179.01 178.42 1nku h ASP 75 N 0.47 1.09 -0.37 1.42 3.32 -1.55 0.65 116.42 121.45 1nku h ASP 75 Ca 0.12 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1nku h ASP 75 Cb 0.10 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1nku h ASP 75 CO -0.01 0.77 0.12 0.58 -1.72 0.00 0.00 179.24 178.98 1nku h VAL 76 N 1.28 1.21 -0.27 -1.35 2.07 -1.31 -2.49 116.25 115.39 1nku h VAL 76 Ca 0.37 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1nku h VAL 76 Cb -0.08 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1nku h VAL 76 CO -0.10 0.24 -0.14 -0.33 0.02 0.00 0.00 177.57 177.26 1nku h GLU 77 N 0.45 0.46 -0.40 1.57 4.39 -1.22 -2.43 114.58 117.39 1nku h GLU 77 Ca 0.12 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1nku h GLU 77 Cb 0.25 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1nku h GLU 77 CO -0.00 0.60 0.25 -0.09 -1.16 0.00 0.00 179.01 178.61 1nku h ARG 78 N 0.43 0.49 0.00 2.33 2.43 -0.47 -2.49 114.38 117.10 1nku h ARG 78 Ca 0.08 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 1nku h ARG 78 Cb 0.51 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1nku h ARG 78 CO 0.03 0.32 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.21 1nku h LEU 79 N 0.50 0.00 -1.16 3.80 3.38 -1.25 -3.03 115.31 117.55 1nku h LEU 79 Ca 0.16 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.33 1nku h LEU 79 Cb -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1nku h LEU 79 CO -0.06 0.53 0.62 0.58 0.09 0.00 0.00 178.44 180.20 1nku h VAL 80 N 0.00 0.68 -0.29 1.22 2.07 -0.96 0.15 116.25 119.12 1nku h VAL 80 Ca -0.01 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1nku h VAL 80 Cb 0.99 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1nku h VAL 80 CO 0.07 0.12 0.03 -0.61 0.02 0.00 0.00 177.57 177.20 1nku h GLN 81 N 0.64 0.50 -4.98 1.57 4.15 -1.56 -3.40 115.11 112.04 1nku h GLN 81 Ca 0.56 -0.14 -0.64 0.00 0.77 0.00 0.00 58.65 59.19 1nku h GLN 81 Cb 1.03 -0.05 -0.16 0.00 0.21 0.00 0.00 27.48 28.51 1nku h GLN 81 CO -0.33 0.62 -0.40 0.34 -1.93 0.00 0.00 178.83 177.14 1nku s ASP 82 N -5.95 6.12 -0.43 -0.69 2.15 0.54 -4.96 116.67 113.45 1nku s ASP 82 Ca -0.13 0.03 0.04 0.00 0.43 0.00 0.00 52.55 52.92 1nku s ASP 82 Cb 0.08 -2.16 0.44 0.00 -0.30 0.00 0.00 42.92 40.98 1nku s ASP 82 CO 0.75 -0.14 1.37 0.00 -0.17 0.00 0.00 175.17 176.99 1nku n ALA 83 N 5.19 5.36 -0.27 3.66 0.00 -1.25 -4.73 120.51 128.46 1nku n ALA 83 Ca -0.12 -3.88 0.33 0.00 0.00 0.00 0.00 53.44 49.78 1nku n ALA 83 Cb 0.51 -0.73 0.73 0.00 0.00 0.00 0.00 19.45 19.96 1nku n ALA 83 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nku h GLY 84 N 2.29 0.00 -1.81 0.00 0.00 -1.93 -3.40 103.07 98.23 1nku h GLY 84 Ca 0.41 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.13 1nku h GLY 84 CO 0.97 0.00 -0.63 -0.26 0.00 0.00 0.00 176.54 176.62 1nku s ILE 85 N -4.86 2.03 -0.73 2.60 -4.36 -1.26 -5.02 121.20 109.59 1nku s ILE 85 Ca -0.05 -2.08 -0.26 0.00 -0.26 0.00 0.00 60.65 58.00 1nku s ILE 85 Cb 0.21 -2.83 -0.13 0.00 1.25 0.00 0.00 42.46 40.96 1nku s ILE 85 CO 0.75 -0.09 2.42 -0.38 0.24 0.00 0.00 174.94 177.88 1nku n ILE 86 N -0.87 -0.02 -4.15 8.37 -0.00 -1.26 -4.90 119.36 116.53 1nku n ILE 86 Ca -0.05 -0.56 -0.30 0.00 -0.00 0.00 0.00 62.75 61.84 1nku n ILE 86 Cb 0.66 -2.15 -0.08 0.00 -0.00 0.00 0.00 39.64 38.07 1nku n ILE 86 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1nku s ARG 87 N 8.81 2.58 -0.12 0.38 0.52 -1.26 -4.99 118.95 124.87 1nku s ARG 87 Ca 0.94 -0.81 0.17 0.00 -0.52 0.00 0.00 55.73 55.51 1nku s ARG 87 Cb -0.14 -2.56 0.34 0.00 0.52 0.00 0.00 34.95 33.11 1nku s ARG 87 CO 0.12 0.55 1.18 1.58 0.02 0.00 0.00 175.30 178.75 1nku n HIS 88 N 0.67 -0.05 0.00 -0.53 -0.00 -1.26 -5.02 115.22 109.03 1nku n HIS 88 Ca -0.11 -1.09 0.00 0.00 0.46 0.00 0.00 57.72 56.97 1nku n HIS 88 Cb 0.52 0.28 0.00 0.00 -0.12 0.00 0.00 29.99 30.67 1nku n HIS 88 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1nku n ARG 89 N -0.23 0.00 -0.34 1.57 0.63 -1.26 -3.72 116.66 113.31 1nku n ARG 89 Ca -0.06 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.84 1nku n ARG 89 Cb 0.91 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.92 1nku n ARG 89 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1nku h GLY 90 N 0.00 1.28 1.08 5.14 0.00 -2.00 -2.01 103.07 106.56 1nku h GLY 90 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1nku h GLY 90 CO 0.00 0.46 0.55 0.50 0.00 0.00 0.00 176.54 178.05 1nku h LYS 91 N 1.22 1.22 -0.87 4.80 1.79 -1.96 -1.73 116.57 121.05 1nku h LYS 91 Ca 0.33 -0.11 0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1nku h LYS 91 Cb -0.13 -0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 30.22 1nku h LYS 91 CO -0.08 0.85 0.57 0.82 -1.08 0.00 0.00 179.45 180.53 1nku h ILE 92 N 1.24 1.23 -0.51 1.86 2.04 -1.68 -0.62 117.51 121.07 1nku h ILE 92 Ca 0.32 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1nku h ILE 92 Cb -0.06 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 35.95 1nku h ILE 92 CO -0.06 0.22 0.34 1.56 0.00 0.00 0.00 178.15 180.21 1nku h GLN 93 N 1.18 0.60 -0.93 2.37 1.08 -0.99 -0.98 115.11 117.44 1nku h GLN 93 Ca 0.32 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1nku h GLN 93 Cb -0.12 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.13 1nku h GLN 93 CO -0.07 0.40 0.62 0.00 -0.95 0.00 0.00 178.83 178.83 1nku h ALA 94 N 1.70 1.18 -0.23 3.87 0.00 -0.64 0.13 119.26 125.27 1nku h ALA 94 Ca 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nku h ALA 94 Cb 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1nku h ALA 94 CO -0.05 0.58 0.13 0.82 0.00 0.00 0.00 179.25 180.73 1nku h ILE 95 N 1.26 1.02 -0.02 0.00 2.04 -0.94 0.42 117.51 121.28 1nku h ILE 95 Ca 0.34 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1nku h ILE 95 Cb -0.14 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1nku h ILE 95 CO -0.07 0.05 0.02 0.40 0.00 0.00 0.00 178.15 178.54 1nku h ILE 96 N 0.27 1.03 -0.94 -0.67 5.03 -1.15 -1.71 117.51 119.36 1nku h ILE 96 Ca 0.09 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 64.76 1nku h ILE 96 Cb -0.00 1.03 -0.05 0.00 -3.03 0.00 0.00 36.82 34.78 1nku h ILE 96 CO -0.04 0.02 0.60 1.23 -0.68 0.00 0.00 178.15 179.28 1nku h GLY 97 N 0.01 1.34 0.94 5.37 0.00 -0.67 -1.31 103.07 108.75 1nku h GLY 97 Ca 0.01 -0.52 0.04 0.00 0.00 0.00 0.00 47.33 46.85 1nku h GLY 97 CO -0.00 0.51 0.63 3.43 0.00 0.00 0.00 176.54 181.10 1nku h ASN 98 N 1.29 1.04 -0.21 0.19 -0.26 0.31 0.35 115.58 118.29 1nku h ASN 98 Ca 0.34 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 56.01 1nku h ASN 98 Cb -0.12 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 36.90 1nku h ASN 98 CO -0.07 0.71 -0.11 0.00 -1.06 0.00 0.00 177.43 176.90 1nku h ALA 99 N 1.44 0.30 -0.66 -0.83 0.00 -0.39 0.30 119.26 119.43 1nku h ALA 99 Ca 0.38 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1nku h ALA 99 Cb 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1nku h ALA 99 CO -0.12 0.15 0.20 0.00 0.00 0.00 0.00 179.25 179.48 1nku h ARG 100 N 0.15 1.02 -0.37 0.00 3.08 -0.66 0.16 114.38 117.76 1nku h ARG 100 Ca 0.05 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.71 1nku h ARG 100 Cb 0.61 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1nku h ARG 100 CO 0.03 0.90 -0.39 0.00 -1.07 0.00 0.00 179.97 179.44 1nku h ALA 101 N 1.08 0.59 -0.38 0.04 0.00 -0.23 -2.08 119.26 118.28 1nku h ALA 101 Ca 0.21 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1nku h ALA 101 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nku h ALA 101 CO -0.01 0.68 0.12 -0.92 0.00 0.00 0.00 179.25 179.12 1nku h TYR 102 N 0.74 0.61 -0.66 0.00 5.03 -0.06 -2.03 116.97 120.60 1nku h TYR 102 Ca 0.06 -0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 1nku h TYR 102 Cb 0.98 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 39.06 1nku h TYR 102 CO 0.06 0.58 0.29 1.25 -1.32 0.00 0.00 178.16 179.02 1nku h LEU 103 N 0.46 0.88 -0.67 2.82 5.85 -0.61 -2.18 115.31 121.86 1nku h LEU 103 Ca 0.12 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1nku h LEU 103 Cb 0.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1nku h LEU 103 CO -0.00 0.79 0.30 -0.61 -0.34 0.00 0.00 178.44 178.58 1nku h GLN 104 N 0.92 0.98 -0.69 1.25 5.75 -1.20 -2.49 115.11 119.62 1nku h GLN 104 Ca 0.22 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1nku h GLN 104 Cb 0.16 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1nku h GLN 104 CO -0.02 0.79 0.27 1.98 -2.65 0.00 0.00 178.83 179.19 1nku h MET 105 N 0.94 1.02 0.00 1.69 4.05 -1.09 -1.91 114.93 119.63 1nku h MET 105 Ca 0.23 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1nku h MET 105 Cb 0.15 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1nku h MET 105 CO -0.02 0.84 -0.17 1.49 0.23 0.00 0.00 176.91 179.28 1nku h GLU 106 N 1.00 0.00 -0.73 0.39 4.81 -0.97 -1.89 114.58 117.19 1nku h GLU 106 Ca 0.23 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.63 1nku h GLU 106 Cb 0.21 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1nku h GLU 106 CO -0.02 0.17 0.50 1.96 -0.73 0.00 0.00 179.01 180.89 1nku h GLN 107 N 0.00 0.23 0.00 1.92 1.08 -0.98 0.96 115.11 118.32 1nku h GLN 107 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1nku h GLN 107 Cb 0.30 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1nku h GLN 107 CO 0.02 0.15 0.00 -0.97 -0.95 0.00 0.00 178.83 177.09 1nku h ASN 108 N 0.24 0.00 0.00 1.46 -0.00 -1.44 -3.46 115.58 112.38 1nku h ASN 108 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.66 1nku h ASN 108 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 1nku h ASN 108 CO -0.08 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 177.96 1nku n GLY 109 N 0.77 0.46 2.87 1.57 0.00 0.33 -5.00 105.19 106.19 1nku n GLY 109 Ca 0.03 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.21 2.12 0.71 1.61 2.12 -1.26 -5.07 118.70 116.72 1nku s GLU 110 Ca 0.00 -2.92 -0.16 0.00 0.36 0.00 0.00 54.97 52.24 1nku s GLU 110 Cb 0.00 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.23 1nku s GLU 110 CO 0.00 -1.22 1.26 -2.30 -0.54 0.00 0.00 175.26 172.46 1nku n PRO 111 N 2.53 0.75 -0.34 4.30 -0.02 -1.26 -4.71 135.00 136.25 1nku n PRO 111 Ca 0.14 0.32 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1nku n PRO 111 Cb 0.35 -2.50 0.26 0.00 -0.02 0.00 0.00 33.50 31.58 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 -0.03 1.08 -0.52 6.00 -1.00 -1.97 0.71 116.94 121.22 1nku h PHE 112 Ca -0.49 0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.37 1nku h PHE 112 Cb 1.32 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 1nku h PHE 112 CO 0.43 0.47 0.23 0.00 -1.61 0.00 0.00 178.31 177.83 1nku h ALA 113 N 1.53 0.65 -0.22 2.45 0.00 -1.90 0.93 119.26 122.71 1nku h ALA 113 Ca 0.46 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 1nku h ALA 113 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nku h ALA 113 CO -0.22 -0.13 -0.43 0.22 0.00 0.00 0.00 179.25 178.68 1nku h ASP 114 N 0.45 0.57 0.09 0.00 3.58 -1.49 -2.58 116.42 117.04 1nku h ASP 114 Ca 0.24 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1nku h ASP 114 Cb 0.19 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1nku h ASP 114 CO -0.19 0.93 -0.04 0.15 -2.88 0.00 0.00 179.24 177.21 1nku h PHE 115 N 0.44 -0.11 -0.80 0.28 3.57 0.45 -2.22 116.94 118.54 1nku h PHE 115 Ca 0.03 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1nku h PHE 115 Cb 0.93 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1nku h PHE 115 CO 0.04 0.37 0.50 -0.39 -2.23 0.00 0.00 178.31 176.60 1nku h VAL 116 N -0.65 1.07 -0.09 1.41 -1.51 0.78 0.30 116.25 117.57 1nku h VAL 116 Ca -0.01 -0.32 -0.03 0.00 -1.23 0.00 0.00 66.70 65.10 1nku h VAL 116 Cb 0.52 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.72 1nku h VAL 116 CO 0.02 0.17 -0.10 -0.50 -1.23 0.00 0.00 177.57 175.93 1nku h TRP 117 N 0.95 0.14 -0.07 5.19 4.06 -1.48 -1.87 115.95 122.87 1nku h TRP 117 Ca 0.34 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.23 1nku h TRP 117 Cb 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 1nku h TRP 117 CO -0.04 0.25 -0.16 0.66 -3.56 0.00 0.00 178.44 175.59 1nku h SER 118 N 0.14 0.11 -0.93 -3.49 4.64 -0.29 -1.42 113.55 112.31 1nku h SER 118 Ca 0.03 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1nku h SER 118 Cb 0.27 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 1nku h SER 118 CO 0.02 0.29 0.61 -0.26 -0.87 0.00 0.00 176.83 176.61 1nku h PHE 119 N 0.11 1.14 -0.58 4.77 0.04 -1.07 -0.92 116.94 120.43 1nku h PHE 119 Ca 0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1nku h PHE 119 Cb 0.36 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1nku h PHE 119 CO 0.00 0.69 0.00 1.33 -0.60 0.00 0.00 178.31 179.73 1nku n VAL 120 N -4.42 1.49 -3.79 -0.55 0.24 -1.02 -4.91 118.33 105.36 1nku n VAL 120 Ca 0.12 -1.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.13 1nku n VAL 120 Cb 0.07 0.12 0.04 0.00 -1.47 0.00 0.00 33.84 32.60 1nku n VAL 120 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nku n ASN 121 N 1.03 -5.36 -2.98 -1.34 5.03 -0.35 -0.92 115.26 110.37 1nku n ASN 121 Ca 0.22 -0.69 -0.22 0.00 0.87 0.00 0.00 54.58 54.76 1nku n ASN 121 Cb 0.76 -4.26 0.03 0.00 -1.02 0.00 0.00 39.78 35.29 1nku n ASN 121 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1nku n HIS 122 N -4.79 -1.84 -3.91 3.10 8.25 -0.57 -4.94 115.22 110.52 1nku n HIS 122 Ca 0.03 0.45 -0.29 0.00 -0.26 0.00 0.00 57.72 57.65 1nku n HIS 122 Cb 0.54 -4.27 -0.13 0.00 1.12 0.00 0.00 29.99 27.25 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 -5.65 2.05 0.48 -0.41 0.74 -0.10 -5.10 119.66 111.67 1nku s GLN 123 Ca 0.28 -2.78 -0.22 0.00 0.05 0.00 0.00 55.36 52.69 1nku s GLN 123 Cb -0.12 -3.26 -0.10 0.00 1.10 0.00 0.00 33.01 30.63 1nku s GLN 123 CO 0.34 -1.16 0.79 -2.30 -0.55 0.00 0.00 175.29 172.40 1nku n PRO 124 N 2.82 0.91 -4.27 1.67 -0.02 -1.26 -4.90 135.00 129.94 1nku n PRO 124 Ca 0.10 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.63 1nku n PRO 124 Cb 0.33 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.03 2.04 0.09 -0.52 -0.21 -0.64 -5.03 119.66 113.36 1nku s GLN 125 Ca 0.66 -1.19 0.03 0.00 0.02 0.00 0.00 55.36 54.88 1nku s GLN 125 Cb -0.53 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 1nku s GLN 125 CO 0.55 0.46 -0.09 -1.64 -2.12 0.00 0.00 175.29 172.45 1nku s MET 126 N -2.57 0.81 0.22 2.91 -1.94 -1.26 -1.05 119.30 116.41 1nku s MET 126 Ca 0.23 -1.17 0.10 0.00 -1.71 0.00 0.00 55.69 53.15 1nku s MET 126 Cb -0.10 -0.40 -0.05 0.00 2.01 0.00 0.00 34.83 36.29 1nku s MET 126 CO 0.14 0.05 -0.20 -0.08 -0.01 0.00 0.00 175.02 174.92 1nku s THR 127 N -2.68 2.15 -0.43 2.05 -1.32 -1.06 -4.85 115.64 109.51 1nku s THR 127 Ca 0.06 -2.16 0.10 0.00 -1.21 0.00 0.00 61.69 58.48 1nku s THR 127 Cb -0.01 -2.10 0.36 0.00 -1.51 0.00 0.00 72.50 69.24 1nku s THR 127 CO -0.01 -0.35 0.82 1.67 -2.21 0.00 0.00 174.62 174.54 1nku n GLN 128 N -0.14 1.70 -3.48 7.08 7.27 -1.26 -4.79 117.38 123.76 1nku n GLN 128 Ca -0.09 -3.82 -0.37 0.00 0.07 0.00 0.00 57.00 52.78 1nku n GLN 128 Cb 0.58 -1.84 -0.06 0.00 2.41 0.00 0.00 30.24 31.34 1nku n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nku s ALA 129 N -2.82 3.68 0.16 1.69 0.00 -1.26 -4.75 121.76 118.47 1nku s ALA 129 Ca 0.42 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1nku s ALA 129 Cb 0.34 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 21.09 1nku s ALA 129 CO -0.09 0.49 1.43 1.15 0.00 0.00 0.00 175.76 178.74 1nku h THR 130 N 3.43 1.33 -3.76 0.00 2.02 -1.95 -0.03 112.91 113.95 1nku h THR 130 Ca -0.51 -1.96 -0.42 0.00 0.77 0.00 0.00 66.41 64.30 1nku h THR 130 Cb 1.21 1.94 -0.14 0.00 -1.74 0.00 0.00 68.15 69.42 1nku h THR 130 CO 0.63 0.61 -0.57 0.28 0.37 0.00 0.00 175.52 176.84 1nku s THR 131 N -3.81 0.43 0.36 3.16 -1.32 -1.26 -4.63 115.64 108.58 1nku s THR 131 Ca -0.07 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.50 1nku s THR 131 Cb 0.10 -2.53 0.11 0.00 -1.51 0.00 0.00 72.50 68.67 1nku s THR 131 CO 0.86 0.00 1.84 -0.07 -2.21 0.00 0.00 174.62 175.04 1nku h LEU 132 N 2.20 0.17 -1.31 9.08 3.38 -1.89 -2.98 115.31 123.97 1nku h LEU 132 Ca -0.35 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1nku h LEU 132 Cb 1.25 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1nku h LEU 132 CO 0.55 0.44 0.47 0.77 0.09 0.00 0.00 178.44 180.75 1nku h SER 133 N 0.16 0.81 0.37 -0.43 4.64 -1.99 -1.73 113.55 115.38 1nku h SER 133 Ca 0.03 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1nku h SER 133 Cb 0.54 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1nku h SER 133 CO 0.04 0.58 -0.35 -0.33 -0.87 0.00 0.00 176.83 175.90 1nku h GLU 134 N 0.95 0.00 -6.29 4.77 5.08 -1.93 -3.42 114.58 113.74 1nku h GLU 134 Ca 0.26 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.07 1nku h GLU 134 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1nku h GLU 134 CO -0.06 0.35 0.87 0.42 -1.00 0.00 0.00 179.01 179.59 1nku s ILE 135 N -4.20 3.91 0.19 3.13 1.01 -0.65 -4.99 121.20 119.59 1nku s ILE 135 Ca -0.03 1.21 -0.30 0.00 0.00 0.00 0.00 60.65 61.54 1nku s ILE 135 Cb 0.14 -3.78 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 1nku s ILE 135 CO 0.71 -0.05 0.99 -2.16 0.00 0.00 0.00 174.94 174.44 1nku s PRO 136 N 2.92 4.73 0.00 2.79 0.04 -1.26 -4.94 135.00 139.28 1nku s PRO 136 Ca 0.62 1.55 0.24 0.00 0.04 0.00 0.00 61.00 63.45 1nku s PRO 136 Cb -0.28 -3.31 0.26 0.00 0.04 0.00 0.00 34.50 31.21 1nku s PRO 136 CO 0.23 0.30 1.25 2.41 0.04 0.00 0.00 177.00 181.23 1nku n THR 137 N 2.09 0.00 -4.01 1.26 -1.04 -1.26 -4.70 114.28 106.61 1nku n THR 137 Ca 0.00 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.58 1nku n THR 137 Cb 0.47 0.79 -0.15 0.00 -1.82 0.00 0.00 70.33 69.63 1nku n THR 137 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1nku s SER 138 N -2.67 4.71 0.13 8.00 0.15 -1.26 -4.81 113.70 117.96 1nku s SER 138 Ca 0.17 -2.25 0.06 0.00 0.70 0.00 0.00 55.95 54.63 1nku s SER 138 Cb 0.18 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 1nku s SER 138 CO 0.64 -0.36 0.02 0.42 1.20 0.00 0.00 173.24 175.16 1nku s THR 139 N 0.78 4.01 0.36 6.45 -4.23 -1.26 -5.01 115.64 116.73 1nku s THR 139 Ca 0.12 -1.15 0.13 0.00 -1.18 0.00 0.00 61.69 59.61 1nku s THR 139 Cb -0.20 -2.97 0.35 0.00 1.34 0.00 0.00 72.50 71.02 1nku s THR 139 CO -0.07 0.00 1.76 -0.65 -0.54 0.00 0.00 174.62 175.12 1nku h PRO 140 N 3.00 0.51 -0.27 3.99 0.11 -2.00 -0.92 132.00 136.43 1nku h PRO 140 Ca -0.47 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1nku h PRO 140 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1nku h PRO 140 CO 0.60 0.34 -0.38 0.00 -0.21 0.00 0.00 178.00 178.35 1nku h ALA 141 N 1.66 0.41 -0.76 -0.75 0.00 -1.95 -2.75 119.26 115.12 1nku h ALA 141 Ca 0.60 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nku h ALA 141 Cb 1.27 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1nku h ALA 141 CO -0.36 0.50 0.47 0.77 0.00 0.00 0.00 179.25 180.63 1nku h SER 142 N 0.47 0.90 -0.45 0.00 0.02 -1.58 0.60 113.55 113.51 1nku h SER 142 Ca 0.03 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1nku h SER 142 Cb 0.97 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1nku h SER 142 CO 0.09 0.68 0.18 -0.78 -1.14 0.00 0.00 176.83 175.86 1nku h ASP 143 N 1.03 0.62 -0.41 3.07 3.58 -1.40 -1.56 116.42 121.36 1nku h ASP 143 Ca 0.27 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.43 1nku h ASP 143 Cb -0.06 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 1nku h ASP 143 CO -0.05 0.62 -0.20 0.00 -2.88 0.00 0.00 179.24 176.73 1nku h ALA 144 N 1.02 0.78 -0.66 -0.78 0.00 -1.16 -2.86 119.26 115.61 1nku h ALA 144 Ca 0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1nku h ALA 144 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1nku h ALA 144 CO -0.01 0.66 0.20 1.25 0.00 0.00 0.00 179.25 181.34 1nku h LEU 145 N 0.79 0.97 -0.97 0.00 6.46 -0.65 -2.23 115.31 119.67 1nku h LEU 145 Ca 0.11 -0.21 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 1nku h LEU 145 Cb 0.75 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1nku h LEU 145 CO 0.06 0.92 0.21 0.77 -0.62 0.00 0.00 178.44 179.78 1nku h SER 146 N 0.96 0.88 -0.58 1.25 4.64 -1.19 -2.31 113.55 117.20 1nku h SER 146 Ca 0.21 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1nku h SER 146 Cb 0.31 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1nku h SER 146 CO -0.01 0.82 0.10 0.50 -0.87 0.00 0.00 176.83 177.38 1nku h LYS 147 N 0.92 0.99 -0.37 4.77 3.64 -1.25 -2.41 116.57 122.87 1nku h LYS 147 Ca 0.21 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1nku h LYS 147 Cb 0.25 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1nku h LYS 147 CO -0.01 0.91 0.13 0.00 -2.27 0.00 0.00 179.45 178.21 1nku h ALA 148 N 1.17 0.49 -0.71 5.00 0.00 -0.88 -2.45 119.26 121.88 1nku h ALA 148 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1nku h ALA 148 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1nku h ALA 148 CO 0.01 0.11 0.30 -0.07 0.00 0.00 0.00 179.25 179.60 1nku h LEU 149 N 0.46 0.95 -1.01 0.00 3.38 -1.30 -2.20 115.31 115.58 1nku h LEU 149 Ca 0.12 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1nku h LEU 149 Cb 0.22 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1nku h LEU 149 CO -0.01 0.83 0.67 0.50 0.09 0.00 0.00 178.44 180.52 1nku h LYS 150 N 1.02 1.31 -0.88 1.13 3.64 -1.13 -2.08 116.57 119.58 1nku h LYS 150 Ca 0.24 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1nku h LYS 150 Cb 0.17 -0.30 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 1nku h LYS 150 CO -0.02 0.87 0.45 -0.22 -2.27 0.00 0.00 179.45 178.26 1nku h LYS 151 N 1.35 1.24 0.00 1.90 3.64 -0.94 -1.47 116.57 122.29 1nku h LYS 151 Ca 0.37 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1nku h LYS 151 Cb -0.14 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.45 1nku h LYS 151 CO -0.09 0.93 -0.02 0.00 -2.27 0.00 0.00 179.45 178.01 1nku h ARG 152 N 1.24 0.00 0.00 1.90 3.08 -1.14 -3.45 114.38 116.01 1nku h ARG 152 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1nku h ARG 152 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nku h ARG 152 CO -0.04 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.28 1nku n GLY 153 N -0.63 1.28 3.72 0.04 0.00 -0.55 -4.96 105.19 104.09 1nku n GLY 153 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1nku n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nku s PHE 154 N -2.00 3.61 0.52 1.61 0.40 -0.88 -4.99 117.98 116.25 1nku s PHE 154 Ca 0.00 1.32 0.09 0.00 -0.60 0.00 0.00 56.93 57.74 1nku s PHE 154 Cb 0.00 -2.82 0.05 0.00 0.51 0.00 0.00 43.02 40.76 1nku s PHE 154 CO 0.00 0.12 0.67 0.15 0.70 0.00 0.00 175.22 176.86 1nku s LYS 155 N 0.64 2.46 -1.19 0.44 1.02 -1.26 -4.13 119.74 117.71 1nku s LYS 155 Ca 0.39 -1.57 -0.01 0.00 0.02 0.00 0.00 55.97 54.80 1nku s LYS 155 Cb -0.18 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1nku s LYS 155 CO 0.20 -0.63 1.00 1.19 -0.92 0.00 0.00 175.35 176.18 1nku n PHE 156 N -2.04 -2.22 -1.25 3.18 3.72 -1.26 -4.91 117.46 112.68 1nku n PHE 156 Ca 0.11 0.93 0.04 0.00 -0.05 0.00 0.00 57.45 58.48 1nku n PHE 156 Cb 0.61 -5.02 0.21 0.00 -0.94 0.00 0.00 39.48 34.34 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 -4.16 2.30 -0.96 -4.37 0.24 -1.26 -4.81 118.33 105.30 1nku n VAL 157 Ca -0.25 -2.44 -0.35 0.00 -2.04 0.00 0.00 64.34 59.26 1nku n VAL 157 Cb 0.66 -0.27 0.07 0.00 -1.47 0.00 0.00 33.84 32.82 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 -1.00 -3.59 0.31 7.63 0.00 -1.26 -4.38 105.19 102.90 1nku n GLY 158 Ca 0.24 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.67 1nku n GLY 158 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nku h THR 159 N -1.09 0.80 -0.10 2.61 2.02 -1.97 -1.14 112.91 114.05 1nku h THR 159 Ca -0.44 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1nku h THR 159 Cb 1.30 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1nku h THR 159 CO 0.29 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 176.16 1nku h THR 160 N 0.00 1.28 -0.27 3.16 1.03 -1.92 0.23 112.91 116.43 1nku h THR 160 Ca 0.09 -0.92 -0.09 0.00 -0.01 0.00 0.00 66.41 65.48 1nku h THR 160 Cb 0.38 1.70 -0.01 0.00 -1.07 0.00 0.00 68.15 69.15 1nku h THR 160 CO -0.00 0.26 -0.23 0.40 -0.01 0.00 0.00 175.52 175.94 1nku h ILE 161 N -0.13 1.26 -0.19 0.00 2.04 -1.68 -0.93 117.51 117.87 1nku h ILE 161 Ca 0.03 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 1nku h ILE 161 Cb 0.42 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1nku h ILE 161 CO 0.01 0.39 -0.16 0.00 0.00 0.00 0.00 178.15 178.39 1nku h TYR 163 N 0.12 0.80 -1.00 0.00 3.20 -0.34 -1.63 116.97 118.11 1nku h TYR 163 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1nku h TYR 163 Cb 0.69 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1nku h TYR 163 CO 0.08 0.56 0.66 1.03 -1.64 0.00 0.00 178.16 178.85 1nku h SER 164 N 0.80 1.14 -0.92 -2.11 0.87 -1.10 -1.41 113.55 110.80 1nku h SER 164 Ca 0.21 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1nku h SER 164 Cb 0.02 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 1nku h SER 164 CO -0.04 0.81 0.53 0.15 -0.53 0.00 0.00 176.83 177.76 1nku h PHE 165 N 1.34 1.25 -0.81 2.24 3.04 -0.56 -1.86 116.94 121.58 1nku h PHE 165 Ca 0.38 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.28 1nku h PHE 165 Cb -0.12 -0.40 -0.04 0.00 2.56 0.00 0.00 35.95 37.95 1nku h PHE 165 CO -0.00 0.85 0.39 0.52 -2.02 0.00 0.00 178.31 178.04 1nku h MET 166 N 1.29 1.17 -0.56 1.11 2.86 -0.38 0.56 114.93 120.98 1nku h MET 166 Ca 0.33 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1nku h MET 166 Cb -0.01 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.41 1nku h MET 166 CO -0.06 0.90 0.27 1.96 1.06 0.00 0.00 176.91 181.04 1nku h GLN 167 N 1.16 0.80 -0.02 1.72 4.20 -0.74 -1.04 115.11 121.19 1nku h GLN 167 Ca 0.28 -0.12 -0.24 0.00 0.06 0.00 0.00 58.65 58.63 1nku h GLN 167 Cb 0.12 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.77 1nku h GLN 167 CO -0.03 0.66 -0.96 0.00 -0.67 0.00 0.00 178.83 177.82 1nku h ALA 168 N 1.10 0.26 -0.73 3.87 0.00 -0.92 -2.42 119.26 120.42 1nku h ALA 168 Ca 0.19 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1nku h ALA 168 Cb 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1nku h ALA 168 CO -0.02 0.73 0.42 0.00 0.00 0.00 0.00 179.25 180.38 1nku n GLY 170 N -1.27 0.70 0.35 0.00 0.00 -0.41 0.27 105.19 104.82 1nku n GLY 170 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 0.52 -8.26 0.99 3.38 -1.85 -3.39 115.31 106.70 1nku h LEU 171 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.49 1nku h LEU 171 Cb 0.00 -0.11 -0.28 0.00 0.09 0.00 0.00 40.66 40.36 1nku h LEU 171 CO 0.00 0.33 -0.81 0.54 0.09 0.00 0.00 178.44 178.59 1nku s VAL 172 N -5.53 1.16 -0.55 1.22 0.11 -1.26 -1.62 120.40 113.93 1nku s VAL 172 Ca -0.09 -0.73 -0.21 0.00 -2.93 0.00 0.00 61.98 58.02 1nku s VAL 172 Cb 0.19 -0.99 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 1nku s VAL 172 CO 0.76 0.25 0.76 0.21 -3.33 0.00 0.00 175.10 173.74 1nku s ASN 173 N -0.56 6.24 -0.63 3.54 2.47 -0.22 -4.72 114.94 121.06 1nku s ASN 173 Ca 0.05 -0.84 -0.05 0.00 0.42 0.00 0.00 52.86 52.43 1nku s ASN 173 Cb -0.06 -2.34 0.16 0.00 -1.45 0.00 0.00 41.25 37.56 1nku s ASN 173 CO -0.00 -1.07 0.47 1.51 -3.72 0.00 0.00 177.10 174.29 1nku s ASP 174 N 2.97 5.51 0.00 -4.21 -4.77 -1.26 -2.56 116.67 112.35 1nku s ASP 174 Ca 0.19 -2.71 0.00 0.00 -3.30 0.00 0.00 52.55 46.73 1nku s ASP 174 Cb -0.18 -1.92 0.00 0.00 -1.09 0.00 0.00 42.92 39.73 1nku s ASP 174 CO 0.13 -0.43 0.00 1.41 0.70 0.00 0.00 175.17 176.97 1nku n HIS 175 N 3.73 0.00 -3.97 2.11 8.25 -1.26 -5.03 115.22 119.04 1nku n HIS 175 Ca 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 1nku n HIS 175 Cb 0.40 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.41 1nku n HIS 175 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nku s VAL 176 N 2.78 0.14 0.44 1.59 0.11 -1.26 -4.66 120.40 119.54 1nku s VAL 176 Ca 0.00 -1.17 0.28 0.00 -2.93 0.00 0.00 61.98 58.16 1nku s VAL 176 Cb 0.00 -0.82 0.48 0.00 -1.53 0.00 0.00 36.38 34.51 1nku s VAL 176 CO 0.00 -0.64 1.70 1.62 -3.33 0.00 0.00 175.10 174.44 1nku h VAL 177 N 3.87 0.29 -2.80 2.04 3.04 -1.25 -3.01 116.25 118.43 1nku h VAL 177 Ca -0.33 -0.06 -0.61 0.00 -1.01 0.00 0.00 66.70 64.70 1nku h VAL 177 Cb 1.18 0.10 -0.40 0.00 -2.01 0.00 0.00 31.29 30.16 1nku h VAL 177 CO 0.50 0.03 -0.74 -0.83 -1.01 0.00 0.00 177.57 175.52 1nku s GLY 178 N -4.04 2.14 0.19 3.17 0.00 -1.26 -4.62 107.32 102.91 1nku s GLY 178 Ca -0.08 -3.18 0.05 0.00 0.00 0.00 0.00 44.72 41.52 1nku s GLY 178 CO 0.82 1.53 0.18 0.00 0.00 0.00 0.00 173.10 175.62 1nku s TYR 182 N -3.22 2.96 -0.07 0.00 5.04 -0.80 -4.96 117.35 116.30 1nku s TYR 182 Ca -0.04 -3.06 -0.00 0.00 -2.44 0.00 0.00 57.07 51.53 1nku s TYR 182 Cb 0.09 -2.40 -0.00 0.00 0.35 0.00 0.00 41.96 40.00 1nku s TYR 182 CO 0.85 -0.65 -0.01 -1.00 -1.34 0.00 0.00 175.55 173.40 1nku h PRO 183 N 5.85 0.00 0.00 4.97 0.13 -1.57 0.65 132.00 142.03 1nku h PRO 183 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1nku h PRO 183 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1nku h PRO 183 CO 0.64 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1nku n GLY 184 N 1.84 1.84 0.58 1.56 0.00 -1.26 -4.43 105.19 105.32 1nku n GLY 184 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.80 -4.03 1.61 5.03 -1.26 -4.88 115.26 113.53 1nku n ASN 185 Ca 0.00 -1.63 -0.08 0.00 0.87 0.00 0.00 54.58 53.74 1nku n ASN 185 Cb 0.00 -0.04 -0.10 0.00 -1.02 0.00 0.00 39.78 38.63 1nku n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1nku s LYS 186 N -1.93 0.61 0.00 3.52 1.02 -1.26 -5.25 119.74 116.45 1nku s LYS 186 Ca 0.36 -1.07 0.18 0.00 0.02 0.00 0.00 55.97 55.46 1nku s LYS 186 Cb 0.20 0.22 1.09 0.00 -0.52 0.00 0.00 37.83 38.82 1nku s LYS 186 CO 0.31 -0.13 1.49 -0.35 -0.92 0.00 0.00 175.35 175.75