#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kn9 s ALA 2 N 0.00 2.28 -0.98 -5.12 0.00 -1.26 -4.87 121.76 111.81 2kn9 s ALA 2 Ca 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 51.96 49.87 2kn9 s ALA 2 Cb 0.00 -4.57 0.26 0.00 0.00 0.00 0.00 23.12 18.81 2kn9 s ALA 2 CO 0.00 -4.23 1.02 1.58 0.00 0.00 0.00 175.76 174.13 2kn9 n HIS 3 N 11.42 4.10 -4.60 0.00 -0.00 -1.26 -5.00 115.22 119.88 2kn9 n HIS 3 Ca 0.39 -3.76 -0.23 0.00 0.46 0.00 0.00 57.72 54.59 2kn9 n HIS 3 Cb 0.48 -1.28 -0.15 0.00 -0.12 0.00 0.00 29.99 28.92 2kn9 n HIS 3 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kn9 s HIS 4 N -1.75 1.26 -0.00 1.57 3.76 -1.26 -5.14 115.29 113.73 2kn9 s HIS 4 Ca 0.30 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 54.93 2kn9 s HIS 4 Cb -0.03 -0.85 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 2kn9 s HIS 4 CO -0.06 -0.09 -0.08 -1.01 -0.85 0.00 0.00 174.74 172.65 2kn9 s HIS 5 N -0.02 0.74 -1.04 1.40 0.09 -1.26 -5.06 115.29 110.14 2kn9 s HIS 5 Ca -0.00 -0.17 -0.23 0.00 -0.00 0.00 0.00 55.06 54.65 2kn9 s HIS 5 Cb -0.08 -0.47 -0.06 0.00 -0.00 0.00 0.00 32.58 31.97 2kn9 s HIS 5 CO 0.01 -0.01 1.91 -1.01 -0.00 0.00 0.00 174.74 175.63 2kn9 s HIS 6 N -0.30 1.93 -1.64 1.40 4.02 -1.26 -4.68 115.29 114.77 2kn9 s HIS 6 Ca 0.02 0.42 0.17 0.00 1.02 0.00 0.00 55.06 56.69 2kn9 s HIS 6 Cb -0.04 -4.08 0.38 0.00 -1.02 0.00 0.00 32.58 27.82 2kn9 s HIS 6 CO -0.00 -1.53 1.29 1.58 1.02 0.00 0.00 174.74 177.11 2kn9 n HIS 7 N 13.73 0.51 -1.90 1.40 -0.00 -1.26 -4.87 115.22 122.83 2kn9 n HIS 7 Ca 0.42 -0.36 -0.32 0.00 0.46 0.00 0.00 57.72 57.93 2kn9 n HIS 7 Cb 0.47 -0.01 -0.04 0.00 -0.12 0.00 0.00 29.99 30.29 2kn9 n HIS 7 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kn9 s HIS 8 N -1.12 1.54 0.08 1.57 5.65 -1.26 -4.74 115.29 117.00 2kn9 s HIS 8 Ca 0.31 1.02 -0.00 0.00 0.25 0.00 0.00 55.06 56.64 2kn9 s HIS 8 Cb 0.17 -3.91 -0.26 0.00 -1.18 0.00 0.00 32.58 27.41 2kn9 s HIS 8 CO 0.24 -2.10 1.15 0.52 -0.65 0.00 0.00 174.74 173.90 2kn9 h MET 9 N 14.44 0.18 0.00 2.88 0.00 -2.02 -3.50 114.93 126.92 2kn9 h MET 9 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 59.70 59.27 2kn9 h MET 9 Cb 1.12 0.11 0.00 0.00 0.00 0.00 0.00 31.60 32.83 2kn9 h MET 9 CO 1.18 1.13 0.00 0.41 0.00 0.00 0.00 176.91 179.63 2kn9 n GLY 10 N 1.49 0.10 3.16 8.32 0.00 -1.26 -4.98 105.19 112.02 2kn9 n GLY 10 Ca -0.07 -1.56 -0.44 0.00 0.00 0.00 0.00 46.02 43.96 2kn9 n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kn9 n THR 11 N 9.00 4.65 -3.24 2.61 -1.04 -1.26 -4.95 114.28 120.05 2kn9 n THR 11 Ca 0.00 -5.12 -0.44 0.00 -2.04 0.00 0.00 64.05 56.45 2kn9 n THR 11 Cb 0.00 -2.36 -0.06 0.00 -1.82 0.00 0.00 70.33 66.09 2kn9 n THR 11 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2kn9 s LEU 12 N -0.71 5.44 0.44 -4.42 2.34 -1.26 -5.05 118.68 115.46 2kn9 s LEU 12 Ca 0.36 -1.29 -0.22 0.00 0.06 0.00 0.00 54.13 53.04 2kn9 s LEU 12 Cb 0.01 -2.30 -0.08 0.00 -0.56 0.00 0.00 46.19 43.25 2kn9 s LEU 12 CO 0.01 -0.87 1.07 -1.61 -1.06 0.00 0.00 176.35 173.89 2kn9 s GLU 13 N 2.20 3.95 -0.09 1.48 2.02 -1.26 -4.95 118.70 122.04 2kn9 s GLU 13 Ca 0.09 1.50 0.12 0.00 0.02 0.00 0.00 54.97 56.70 2kn9 s GLU 13 Cb -0.23 -2.35 -0.24 0.00 0.10 0.00 0.00 34.13 31.41 2kn9 s GLU 13 CO 0.08 -0.32 0.47 0.00 0.02 0.00 0.00 175.26 175.50 2kn9 n ALA 14 N -0.48 1.45 0.06 5.21 0.00 -1.26 -4.28 120.51 121.21 2kn9 n ALA 14 Ca 0.07 -0.90 0.02 0.00 0.00 0.00 0.00 53.44 52.63 2kn9 n ALA 14 Cb 0.50 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 2kn9 n ALA 14 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kn9 h GLN 15 N 0.01 0.00 -6.44 0.00 1.08 -1.97 -3.49 115.11 104.30 2kn9 h GLN 15 Ca -0.37 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.35 2kn9 h GLN 15 Cb 2.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.49 2kn9 h GLN 15 CO 0.06 0.28 -0.91 0.25 -0.95 0.00 0.00 178.83 177.56 2kn9 n THR 16 N -2.91 -3.93 -1.75 -0.54 -2.24 -1.26 -1.03 114.28 100.62 2kn9 n THR 16 Ca -0.07 -0.66 -0.20 0.00 -2.27 0.00 0.00 64.05 60.85 2kn9 n THR 16 Cb 0.79 -3.16 -0.07 0.00 -2.10 0.00 0.00 70.33 65.78 2kn9 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kn9 n GLN 17 N -4.38 -1.50 -2.38 -0.78 1.13 -1.26 -4.94 117.38 103.28 2kn9 n GLN 17 Ca -0.23 1.15 -0.40 0.00 -1.94 0.00 0.00 57.00 55.58 2kn9 n GLN 17 Cb 0.65 -5.59 -0.04 0.00 0.11 0.00 0.00 30.24 25.38 2kn9 n GLN 17 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2kn9 s GLY 18 N -2.58 3.02 1.16 1.08 0.00 -0.19 -5.04 107.32 104.77 2kn9 s GLY 18 Ca 0.00 0.98 -0.20 0.00 0.00 0.00 0.00 44.72 45.51 2kn9 s GLY 18 CO 0.00 1.59 1.02 -1.05 0.00 0.00 0.00 173.10 174.66 2kn9 n PRO 19 N 0.96 -3.07 -2.68 2.90 -0.02 -1.26 -5.03 135.00 126.80 2kn9 n PRO 19 Ca -0.00 -1.64 0.00 0.00 -2.02 0.00 0.00 63.50 59.84 2kn9 n PRO 19 Cb 0.44 -1.54 0.05 0.00 -0.02 0.00 0.00 33.50 32.43 2kn9 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kn9 n GLY 20 N -4.36 1.72 3.57 -1.23 0.00 -1.26 -4.98 105.19 98.65 2kn9 n GLY 20 Ca 0.14 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 2kn9 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kn9 s SER 21 N -3.40 5.18 0.21 1.61 0.01 -1.26 -4.67 113.70 111.38 2kn9 s SER 21 Ca 0.26 -1.13 0.19 0.00 1.31 0.00 0.00 55.95 56.58 2kn9 s SER 21 Cb 0.33 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 64.01 2kn9 s SER 21 CO -0.06 -2.80 1.15 0.00 0.41 0.00 0.00 173.24 171.94 2kn9 h MET 22 N 10.55 0.00 0.00 12.44 -0.00 -1.96 -3.47 114.93 132.49 2kn9 h MET 22 Ca 0.16 0.00 -0.66 0.00 -0.00 0.00 0.00 59.70 59.19 2kn9 h MET 22 Cb 0.98 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 32.46 2kn9 h MET 22 CO 1.23 0.23 -0.46 0.09 -0.00 0.00 0.00 176.91 177.99 2kn9 n ASN 23 N -2.95 3.36 -4.56 -0.10 3.02 -1.26 -5.04 115.26 107.73 2kn9 n ASN 23 Ca -0.02 -3.22 -0.31 0.00 -0.03 0.00 0.00 54.58 50.99 2kn9 n ASN 23 Cb 0.70 0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 40.14 2kn9 n ASN 23 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kn9 s ASP 24 N -3.89 5.40 0.33 6.41 1.01 -1.26 -4.94 116.67 119.73 2kn9 s ASP 24 Ca 0.04 -0.63 0.10 0.00 0.71 0.00 0.00 52.55 52.76 2kn9 s ASP 24 Cb -0.00 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 2kn9 s ASP 24 CO 0.02 -2.48 -0.04 -0.31 0.21 0.00 0.00 175.17 172.57 2kn9 s TYR 25 N 9.03 2.49 0.09 4.23 2.02 -1.26 -5.10 117.35 128.85 2kn9 s TYR 25 Ca 0.65 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.88 2kn9 s TYR 25 Cb -0.07 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 2kn9 s TYR 25 CO 0.02 0.55 0.33 0.15 -1.57 0.00 0.00 175.55 175.02 2kn9 s LYS 26 N -3.66 3.59 -0.15 -0.62 3.01 -1.26 -4.33 119.74 116.32 2kn9 s LYS 26 Ca 0.33 -0.12 -0.03 0.00 -1.01 0.00 0.00 55.97 55.14 2kn9 s LYS 26 Cb -0.00 -2.95 -0.03 0.00 -1.01 0.00 0.00 37.83 33.84 2kn9 s LYS 26 CO 0.18 0.54 -0.05 -0.51 0.51 0.00 0.00 175.35 176.02 2kn9 s LEU 27 N -2.36 3.20 -0.22 3.17 1.43 0.24 -1.47 118.68 122.66 2kn9 s LEU 27 Ca 0.36 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2kn9 s LEU 27 Cb -0.13 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.38 2kn9 s LEU 27 CO 0.23 0.19 -0.12 -0.36 0.23 0.00 0.00 176.35 176.51 2kn9 s PHE 28 N 0.26 2.84 -0.23 0.29 0.40 0.93 0.29 117.98 122.75 2kn9 s PHE 28 Ca -0.04 -1.93 -0.09 0.00 -0.60 0.00 0.00 56.93 54.27 2kn9 s PHE 28 Cb -0.14 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 2kn9 s PHE 28 CO 0.03 -0.82 0.13 0.50 0.70 0.00 0.00 175.22 175.76 2kn9 s ARG 29 N 1.25 4.01 0.16 0.44 3.52 -0.21 0.27 118.95 128.39 2kn9 s ARG 29 Ca -0.04 -0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 54.95 2kn9 s ARG 29 Cb -0.18 -3.44 -0.09 0.00 -1.56 0.00 0.00 34.95 29.69 2kn9 s ARG 29 CO -0.07 0.09 1.39 0.00 -0.81 0.00 0.00 175.30 175.90 2kn9 n ILE 31 N 3.40 0.38 0.59 0.00 -5.35 0.53 -0.50 119.36 118.41 2kn9 n ILE 31 Ca 0.10 -0.48 0.11 0.00 -0.27 0.00 0.00 62.75 62.21 2kn9 n ILE 31 Cb 0.42 0.41 -0.07 0.00 -1.74 0.00 0.00 39.64 38.66 2kn9 n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kn9 n GLN 32 N 0.62 0.27 0.00 6.28 1.13 -1.26 -4.81 117.38 119.61 2kn9 n GLN 32 Ca 0.16 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2kn9 n GLN 32 Cb 0.37 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.18 2kn9 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kn9 n GLY 34 N -0.62 1.06 3.62 0.00 0.00 0.35 -5.04 105.19 104.57 2kn9 n GLY 34 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2kn9 n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kn9 n PHE 35 N -0.92 2.17 -3.48 1.61 7.35 -1.25 -4.59 117.46 118.35 2kn9 n PHE 35 Ca 0.00 -0.22 -0.38 0.00 -0.76 0.00 0.00 57.45 56.09 2kn9 n PHE 35 Cb 0.00 -2.76 -0.09 0.00 0.35 0.00 0.00 39.48 36.98 2kn9 n PHE 35 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2kn9 s GLU 36 N 5.67 4.03 -0.22 -4.13 2.02 -1.26 0.05 118.70 124.86 2kn9 s GLU 36 Ca 0.97 -0.08 -0.12 0.00 0.02 0.00 0.00 54.97 55.75 2kn9 s GLU 36 Cb -0.37 -3.63 -0.05 0.00 0.10 0.00 0.00 34.13 30.18 2kn9 s GLU 36 CO 0.38 -0.17 0.23 -0.47 0.02 0.00 0.00 175.26 175.25 2kn9 s TYR 37 N 1.75 3.36 -0.23 1.61 5.04 0.14 -4.92 117.35 124.10 2kn9 s TYR 37 Ca 0.12 0.38 -0.08 0.00 -2.44 0.00 0.00 57.07 55.06 2kn9 s TYR 37 Cb -0.15 -2.33 -0.04 0.00 0.35 0.00 0.00 41.96 39.79 2kn9 s TYR 37 CO 0.09 0.09 0.08 0.34 -1.34 0.00 0.00 175.55 174.82 2kn9 s ASP 38 N 0.90 5.39 0.54 4.32 2.15 -1.26 -0.05 116.67 128.67 2kn9 s ASP 38 Ca 0.12 -0.10 0.22 0.00 0.43 0.00 0.00 52.55 53.22 2kn9 s ASP 38 Cb -0.13 -1.96 1.43 0.00 -0.30 0.00 0.00 42.92 41.95 2kn9 s ASP 38 CO 0.05 0.03 2.12 -0.33 -0.17 0.00 0.00 175.17 176.86 2kn9 h GLU 39 N 7.78 0.00 0.03 4.34 5.08 -1.53 0.15 114.58 130.43 2kn9 h GLU 39 Ca -0.37 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.77 2kn9 h GLU 39 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2kn9 h GLU 39 CO 0.61 0.00 -1.04 0.00 -1.00 0.00 0.00 179.01 177.58 2kn9 h ALA 40 N 1.90 0.32 0.03 3.43 0.00 -1.87 0.53 119.26 123.60 2kn9 h ALA 40 Ca 0.08 -0.89 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 2kn9 h ALA 40 Cb 0.33 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kn9 h ALA 40 CO -0.00 1.17 -0.27 1.25 0.00 0.00 0.00 179.25 181.40 2kn9 h LEU 41 N 0.02 0.18 0.00 0.00 6.46 -1.59 -3.34 115.31 117.04 2kn9 h LEU 41 Ca -0.04 -0.91 0.00 0.00 -0.12 0.00 0.00 57.88 56.82 2kn9 h LEU 41 Cb 1.79 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.66 2kn9 h LEU 41 CO 0.14 1.07 0.00 0.61 -0.62 0.00 0.00 178.44 179.65 2kn9 n GLY 42 N 1.41 -0.63 2.75 3.75 0.00 0.44 -4.20 105.19 108.71 2kn9 n GLY 42 Ca -0.11 -1.13 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 2kn9 n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kn9 s TRP 43 N 0.00 -1.53 0.36 1.61 -0.11 0.37 -4.75 118.94 114.89 2kn9 s TRP 43 Ca 0.00 -0.62 0.39 0.00 1.22 0.00 0.00 56.10 57.09 2kn9 s TRP 43 Cb 0.00 0.28 1.89 0.00 -1.50 0.00 0.00 33.47 34.13 2kn9 s TRP 43 CO 0.00 -1.26 2.17 -1.35 -4.62 0.00 0.00 176.95 171.88 2kn9 h PRO 44 N 5.04 0.00 -0.68 5.86 0.11 -1.82 0.10 132.00 140.61 2kn9 h PRO 44 Ca 0.07 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.20 2kn9 h PRO 44 Cb 1.10 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2kn9 h PRO 44 CO 0.02 0.00 0.45 0.93 -0.21 0.00 0.00 178.00 179.20 2kn9 h GLU 45 N 0.00 0.85 0.00 1.05 4.39 -1.95 -2.71 114.58 116.21 2kn9 h GLU 45 Ca 0.00 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 2kn9 h GLU 45 Cb 0.25 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2kn9 h GLU 45 CO 0.00 0.57 -2.09 -3.47 -1.16 0.00 0.00 179.01 172.86 2kn9 n ASP 46 N -4.44 0.02 0.00 1.42 2.03 -0.67 -4.99 116.55 109.92 2kn9 n ASP 46 Ca 0.08 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2kn9 n ASP 46 Cb 0.08 1.68 0.00 0.00 -0.72 0.00 0.00 41.12 42.16 2kn9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kn9 n GLY 47 N 1.40 1.16 3.63 0.27 0.00 -0.25 -5.08 105.19 106.31 2kn9 n GLY 47 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2kn9 n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kn9 s ILE 48 N -1.61 3.32 0.35 -0.61 -1.09 0.19 -4.80 121.20 116.96 2kn9 s ILE 48 Ca 0.00 0.36 -0.26 0.00 -2.23 0.00 0.00 60.65 58.52 2kn9 s ILE 48 Cb 0.00 -3.33 -0.09 0.00 -1.58 0.00 0.00 42.46 37.46 2kn9 s ILE 48 CO 0.00 -0.14 1.05 0.00 -1.23 0.00 0.00 174.94 174.62 2kn9 s ALA 49 N 5.94 3.20 -0.15 9.38 0.00 -1.26 -0.48 121.76 138.39 2kn9 s ALA 49 Ca 0.84 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 2kn9 s ALA 49 Cb -0.32 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2kn9 s ALA 49 CO 0.34 -0.16 1.92 0.00 0.00 0.00 0.00 175.76 177.86 2kn9 s ALA 50 N -1.49 3.17 0.00 0.00 0.00 -1.26 -1.02 121.76 121.16 2kn9 s ALA 50 Ca 0.53 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2kn9 s ALA 50 Cb -0.25 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2kn9 s ALA 50 CO 0.32 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 174.35 2kn9 n GLY 51 N 5.00 0.77 3.69 0.00 0.00 0.18 -4.97 105.19 109.85 2kn9 n GLY 51 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2kn9 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kn9 s THR 52 N -2.00 4.54 0.62 2.61 2.01 -0.19 -4.98 115.64 118.24 2kn9 s THR 52 Ca 0.00 1.83 -0.12 0.00 0.31 0.00 0.00 61.69 63.71 2kn9 s THR 52 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2kn9 s THR 52 CO 0.00 0.00 1.03 -0.13 -0.69 0.00 0.00 174.62 174.83 2kn9 s ARG 53 N 2.10 3.53 0.27 4.92 1.81 -1.26 -4.68 118.95 125.65 2kn9 s ARG 53 Ca 0.52 0.81 -0.02 0.00 -1.72 0.00 0.00 55.73 55.32 2kn9 s ARG 53 Cb -0.21 -2.07 0.44 0.00 -0.45 0.00 0.00 34.95 32.66 2kn9 s ARG 53 CO 0.20 -0.62 1.89 2.35 -0.68 0.00 0.00 175.30 178.43 2kn9 h TRP 54 N -0.24 1.17 0.00 -0.53 2.91 -1.96 -0.56 115.95 116.74 2kn9 h TRP 54 Ca -0.44 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.61 2kn9 h TRP 54 Cb 1.19 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 29.46 2kn9 h TRP 54 CO 0.65 0.60 0.00 -0.25 -1.03 0.00 0.00 178.44 178.41 2kn9 n ASP 55 N -4.50 0.00 0.03 2.65 9.92 -1.26 -2.17 116.55 121.22 2kn9 n ASP 55 Ca 0.15 -0.11 0.12 0.00 -0.53 0.00 0.00 54.79 54.42 2kn9 n ASP 55 Cb 0.19 -0.28 0.13 0.00 -0.64 0.00 0.00 41.12 40.52 2kn9 n ASP 55 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kn9 n ASP 56 N -1.28 0.63 -4.73 -2.24 2.03 -0.23 -4.84 116.55 105.88 2kn9 n ASP 56 Ca 0.13 -0.12 -0.37 0.00 0.52 0.00 0.00 54.79 54.95 2kn9 n ASP 56 Cb 0.22 0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 40.99 2kn9 n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kn9 s ILE 57 N -3.13 5.23 0.32 5.18 1.01 -0.92 -4.98 121.20 123.91 2kn9 s ILE 57 Ca 0.07 0.76 -0.29 0.00 0.00 0.00 0.00 60.65 61.19 2kn9 s ILE 57 Cb 0.15 -3.73 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 2kn9 s ILE 57 CO 0.75 0.37 1.36 -0.81 0.00 0.00 0.00 174.94 176.61 2kn9 n PRO 58 N 3.50 2.21 0.08 2.79 -0.04 -1.26 -4.86 135.00 137.42 2kn9 n PRO 58 Ca -0.10 0.78 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 2kn9 n PRO 58 Cb 0.52 -2.41 0.39 0.00 -0.04 0.00 0.00 33.50 31.96 2kn9 n PRO 58 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kn9 n ASP 59 N 1.20 0.38 0.15 3.54 5.75 -1.26 -1.04 116.55 125.27 2kn9 n ASP 59 Ca 0.06 0.62 0.12 0.00 -0.01 0.00 0.00 54.79 55.58 2kn9 n ASP 59 Cb 0.35 -0.69 0.19 0.00 -1.03 0.00 0.00 41.12 39.94 2kn9 n ASP 59 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kn9 h ASP 60 N 0.00 0.00 -2.05 -1.12 3.58 -2.01 -3.35 116.42 111.47 2kn9 h ASP 60 Ca 0.00 -0.03 -0.62 0.00 0.42 0.00 0.00 57.03 56.80 2kn9 h ASP 60 Cb 0.20 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.30 2kn9 h ASP 60 CO 0.00 0.01 0.83 1.87 -2.88 0.00 0.00 179.24 179.07 2kn9 n TRP 61 N -2.70 2.14 -3.99 0.28 -0.00 -0.20 -4.82 117.44 108.14 2kn9 n TRP 61 Ca 0.03 0.28 -0.32 0.00 -0.00 0.00 0.00 57.50 57.49 2kn9 n TRP 61 Cb 0.50 -2.53 -0.06 0.00 -0.00 0.00 0.00 31.31 29.22 2kn9 n TRP 61 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 2kn9 s SER 62 N 1.88 6.03 0.00 5.87 1.04 -1.26 -3.02 113.70 124.24 2kn9 s SER 62 Ca 0.85 0.22 -0.31 0.00 0.48 0.00 0.00 55.95 57.19 2kn9 s SER 62 Cb -0.76 -1.81 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 2kn9 s SER 62 CO 0.45 0.24 1.94 0.00 0.98 0.00 0.00 173.24 176.85 2kn9 n PRO 64 N 7.12 0.01 0.01 0.00 -0.04 -1.26 -0.27 135.00 140.57 2kn9 n PRO 64 Ca 0.21 0.38 -0.22 0.00 -0.04 0.00 0.00 63.50 63.83 2kn9 n PRO 64 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 2kn9 n PRO 64 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kn9 h ASP 65 N 0.00 0.42 0.00 3.54 3.58 -1.97 -3.45 116.42 118.54 2kn9 h ASP 65 Ca 0.00 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.56 2kn9 h ASP 65 Cb 0.09 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2kn9 h ASP 65 CO 0.00 1.77 -0.64 0.00 -2.88 0.00 0.00 179.24 177.49 2kn9 n GLY 67 N 2.63 0.96 3.75 0.00 0.00 0.63 -4.99 105.19 108.18 2kn9 n GLY 67 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2kn9 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kn9 s ALA 68 N -1.77 2.65 0.88 4.61 0.00 -1.26 -4.36 121.76 122.51 2kn9 s ALA 68 Ca 0.00 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 2kn9 s ALA 68 Cb 0.00 -3.51 0.18 0.00 0.00 0.00 0.00 23.12 19.79 2kn9 s ALA 68 CO 0.00 -1.27 1.22 0.00 0.00 0.00 0.00 175.76 175.71 2kn9 s ALA 69 N -1.44 2.72 0.36 0.00 0.00 -1.26 0.90 121.76 123.03 2kn9 s ALA 69 Ca 0.75 -1.38 0.07 0.00 0.00 0.00 0.00 51.96 51.40 2kn9 s ALA 69 Cb -0.35 -2.52 0.76 0.00 0.00 0.00 0.00 23.12 21.01 2kn9 s ALA 69 CO 0.40 -2.12 1.93 0.87 0.00 0.00 0.00 175.76 176.83 2kn9 h LYS 70 N -1.28 0.72 0.00 0.00 1.57 -1.67 -0.13 116.57 115.78 2kn9 h LYS 70 Ca -0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2kn9 h LYS 70 Cb 1.24 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2kn9 h LYS 70 CO 0.39 0.48 0.00 1.03 -0.57 0.00 0.00 179.45 180.77 2kn9 h SER 71 N 0.74 0.00 -0.40 0.86 0.87 -1.92 -0.61 113.55 113.09 2kn9 h SER 71 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2kn9 h SER 71 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2kn9 h SER 71 CO -0.13 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.64 2kn9 n ASP 72 N -2.39 2.18 -4.80 6.23 8.00 -0.06 -4.85 116.55 120.85 2kn9 n ASP 72 Ca 0.00 -1.98 -0.30 0.00 0.71 0.00 0.00 54.79 53.23 2kn9 n ASP 72 Cb 0.15 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 2kn9 n ASP 72 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kn9 s PHE 73 N -1.47 3.24 0.12 1.24 0.40 -0.24 -0.35 117.98 120.91 2kn9 s PHE 73 Ca 0.28 0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.77 2kn9 s PHE 73 Cb 0.15 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 2kn9 s PHE 73 CO 0.19 0.53 -0.09 -1.83 0.70 0.00 0.00 175.22 174.73 2kn9 s GLU 74 N -2.53 2.16 -0.39 0.44 -1.05 0.82 -4.87 118.70 113.28 2kn9 s GLU 74 Ca 0.30 -1.05 -0.20 0.00 -0.15 0.00 0.00 54.97 53.88 2kn9 s GLU 74 Cb -0.12 -2.30 0.01 0.00 -0.44 0.00 0.00 34.13 31.28 2kn9 s GLU 74 CO 0.23 0.50 0.61 1.41 0.95 0.00 0.00 175.26 178.96 2kn9 s MET 75 N -2.33 3.50 0.13 -4.83 -2.45 -1.26 -1.04 119.30 111.02 2kn9 s MET 75 Ca 0.22 -0.18 0.09 0.00 -1.25 0.00 0.00 55.69 54.58 2kn9 s MET 75 Cb -0.11 -3.87 -0.04 0.00 1.25 0.00 0.00 34.83 32.07 2kn9 s MET 75 CO 0.14 -0.83 -0.22 0.08 1.05 0.00 0.00 175.02 175.25 2kn9 s VAL 76 N 2.67 1.92 0.65 10.11 1.01 0.14 -5.01 120.40 131.88 2kn9 s VAL 76 Ca 0.22 -1.72 -0.02 0.00 0.00 0.00 0.00 61.98 60.46 2kn9 s VAL 76 Cb -0.15 -1.77 0.07 0.00 0.00 0.00 0.00 36.38 34.53 2kn9 s VAL 76 CO 0.16 -0.09 0.91 -1.83 0.00 0.00 0.00 175.10 174.26 2kn9 s GLU 77 N -2.20 2.20 -0.57 2.72 -1.05 -1.26 -0.59 118.70 117.95 2kn9 s GLU 77 Ca 0.11 -0.67 -0.20 0.00 -0.15 0.00 0.00 54.97 54.07 2kn9 s GLU 77 Cb -0.09 -2.34 0.08 0.00 -0.44 0.00 0.00 34.13 31.34 2kn9 s GLU 77 CO 0.06 -1.08 0.72 0.08 0.95 0.00 0.00 175.26 175.98 2kn9 s VAL 78 N -3.02 4.76 -0.11 1.83 1.01 -1.26 -4.72 120.40 118.88 2kn9 s VAL 78 Ca 0.60 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2kn9 s VAL 78 Cb -0.09 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2kn9 s VAL 78 CO 0.42 -1.05 0.32 0.00 0.00 0.00 0.00 175.10 174.79 2kn9 s ALA 79 N 2.88 3.64 -0.32 5.51 0.00 -1.26 -5.06 121.76 127.15 2kn9 s ALA 79 Ca 0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.62 2kn9 s ALA 79 Cb -0.21 -2.37 -0.00 0.00 0.00 0.00 0.00 23.12 20.54 2kn9 s ALA 79 CO 0.09 0.24 0.16 1.03 0.00 0.00 0.00 175.76 177.28 2kn9 s ARG 80 N -0.08 3.25 0.00 0.00 3.00 -1.26 -5.24 118.95 118.62 2kn9 s ARG 80 Ca 0.19 -0.78 0.25 0.00 0.00 0.00 0.00 55.73 55.40 2kn9 s ARG 80 Cb -0.14 -3.58 0.46 0.00 0.00 0.00 0.00 34.95 31.69 2kn9 s ARG 80 CO 0.07 -0.46 1.41 0.43 0.00 0.00 0.00 175.30 176.75