#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kn2 n HIS 2 N 0.00 0.43 -0.27 1.61 -0.00 -1.26 -3.55 115.22 112.18 2kn2 n HIS 2 Ca 0.00 0.13 -0.05 0.00 -0.00 0.00 0.00 57.72 57.80 2kn2 n HIS 2 Cb 0.00 -0.68 0.09 0.00 -0.00 0.00 0.00 29.99 29.40 2kn2 n HIS 2 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2kn2 h MET 3 N 0.00 1.15 0.00 -1.40 0.00 -2.07 -2.93 114.93 109.68 2kn2 h MET 3 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 59.70 59.50 2kn2 h MET 3 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 31.60 32.03 2kn2 h MET 3 CO 0.00 0.93 0.00 -3.47 0.00 0.00 0.00 176.91 174.37 2kn2 n ASP 4 N -4.28 0.00 -3.99 1.22 -0.08 -1.23 -3.73 116.55 104.47 2kn2 n ASP 4 Ca 0.07 0.01 -0.43 0.00 -1.51 0.00 0.00 54.79 52.93 2kn2 n ASP 4 Cb 0.18 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.65 2kn2 n ASP 4 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2kn2 n THR 5 N -0.02 4.60 -0.00 5.18 -2.24 -1.26 -4.76 114.28 115.79 2kn2 n THR 5 Ca 0.00 -4.87 0.01 0.00 -2.27 0.00 0.00 64.05 56.92 2kn2 n THR 5 Cb 0.00 -2.31 0.34 0.00 -2.10 0.00 0.00 70.33 66.26 2kn2 n THR 5 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2kn2 h ASP 6 N 5.85 0.49 0.31 3.42 2.03 -1.60 -2.94 116.42 123.98 2kn2 h ASP 6 Ca 0.33 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 2kn2 h ASP 6 Cb 0.66 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 39.01 2kn2 h ASP 6 CO 1.49 0.49 -0.32 0.00 -1.03 0.00 0.00 179.24 179.87 2kn2 h ALA 7 N 1.58 -0.67 -0.98 4.15 0.00 -1.88 -0.10 119.26 121.36 2kn2 h ALA 7 Ca 0.12 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.13 2kn2 h ALA 7 Cb 0.21 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2kn2 h ALA 7 CO -0.00 -0.91 0.62 0.93 0.00 0.00 0.00 179.25 179.88 2kn2 h GLU 8 N -0.66 0.62 -0.52 0.00 3.07 -1.93 0.18 114.58 115.34 2kn2 h GLU 8 Ca -0.01 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 2kn2 h GLU 8 Cb 0.61 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 2kn2 h GLU 8 CO -0.07 0.41 -0.12 0.93 -1.40 0.00 0.00 179.01 178.75 2kn2 h GLU 9 N 0.64 0.99 -0.07 2.33 4.39 -1.23 -1.84 114.58 119.78 2kn2 h GLU 9 Ca 0.55 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2kn2 h GLU 9 Cb 1.03 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2kn2 h GLU 9 CO -0.31 1.04 0.05 1.49 -1.16 0.00 0.00 179.01 180.12 2kn2 h GLU 10 N 0.88 0.10 -0.77 2.33 4.81 0.12 0.51 114.58 122.55 2kn2 h GLU 10 Ca 0.13 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2kn2 h GLU 10 Cb 0.68 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 2kn2 h GLU 10 CO 0.05 0.06 0.45 -0.07 -0.73 0.00 0.00 179.01 178.77 2kn2 h LEU 11 N 0.10 0.93 0.15 1.64 4.07 -1.24 0.16 115.31 121.11 2kn2 h LEU 11 Ca 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2kn2 h LEU 11 Cb -0.01 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.50 2kn2 h LEU 11 CO -0.01 0.73 -0.07 0.11 -1.08 0.00 0.00 178.44 178.12 2kn2 h LYS 12 N 1.05 -0.19 0.00 1.13 1.57 -0.97 0.05 116.57 119.21 2kn2 h LYS 12 Ca 0.27 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2kn2 h LYS 12 Cb -0.02 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2kn2 h LYS 12 CO -0.05 0.17 -0.11 0.93 -0.57 0.00 0.00 179.45 179.82 2kn2 h GLU 13 N -0.59 -0.19 -0.63 3.15 4.39 0.12 -1.38 114.58 119.46 2kn2 h GLU 13 Ca -0.02 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2kn2 h GLU 13 Cb 0.45 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 2kn2 h GLU 13 CO 0.03 -0.12 0.37 0.00 -1.16 0.00 0.00 179.01 178.13 2kn2 h ALA 14 N 0.77 0.82 -0.63 3.43 0.00 -0.73 -1.82 119.26 121.11 2kn2 h ALA 14 Ca 0.04 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2kn2 h ALA 14 Cb 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2kn2 h ALA 14 CO -0.11 0.08 0.24 0.35 0.00 0.00 0.00 179.25 179.81 2kn2 h PHE 15 N 0.71 0.41 -0.19 0.00 3.57 -0.45 0.37 116.94 121.36 2kn2 h PHE 15 Ca 0.27 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 2kn2 h PHE 15 Cb 0.09 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2kn2 h PHE 15 CO -0.07 0.09 -0.04 -0.22 -2.23 0.00 0.00 178.31 175.84 2kn2 h LYS 16 N 0.41 0.28 -0.09 1.11 3.64 -0.49 0.13 116.57 121.56 2kn2 h LYS 16 Ca 0.32 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.48 2kn2 h LYS 16 Cb 0.41 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2kn2 h LYS 16 CO -0.32 0.35 -0.60 0.28 -2.27 0.00 0.00 179.45 176.89 2kn2 h VAL 17 N 0.28 1.35 -0.41 2.00 2.07 -0.04 -3.29 116.25 118.21 2kn2 h VAL 17 Ca 0.06 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.64 2kn2 h VAL 17 Cb 0.26 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2kn2 h VAL 17 CO 0.01 0.58 0.11 -0.26 0.02 0.00 0.00 177.57 178.03 2kn2 h PHE 18 N 0.18 0.67 0.00 1.57 0.04 0.00 -3.30 116.94 116.12 2kn2 h PHE 18 Ca -0.05 -0.08 -0.69 0.00 2.80 0.00 0.00 57.97 59.95 2kn2 h PHE 18 Cb 1.25 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 2kn2 h PHE 18 CO 0.11 0.64 2.93 -3.47 -0.60 0.00 0.00 178.31 177.92 2kn2 n ASP 19 N -4.57 3.62 -0.18 2.17 2.03 -0.00 -4.70 116.55 114.91 2kn2 n ASP 19 Ca -0.00 -2.79 -0.04 0.00 0.52 0.00 0.00 54.79 52.48 2kn2 n ASP 19 Cb 0.20 -1.51 0.06 0.00 -0.72 0.00 0.00 41.12 39.15 2kn2 n ASP 19 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kn2 h LYS 20 N 6.48 0.54 0.00 -0.67 3.64 -1.76 0.75 116.57 125.55 2kn2 h LYS 20 Ca 0.54 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2kn2 h LYS 20 Cb 0.64 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2kn2 h LYS 20 CO 1.90 0.36 -0.01 -0.44 -2.27 0.00 0.00 179.45 179.00 2kn2 h ASP 21 N 0.56 0.00 -4.42 4.20 3.32 -1.90 -3.46 116.42 114.72 2kn2 h ASP 21 Ca 0.24 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.93 2kn2 h ASP 21 Cb 0.13 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.76 2kn2 h ASP 21 CO -0.16 0.01 -0.56 1.67 -1.72 0.00 0.00 179.24 178.48 2kn2 n GLN 22 N -3.13 -5.23 -0.22 3.56 7.27 0.26 -4.88 117.38 115.01 2kn2 n GLN 22 Ca -0.01 0.79 0.12 0.00 0.07 0.00 0.00 57.00 57.97 2kn2 n GLN 22 Cb 0.18 -5.49 0.24 0.00 2.41 0.00 0.00 30.24 27.58 2kn2 n GLN 22 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2kn2 n ASN 23 N -2.20 3.49 -0.18 1.69 6.94 -1.26 -4.92 115.26 118.83 2kn2 n ASN 23 Ca -0.07 -1.99 -0.02 0.00 -0.02 0.00 0.00 54.58 52.48 2kn2 n ASN 23 Cb 0.59 -0.29 -0.01 0.00 -2.36 0.00 0.00 39.78 37.72 2kn2 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2kn2 n GLY 24 N 1.53 0.57 2.98 4.83 0.00 -1.26 -5.01 105.19 108.82 2kn2 n GLY 24 Ca 0.20 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2kn2 n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kn2 s TYR 25 N -1.99 -0.06 -0.11 1.61 1.51 -1.26 -4.39 117.35 112.64 2kn2 s TYR 25 Ca 0.00 0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 56.19 2kn2 s TYR 25 Cb 0.00 0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.83 2kn2 s TYR 25 CO 0.00 -0.08 -0.01 0.42 -1.11 0.00 0.00 175.55 174.78 2kn2 s ILE 26 N -0.17 4.22 0.00 2.71 1.01 -0.46 -4.78 121.20 123.74 2kn2 s ILE 26 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2kn2 s ILE 26 Cb -0.02 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.64 2kn2 s ILE 26 CO 0.00 0.56 0.00 -1.54 0.00 0.00 0.00 174.94 173.96 2kn2 n SER 27 N 2.68 1.20 0.07 3.58 3.41 -1.26 -1.04 113.62 122.25 2kn2 n SER 27 Ca -0.18 -0.61 -0.19 0.00 -0.26 0.00 0.00 58.87 57.63 2kn2 n SER 27 Cb 0.53 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.34 2kn2 n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kn2 h ALA 28 N 0.56 0.22 -0.58 7.33 0.00 -1.97 -2.97 119.26 121.86 2kn2 h ALA 28 Ca 0.00 -1.12 0.03 0.00 0.00 0.00 0.00 54.91 53.82 2kn2 h ALA 28 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2kn2 h ALA 28 CO 0.00 1.09 0.34 0.66 0.00 0.00 0.00 179.25 181.33 2kn2 h SER 29 N 0.09 0.53 -0.25 0.00 4.64 -1.98 0.28 113.55 116.85 2kn2 h SER 29 Ca -0.28 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 60.91 2kn2 h SER 29 Cb 2.05 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 64.05 2kn2 h SER 29 CO 0.17 0.37 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.80 2kn2 h GLU 30 N 0.66 0.68 -0.43 4.77 5.08 -1.89 -1.57 114.58 121.88 2kn2 h GLU 30 Ca 0.24 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2kn2 h GLU 30 Cb 0.07 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2kn2 h GLU 30 CO -0.12 1.02 0.27 1.25 -1.00 0.00 0.00 179.01 180.43 2kn2 h LEU 31 N 0.40 0.50 -0.57 1.33 5.85 -1.28 -1.04 115.31 120.50 2kn2 h LEU 31 Ca 0.02 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2kn2 h LEU 31 Cb 0.96 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2kn2 h LEU 31 CO 0.08 0.39 0.15 -0.09 -0.34 0.00 0.00 178.44 178.63 2kn2 h ARG 32 N 0.57 0.90 -0.57 1.25 2.43 -0.46 -1.69 114.38 116.80 2kn2 h ARG 32 Ca 0.15 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2kn2 h ARG 32 Cb -0.03 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 2kn2 h ARG 32 CO -0.03 0.83 0.35 0.45 -1.51 0.00 0.00 179.97 180.06 2kn2 h HIS 33 N 0.81 0.66 -0.57 2.20 3.86 -0.90 -0.97 115.15 120.23 2kn2 h HIS 33 Ca 0.18 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 2kn2 h HIS 33 Cb 0.33 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 2kn2 h HIS 33 CO 0.02 0.38 0.10 0.28 0.86 0.00 0.00 177.93 179.58 2kn2 h VAL 34 N 0.70 1.26 -0.87 2.45 2.07 -1.03 -1.70 116.25 119.13 2kn2 h VAL 34 Ca 0.23 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kn2 h VAL 34 Cb 0.00 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2kn2 h VAL 34 CO -0.09 0.35 0.54 0.24 0.02 0.00 0.00 177.57 178.63 2kn2 h MET 35 N 0.85 1.18 -0.51 1.57 2.07 -0.80 -1.61 114.93 117.67 2kn2 h MET 35 Ca 0.18 -0.10 -0.06 0.00 -2.07 0.00 0.00 59.70 57.64 2kn2 h MET 35 Cb 0.41 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 29.87 2kn2 h MET 35 CO 0.01 0.82 0.07 0.82 1.07 0.00 0.00 176.91 179.70 2kn2 h ILE 36 N 1.20 1.25 -0.07 -1.22 1.08 -0.96 -2.06 117.51 116.73 2kn2 h ILE 36 Ca 0.31 -0.96 0.02 0.00 -0.39 0.00 0.00 64.86 63.84 2kn2 h ILE 36 Cb -0.06 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 2kn2 h ILE 36 CO -0.06 0.34 0.05 -1.13 -0.69 0.00 0.00 178.15 176.66 2kn2 h ASN 37 N 0.74 0.01 0.00 1.72 -1.24 -0.71 0.21 115.58 116.31 2kn2 h ASN 37 Ca 0.15 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2kn2 h ASN 37 Cb 0.42 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 2kn2 h ASN 37 CO 0.01 0.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.34 2kn2 n LEU 38 N -4.52 0.00 -0.17 0.34 4.77 -0.66 -4.83 117.00 111.93 2kn2 n LEU 38 Ca -0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 2kn2 n LEU 38 Cb 0.15 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2kn2 n LEU 38 CO 0.34 0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 176.99 2kn2 n GLY 39 N 0.56 0.43 3.26 -0.72 0.00 0.75 -5.04 105.19 104.43 2kn2 n GLY 39 Ca 0.16 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 2kn2 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kn2 s GLU 40 N -2.96 2.03 -0.39 1.61 2.02 -0.82 -5.03 118.70 115.16 2kn2 s GLU 40 Ca 0.00 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 2kn2 s GLU 40 Cb 0.00 -1.89 0.09 0.00 0.10 0.00 0.00 34.13 32.43 2kn2 s GLU 40 CO 0.00 0.47 0.18 0.21 0.02 0.00 0.00 175.26 176.13 2kn2 s LYS 41 N -0.44 2.25 0.06 1.61 2.20 -1.26 -2.98 119.74 121.19 2kn2 s LYS 41 Ca 0.06 -1.61 0.04 0.00 -0.36 0.00 0.00 55.97 54.10 2kn2 s LYS 41 Cb -0.10 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 2kn2 s LYS 41 CO 0.00 -0.95 -0.01 -0.51 -0.36 0.00 0.00 175.35 173.53 2kn2 s LEU 42 N 1.24 3.44 0.53 5.43 1.02 -1.26 -5.12 118.68 123.97 2kn2 s LEU 42 Ca 0.04 -0.13 -0.08 0.00 0.02 0.00 0.00 54.13 53.98 2kn2 s LEU 42 Cb -0.22 -2.11 -0.04 0.00 0.02 0.00 0.00 46.19 43.84 2kn2 s LEU 42 CO -0.02 0.21 0.89 -0.89 0.02 0.00 0.00 176.35 176.56 2kn2 s THR 43 N -1.22 4.82 0.28 5.49 2.01 -1.26 -4.95 115.64 120.81 2kn2 s THR 43 Ca 0.23 0.50 0.02 0.00 0.31 0.00 0.00 61.69 62.76 2kn2 s THR 43 Cb -0.12 -3.86 0.27 0.00 0.01 0.00 0.00 72.50 68.80 2kn2 s THR 43 CO 0.15 -0.96 1.75 -0.78 -0.69 0.00 0.00 174.62 174.10 2kn2 h ASP 44 N 0.05 0.58 -0.70 3.53 3.58 -2.00 0.05 116.42 121.50 2kn2 h ASP 44 Ca -0.46 0.11 0.14 0.00 0.42 0.00 0.00 57.03 57.24 2kn2 h ASP 44 Cb 1.20 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 42.16 2kn2 h ASP 44 CO 0.62 0.19 0.18 -0.33 -2.88 0.00 0.00 179.24 177.02 2kn2 h GLU 45 N 0.63 0.28 -0.76 0.28 3.07 -1.99 0.10 114.58 116.18 2kn2 h GLU 45 Ca 0.52 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.37 2kn2 h GLU 45 Cb 0.82 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.62 2kn2 h GLU 45 CO -0.40 0.19 0.50 0.93 -1.40 0.00 0.00 179.01 178.83 2kn2 h GLU 46 N 0.29 1.01 -0.31 2.33 4.39 -1.36 0.19 114.58 121.12 2kn2 h GLU 46 Ca 0.39 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 2kn2 h GLU 46 Cb 0.63 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kn2 h GLU 46 CO -0.47 0.67 0.15 0.28 -1.16 0.00 0.00 179.01 178.48 2kn2 h VAL 47 N 1.04 1.16 -0.10 3.13 2.07 -0.66 -1.98 116.25 120.90 2kn2 h VAL 47 Ca 0.28 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kn2 h VAL 47 Cb -0.11 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2kn2 h VAL 47 CO -0.06 0.17 0.05 -0.33 0.02 0.00 0.00 177.57 177.42 2kn2 h GLU 48 N 0.36 0.14 -1.00 1.57 4.39 -0.64 -0.02 114.58 119.39 2kn2 h GLU 48 Ca 0.11 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.95 2kn2 h GLU 48 Cb 0.13 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.66 2kn2 h GLU 48 CO -0.01 0.19 0.61 1.96 -1.16 0.00 0.00 179.01 180.61 2kn2 h GLN 49 N 0.06 0.83 -0.20 2.33 4.20 -0.83 0.63 115.11 122.12 2kn2 h GLN 49 Ca 0.04 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 2kn2 h GLN 49 Cb 0.10 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2kn2 h GLN 49 CO -0.01 0.55 -0.41 0.52 -0.67 0.00 0.00 178.83 178.81 2kn2 h MET 50 N 0.86 0.64 -0.28 1.46 2.86 -0.97 -2.19 114.93 117.30 2kn2 h MET 50 Ca 0.54 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2kn2 h MET 50 Cb 0.72 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2kn2 h MET 50 CO -0.34 1.03 -0.03 0.82 1.06 0.00 0.00 176.91 179.46 2kn2 h ILE 51 N 0.32 1.27 -0.66 -1.22 2.04 0.50 -1.74 117.51 118.02 2kn2 h ILE 51 Ca 0.01 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 2kn2 h ILE 51 Cb 1.01 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 2kn2 h ILE 51 CO 0.09 0.32 0.31 0.07 0.00 0.00 0.00 178.15 178.95 2kn2 h LYS 52 N 0.29 0.94 -0.33 2.37 2.10 0.13 2.44 116.57 124.52 2kn2 h LYS 52 Ca 0.08 -0.14 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2kn2 h LYS 52 Cb 0.48 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.63 2kn2 h LYS 52 CO 0.02 0.75 0.19 0.93 -2.00 0.00 0.00 179.45 179.34 2kn2 h GLU 53 N 0.91 0.46 0.14 0.07 4.39 -1.30 -3.13 114.58 116.11 2kn2 h GLU 53 Ca 0.22 -0.05 -0.27 0.00 0.34 0.00 0.00 59.36 59.60 2kn2 h GLU 53 Cb 0.12 -0.09 0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2kn2 h GLU 53 CO -0.03 0.38 -1.16 0.00 -1.16 0.00 0.00 179.01 177.04 2kn2 h ALA 54 N 1.06 -0.05 -2.14 3.43 0.00 -1.02 -3.43 119.26 117.10 2kn2 h ALA 54 Ca 0.12 -0.76 -0.56 0.00 0.00 0.00 0.00 54.91 53.71 2kn2 h ALA 54 Cb 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kn2 h ALA 54 CO -0.02 0.60 1.07 0.34 0.00 0.00 0.00 179.25 181.24 2kn2 s ASP 55 N -7.32 6.60 0.00 0.00 -1.08 0.82 -4.84 116.67 110.86 2kn2 s ASP 55 Ca -0.10 1.86 0.19 0.00 -0.52 0.00 0.00 52.55 53.98 2kn2 s ASP 55 Cb 0.04 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.84 2kn2 s ASP 55 CO 0.91 -1.03 0.88 0.18 0.52 0.00 0.00 175.17 176.63 2kn2 n LEU 56 N 7.58 1.27 -0.25 -1.34 4.77 -1.26 -4.23 117.00 123.53 2kn2 n LEU 56 Ca 0.17 -0.60 0.03 0.00 -0.03 0.00 0.00 56.01 55.58 2kn2 n LEU 56 Cb 0.44 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2kn2 n LEU 56 CO 0.62 0.27 0.36 -0.90 -1.33 0.00 0.00 177.39 176.41 2kn2 n ASP 57 N -0.92 1.56 -4.06 -1.43 5.68 -1.26 -5.01 116.55 111.11 2kn2 n ASP 57 Ca 0.05 -1.30 -0.29 0.00 -0.50 0.00 0.00 54.79 52.76 2kn2 n ASP 57 Cb 0.34 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 2kn2 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kn2 n GLY 58 N 0.32 -0.27 0.85 6.12 0.00 -1.26 -4.83 105.19 106.13 2kn2 n GLY 58 Ca 0.04 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.35 2kn2 n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kn2 n ASP 59 N -2.90 2.56 0.00 1.61 5.75 -1.26 -4.90 116.55 117.41 2kn2 n ASP 59 Ca -0.29 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 2kn2 n ASP 59 Cb 0.68 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2kn2 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kn2 n GLY 60 N 1.31 0.82 3.19 6.12 0.00 -1.26 -4.98 105.19 110.39 2kn2 n GLY 60 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2kn2 n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kn2 s GLN 61 N -0.11 0.94 -0.10 1.61 -1.52 -1.26 -4.66 119.66 114.56 2kn2 s GLN 61 Ca 0.00 -1.42 0.03 0.00 -1.95 0.00 0.00 55.36 52.02 2kn2 s GLN 61 Cb 0.00 -0.13 0.01 0.00 -0.22 0.00 0.00 33.01 32.67 2kn2 s GLN 61 CO 0.00 -0.11 -0.20 0.08 -0.25 0.00 0.00 175.29 174.81 2kn2 s VAL 62 N -3.73 1.82 0.44 1.09 1.01 -0.21 -4.81 120.40 116.02 2kn2 s VAL 62 Ca 0.18 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2kn2 s VAL 62 Cb 0.06 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2kn2 s VAL 62 CO -0.01 0.51 0.68 0.54 0.00 0.00 0.00 175.10 176.82 2kn2 s ASN 63 N 0.58 6.04 0.40 3.32 2.20 -1.26 -1.36 114.94 124.87 2kn2 s ASN 63 Ca -0.14 0.52 0.16 0.00 -0.94 0.00 0.00 52.86 52.45 2kn2 s ASN 63 Cb -0.17 -1.86 1.03 0.00 -2.00 0.00 0.00 41.25 38.25 2kn2 s ASN 63 CO 0.05 -0.59 1.86 0.22 -2.94 0.00 0.00 177.10 175.70 2kn2 h TYR 64 N 0.41 0.60 -0.41 1.54 3.20 -1.99 0.08 116.97 120.40 2kn2 h TYR 64 Ca -0.47 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 2kn2 h TYR 64 Cb 1.23 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 2kn2 h TYR 64 CO 0.50 0.17 0.21 0.93 -1.64 0.00 0.00 178.16 178.33 2kn2 h GLU 65 N 0.47 0.59 -0.32 1.82 5.08 -1.96 0.43 114.58 120.68 2kn2 h GLU 65 Ca 0.46 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.63 2kn2 h GLU 65 Cb 1.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2kn2 h GLU 65 CO -0.19 0.50 -0.27 0.93 -1.00 0.00 0.00 179.01 178.98 2kn2 h GLU 66 N 0.53 0.65 0.05 2.33 5.08 -1.37 -0.94 114.58 120.92 2kn2 h GLU 66 Ca 0.14 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2kn2 h GLU 66 Cb 0.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kn2 h GLU 66 CO -0.02 0.85 -0.03 0.35 -1.00 0.00 0.00 179.01 179.17 2kn2 h PHE 67 N 0.56 -0.07 -0.05 4.33 3.57 -0.78 -1.78 116.94 122.72 2kn2 h PHE 67 Ca 0.07 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2kn2 h PHE 67 Cb 0.76 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 2kn2 h PHE 67 CO 0.03 0.45 0.02 -0.24 -2.23 0.00 0.00 178.31 176.34 2kn2 h VAL 68 N -0.63 1.14 -0.67 1.41 3.04 -0.16 0.17 116.25 120.54 2kn2 h VAL 68 Ca -0.01 -0.42 0.01 0.00 -1.01 0.00 0.00 66.70 65.27 2kn2 h VAL 68 Cb 0.55 1.33 -0.03 0.00 -2.01 0.00 0.00 31.29 31.13 2kn2 h VAL 68 CO 0.01 0.12 0.44 0.07 -1.01 0.00 0.00 177.57 177.20 2kn2 h LYS 69 N -0.08 0.88 -0.36 4.17 2.10 -1.27 -1.73 116.57 120.27 2kn2 h LYS 69 Ca 0.02 -0.05 -0.09 0.00 -2.00 0.00 0.00 60.65 58.53 2kn2 h LYS 69 Cb 0.17 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 31.29 2kn2 h LYS 69 CO -0.00 0.58 -0.14 0.52 -2.00 0.00 0.00 179.45 178.40 2kn2 h MET 70 N 0.90 0.64 -0.51 0.07 2.86 -1.14 -2.04 114.93 115.72 2kn2 h MET 70 Ca 0.25 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2kn2 h MET 70 Cb -0.09 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2kn2 h MET 70 CO -0.06 0.76 0.30 0.52 1.06 0.00 0.00 176.91 179.48 2kn2 h MET 71 N 0.58 0.69 0.00 1.72 2.86 0.19 -1.20 114.93 119.77 2kn2 h MET 71 Ca 0.10 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.54 2kn2 h MET 71 Cb 0.58 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.11 2kn2 h MET 71 CO 0.04 0.49 -0.54 0.52 1.06 0.00 0.00 176.91 178.48 2kn2 h MET 72 N 0.70 0.36 0.00 1.72 2.86 -1.08 -3.22 114.93 116.27 2kn2 h MET 72 Ca 0.18 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2kn2 h MET 72 Cb -0.01 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2kn2 h MET 72 CO -0.03 1.07 -0.01 1.15 1.06 0.00 0.00 176.91 180.14 2kn2 h THR 73 N -0.19 0.70 0.00 2.22 2.02 -1.05 0.61 112.91 117.22 2kn2 h THR 73 Ca -0.07 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2kn2 h THR 73 Cb 1.26 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2kn2 h THR 73 CO 0.11 0.01 0.00 0.52 0.37 0.00 0.00 175.52 176.53 2kn2 n VAL 74 N -4.07 1.42 0.30 3.16 0.31 -0.48 -1.72 118.33 117.25 2kn2 n VAL 74 Ca -0.03 0.38 0.07 0.00 -0.01 0.00 0.00 64.34 64.76 2kn2 n VAL 74 Cb 0.10 -1.26 0.39 0.00 -0.91 0.00 0.00 33.84 32.15 2kn2 n VAL 74 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2kn2 h ARG 75 N 0.00 0.00 0.00 5.55 2.47 -1.02 -3.40 114.38 117.98 2kn2 h ARG 75 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kn2 h ARG 75 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2kn2 h ARG 75 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 2kn2 n GLY 76 N -1.34 0.00 1.02 0.04 0.00 -1.14 -5.01 105.19 98.75 2kn2 n GLY 76 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2kn2 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kn2 n GLY 77 N 0.00 1.44 0.00 -0.02 0.00 -0.70 -4.97 105.19 100.94 2kn2 n GLY 77 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2kn2 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kn2 n GLY 78 N 1.33 -1.14 5.02 -0.02 0.00 -1.22 -5.01 105.19 104.14 2kn2 n GLY 78 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2kn2 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kn2 n GLY 79 N 0.00 -0.09 0.00 -0.02 0.00 -1.25 -4.80 105.19 99.03 2kn2 n GLY 79 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2kn2 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kn2 n GLY 80 N 0.00 0.66 0.11 -0.02 0.00 -1.26 -4.58 105.19 100.10 2kn2 n GLY 80 Ca 0.00 -2.16 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 2kn2 n GLY 80 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2kn2 h ASN 81 N 0.00 0.38 -0.00 1.61 2.35 -1.98 -2.88 115.58 115.07 2kn2 h ASN 81 Ca 0.00 -0.93 -0.01 0.00 -0.55 0.00 0.00 56.30 54.82 2kn2 h ASN 81 Cb 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2kn2 h ASN 81 CO 0.00 1.40 -0.02 1.23 -1.65 0.00 0.00 177.43 178.39 2kn2 h GLY 82 N -0.38 0.02 0.73 2.83 0.00 -1.90 -2.43 103.07 101.94 2kn2 h GLY 82 Ca -0.16 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.20 2kn2 h GLY 82 CO 0.11 0.03 0.60 1.49 0.00 0.00 0.00 176.54 178.76 2kn2 h TRP 83 N -0.73 1.12 -0.27 5.60 4.06 -1.81 -0.67 115.95 123.25 2kn2 h TRP 83 Ca -0.00 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 2kn2 h TRP 83 Cb 0.78 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 2kn2 h TRP 83 CO 0.19 0.57 -0.16 0.66 -3.56 0.00 0.00 178.44 176.15 2kn2 h SER 84 N 1.09 0.45 -0.50 -3.49 4.64 -1.56 -1.56 113.55 112.63 2kn2 h SER 84 Ca 0.41 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 2kn2 h SER 84 Cb 0.17 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2kn2 h SER 84 CO -0.17 0.63 0.22 0.03 -0.87 0.00 0.00 176.83 176.67 2kn2 h ARG 85 N 0.42 0.72 -0.29 4.77 3.08 -0.62 0.58 114.38 123.04 2kn2 h ARG 85 Ca 0.08 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 2kn2 h ARG 85 Cb 0.52 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2kn2 h ARG 85 CO 0.03 0.62 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.12 2kn2 h LEU 86 N 0.66 0.70 -0.06 3.04 4.07 -1.19 -2.67 115.31 119.85 2kn2 h LEU 86 Ca 0.17 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.83 2kn2 h LEU 86 Cb 0.15 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2kn2 h LEU 86 CO -0.02 0.99 0.00 0.54 -1.08 0.00 0.00 178.44 178.87 2kn2 n ARG 87 N -4.05 0.26 -0.02 1.13 5.12 -0.60 -3.13 116.66 115.37 2kn2 n ARG 87 Ca -0.01 0.23 -0.16 0.00 -1.93 0.00 0.00 57.85 55.98 2kn2 n ARG 87 Cb 0.50 -1.81 -0.11 0.00 -1.16 0.00 0.00 32.46 29.88 2kn2 n ARG 87 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2kn2 h ARG 88 N 0.00 0.25 -2.67 5.56 2.43 0.48 -3.42 114.38 117.01 2kn2 h ARG 88 Ca 0.00 -0.27 -0.56 0.00 -0.81 0.00 0.00 59.98 58.34 2kn2 h ARG 88 Cb 0.71 0.08 -0.39 0.00 -0.42 0.00 0.00 29.97 29.94 2kn2 h ARG 88 CO 0.00 0.99 -0.82 0.21 -1.51 0.00 0.00 179.97 178.84 2kn2 s LYS 89 N -3.13 0.42 0.30 0.20 2.20 -1.08 -5.09 119.74 113.56 2kn2 s LYS 89 Ca -0.15 -1.03 0.03 0.00 -0.36 0.00 0.00 55.97 54.46 2kn2 s LYS 89 Cb 0.02 -1.26 0.03 0.00 -1.51 0.00 0.00 37.83 35.12 2kn2 s LYS 89 CO 0.77 -1.14 0.29 0.34 -0.36 0.00 0.00 175.35 175.25 2kn2 n PHE 90 N 4.49 -1.57 -4.01 4.03 -0.00 -1.18 -4.79 117.46 114.43 2kn2 n PHE 90 Ca 0.05 -1.20 -0.09 0.00 -0.00 0.00 0.00 57.45 56.22 2kn2 n PHE 90 Cb 0.39 -0.26 -0.11 0.00 -0.00 0.00 0.00 39.48 39.50 2kn2 n PHE 90 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2kn2 s SER 91 N -2.78 0.32 0.00 -2.13 0.01 -1.26 -5.14 113.70 102.72 2kn2 s SER 91 Ca 0.22 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2kn2 s SER 91 Cb -0.02 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2kn2 s SER 91 CO 0.14 -0.37 0.00 -1.54 0.41 0.00 0.00 173.24 171.88