#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl8 s GLU 2 N 0.00 4.13 -0.33 0.03 2.02 0.06 -3.12 118.70 121.48 2kl8 s GLU 2 Ca 0.00 0.20 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 2kl8 s GLU 2 Cb 0.00 -3.37 0.07 0.00 0.10 0.00 0.00 34.13 30.93 2kl8 s GLU 2 CO 0.00 0.36 0.06 1.41 0.02 0.00 0.00 175.26 177.11 2kl8 s MET 3 N 0.05 2.25 -0.43 1.61 1.75 0.63 -0.22 119.30 124.94 2kl8 s MET 3 Ca 0.19 -1.46 -0.15 0.00 -1.25 0.00 0.00 55.69 53.02 2kl8 s MET 3 Cb -0.14 -3.30 0.04 0.00 2.84 0.00 0.00 34.83 34.27 2kl8 s MET 3 CO 0.07 -0.77 0.34 0.34 -0.65 0.00 0.00 175.02 174.36 2kl8 s ASP 4 N 1.39 6.13 -0.21 1.11 -1.08 -0.36 -0.43 116.67 123.23 2kl8 s ASP 4 Ca -0.00 -1.02 -0.00 0.00 -0.52 0.00 0.00 52.55 51.01 2kl8 s ASP 4 Cb -0.21 -2.17 0.05 0.00 -1.46 0.00 0.00 42.92 39.13 2kl8 s ASP 4 CO -0.02 -0.53 -0.04 -0.63 0.52 0.00 0.00 175.17 174.47 2kl8 s ILE 5 N 1.72 1.27 -0.19 4.11 1.01 0.61 -0.49 121.20 129.23 2kl8 s ILE 5 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2kl8 s ILE 5 Cb -0.20 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.75 2kl8 s ILE 5 CO 0.09 -0.03 -0.17 0.00 0.00 0.00 0.00 174.94 174.83 2kl8 s ARG 6 N 1.53 3.05 0.27 2.79 1.70 -0.16 -0.10 118.95 128.04 2kl8 s ARG 6 Ca -0.03 -0.80 -0.03 0.00 -0.47 0.00 0.00 55.73 54.41 2kl8 s ARG 6 Cb -0.17 -2.67 -0.05 0.00 -0.57 0.00 0.00 34.95 31.49 2kl8 s ARG 6 CO -0.07 -0.22 0.50 -0.06 -1.08 0.00 0.00 175.30 174.37 2kl8 s PHE 7 N 1.33 3.48 -0.15 5.89 0.40 0.41 -1.87 117.98 127.46 2kl8 s PHE 7 Ca 0.05 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 2kl8 s PHE 7 Cb -0.13 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.44 2kl8 s PHE 7 CO -0.11 0.23 -0.15 0.50 0.70 0.00 0.00 175.22 176.40 2kl8 s ARG 8 N -3.60 2.36 -0.05 0.44 3.52 -0.22 0.48 118.95 121.87 2kl8 s ARG 8 Ca 0.41 -0.58 0.06 0.00 -0.13 0.00 0.00 55.73 55.49 2kl8 s ARG 8 Cb -0.11 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.13 2kl8 s ARG 8 CO 0.31 -0.23 -0.24 0.20 -0.81 0.00 0.00 175.30 174.52 2kl8 s GLY 9 N 1.47 1.24 0.04 8.12 0.00 -0.81 -3.83 107.32 113.56 2kl8 s GLY 9 Ca 0.05 -1.00 -0.18 0.00 0.00 0.00 0.00 44.72 43.59 2kl8 s GLY 9 CO -0.11 -0.61 1.23 -0.55 0.00 0.00 0.00 173.10 173.06 2kl8 h ASP 10 N 6.08 0.61 -3.19 1.64 5.19 -1.96 -3.46 116.42 121.33 2kl8 h ASP 10 Ca -0.32 -0.64 -0.07 0.00 -0.62 0.00 0.00 57.03 55.38 2kl8 h ASP 10 Cb 1.18 -0.18 0.02 0.00 0.18 0.00 0.00 39.33 40.52 2kl8 h ASP 10 CO 0.47 1.15 0.03 -0.90 -3.12 0.00 0.00 179.24 176.87 2kl8 n ASP 11 N -4.24 0.15 -0.11 6.45 5.75 -1.26 -5.08 116.55 118.20 2kl8 n ASP 11 Ca -0.08 -1.14 -0.22 0.00 -0.01 0.00 0.00 54.79 53.34 2kl8 n ASP 11 Cb 0.59 -0.12 -0.09 0.00 -1.03 0.00 0.00 41.12 40.48 2kl8 n ASP 11 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2kl8 n LEU 12 N 0.00 1.91 0.27 -2.12 7.94 -1.26 -4.54 117.00 119.20 2kl8 n LEU 12 Ca 0.03 0.39 0.12 0.00 -1.11 0.00 0.00 56.01 55.44 2kl8 n LEU 12 Cb 0.09 -0.86 0.76 0.00 0.53 0.00 0.00 43.42 43.95 2kl8 n LEU 12 CO 0.06 0.25 1.05 1.05 -1.11 0.00 0.00 177.39 178.69 2kl8 h GLU 13 N -1.00 0.00 -0.68 1.96 4.11 -2.00 -1.26 114.58 115.70 2kl8 h GLU 13 Ca -0.42 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.19 2kl8 h GLU 13 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2kl8 h GLU 13 CO -0.26 0.05 0.48 0.00 0.07 0.00 0.00 179.01 179.36 2kl8 h ALA 14 N 1.95 2.51 0.78 1.06 0.00 -1.99 0.54 119.26 124.10 2kl8 h ALA 14 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kl8 h ALA 14 Cb 0.12 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kl8 h ALA 14 CO 0.01 -0.71 -0.38 0.35 0.00 0.00 0.00 179.25 178.51 2kl8 h PHE 15 N 0.09 -1.00 0.08 0.00 3.57 -1.49 -2.63 116.94 115.56 2kl8 h PHE 15 Ca 0.33 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 2kl8 h PHE 15 Cb 1.18 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.25 2kl8 h PHE 15 CO -0.00 -0.61 -0.04 0.93 -2.23 0.00 0.00 178.31 176.36 2kl8 h GLU 16 N -1.06 -0.10 0.10 1.11 5.08 -1.37 -2.38 114.58 115.96 2kl8 h GLU 16 Ca -0.11 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2kl8 h GLU 16 Cb 0.82 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2kl8 h GLU 16 CO 0.17 0.22 -0.25 0.87 -1.00 0.00 0.00 179.01 179.01 2kl8 h LYS 17 N -0.44 -0.43 0.15 2.33 1.79 -1.05 0.12 116.57 119.04 2kl8 h LYS 17 Ca -0.01 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2kl8 h LYS 17 Cb 0.37 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2kl8 h LYS 17 CO 0.02 -0.29 -0.07 0.00 -1.08 0.00 0.00 179.45 178.02 2kl8 h ALA 18 N 0.30 -0.21 -0.32 3.86 0.00 -1.56 -2.83 119.26 118.50 2kl8 h ALA 18 Ca 0.03 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kl8 h ALA 18 Cb 0.49 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2kl8 h ALA 18 CO -0.16 -0.50 0.05 1.25 0.00 0.00 0.00 179.25 179.89 2kl8 h LEU 19 N -0.44 -0.02 -0.79 0.00 5.85 -1.36 -2.74 115.31 115.82 2kl8 h LEU 19 Ca -0.02 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2kl8 h LEU 19 Cb 0.35 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2kl8 h LEU 19 CO 0.03 0.03 0.38 0.50 -0.34 0.00 0.00 178.44 179.04 2kl8 h LYS 20 N 0.16 1.13 0.16 1.25 1.63 -0.99 -1.13 116.57 118.79 2kl8 h LYS 20 Ca 0.15 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2kl8 h LYS 20 Cb 0.18 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 2kl8 h LYS 20 CO -0.21 0.88 -0.08 0.93 -3.45 0.00 0.00 179.45 177.52 2kl8 h GLU 21 N 1.11 -0.21 -0.56 1.90 4.39 -1.28 0.11 114.58 120.04 2kl8 h GLU 21 Ca 0.27 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.00 2kl8 h GLU 21 Cb 0.12 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2kl8 h GLU 21 CO -0.03 -0.13 0.36 0.52 -1.16 0.00 0.00 179.01 178.56 2kl8 h MET 22 N -0.22 0.70 -0.71 2.33 2.86 -1.32 -1.81 114.93 116.77 2kl8 h MET 22 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2kl8 h MET 22 Cb 0.17 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2kl8 h MET 22 CO 0.04 0.46 0.45 0.82 1.06 0.00 0.00 176.91 179.73 2kl8 h ILE 23 N 0.72 1.19 0.19 -1.22 2.04 -1.04 -0.95 117.51 118.44 2kl8 h ILE 23 Ca 0.22 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2kl8 h ILE 23 Cb -0.04 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 2kl8 h ILE 23 CO -0.07 0.19 -0.19 -0.09 0.00 0.00 0.00 178.15 177.99 2kl8 h ARG 24 N 0.96 -0.40 -0.39 2.37 2.43 0.08 -0.19 114.38 119.24 2kl8 h ARG 24 Ca 0.26 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.34 2kl8 h ARG 24 Cb -0.07 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2kl8 h ARG 24 CO -0.05 -0.26 -0.21 1.96 -1.51 0.00 0.00 179.97 179.89 2kl8 h GLN 25 N -0.41 0.84 -0.51 0.20 7.50 -1.38 -3.30 115.11 118.06 2kl8 h GLN 25 Ca 0.00 -0.38 -0.03 0.00 0.50 0.00 0.00 58.65 58.74 2kl8 h GLN 25 Cb 0.38 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 2kl8 h GLN 25 CO -0.04 1.01 0.18 0.00 -1.50 0.00 0.00 178.83 178.48 2kl8 h ALA 26 N 0.80 0.66 0.00 3.87 0.00 -1.02 -2.87 119.26 120.70 2kl8 h ALA 26 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kl8 h ALA 26 Cb 0.77 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2kl8 h ALA 26 CO 0.06 0.29 -0.00 0.00 0.00 0.00 0.00 179.25 179.60 2kl8 h ARG 27 N 0.68 0.00 -0.07 0.00 3.08 -1.10 0.30 114.38 117.27 2kl8 h ARG 27 Ca 0.17 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.24 2kl8 h ARG 27 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2kl8 h ARG 27 CO -0.01 0.00 0.11 -0.22 -1.07 0.00 0.00 179.97 178.78 2kl8 h LYS 28 N 0.00 0.00 0.00 0.04 3.64 -1.58 -3.44 116.57 115.23 2kl8 h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kl8 h LYS 28 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kl8 h LYS 28 CO 0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 2kl8 n PHE 29 N -3.60 -0.40 1.52 1.91 3.72 0.09 -5.01 117.46 115.69 2kl8 n PHE 29 Ca -0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.42 2kl8 n PHE 29 Cb 0.20 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.82 2kl8 n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kl8 n ALA 30 N -3.00 2.48 -1.93 4.37 0.00 -1.26 -4.82 120.51 116.35 2kl8 n ALA 30 Ca 0.00 -0.27 -0.24 0.00 0.00 0.00 0.00 53.44 52.93 2kl8 n ALA 30 Cb 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2kl8 n ALA 30 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kl8 s GLY 31 N -1.02 -0.12 -0.19 0.00 0.00 -1.04 -4.53 107.32 100.42 2kl8 s GLY 31 Ca 0.11 -1.53 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 2kl8 s GLY 31 CO 0.07 3.71 1.49 -1.59 0.00 0.00 0.00 173.10 176.78 2kl8 s THR 32 N 11.76 3.89 -0.23 0.90 2.01 0.38 -4.32 115.64 130.02 2kl8 s THR 32 Ca 0.75 1.03 -0.11 0.00 0.31 0.00 0.00 61.69 63.67 2kl8 s THR 32 Cb -0.06 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 2kl8 s THR 32 CO 0.06 -0.25 0.19 -0.69 -0.69 0.00 0.00 174.62 173.24 2kl8 s VAL 33 N 4.45 5.34 -0.03 3.82 1.01 -1.26 -0.20 120.40 133.53 2kl8 s VAL 33 Ca 0.65 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.96 2kl8 s VAL 33 Cb -0.24 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2kl8 s VAL 33 CO 0.25 0.34 -0.24 0.28 0.00 0.00 0.00 175.10 175.72 2kl8 s THR 34 N 1.07 1.93 -0.02 3.92 -1.32 -0.47 -5.00 115.64 115.76 2kl8 s THR 34 Ca 0.09 -1.03 0.02 0.00 -1.21 0.00 0.00 61.69 59.56 2kl8 s THR 34 Cb -0.14 -1.62 0.00 0.00 -1.51 0.00 0.00 72.50 69.24 2kl8 s THR 34 CO 0.05 0.54 -0.07 -0.72 -2.21 0.00 0.00 174.62 172.21 2kl8 s TYR 35 N -0.43 0.70 -0.02 9.09 1.13 -1.26 -0.49 117.35 126.07 2kl8 s TYR 35 Ca 0.05 -0.15 0.06 0.00 -1.41 0.00 0.00 57.07 55.62 2kl8 s TYR 35 Cb -0.11 -0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 40.24 2kl8 s TYR 35 CO 0.00 -0.06 -0.20 0.95 -2.51 0.00 0.00 175.55 173.73 2kl8 s THR 36 N 0.12 1.60 -0.15 -3.49 -4.23 -0.43 -4.96 115.64 104.11 2kl8 s THR 36 Ca -0.01 -0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 59.60 2kl8 s THR 36 Cb -0.06 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.41 2kl8 s THR 36 CO -0.00 0.45 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.75 2kl8 s LEU 37 N -0.38 3.37 -0.11 4.79 2.01 -1.26 -1.24 118.68 125.87 2kl8 s LEU 37 Ca 0.05 -0.06 -0.04 0.00 0.01 0.00 0.00 54.13 54.09 2kl8 s LEU 37 Cb -0.09 -1.81 0.06 0.00 0.01 0.00 0.00 46.19 44.36 2kl8 s LEU 37 CO -0.00 0.20 0.21 -0.62 1.01 0.00 0.00 176.35 177.15 2kl8 s ASP 38 N 0.16 0.57 0.00 2.29 2.15 -1.04 -5.02 116.67 115.78 2kl8 s ASP 38 Ca -0.00 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.43 2kl8 s ASP 38 Cb -0.13 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 2kl8 s ASP 38 CO 0.02 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 2kl8 n GLY 39 N 5.34 0.69 0.04 2.66 0.00 -1.26 -1.09 105.19 111.56 2kl8 n GLY 39 Ca -0.05 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2kl8 n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kl8 n ASN 40 N 3.10 0.00 -4.64 1.61 6.94 -1.26 -5.08 115.26 115.92 2kl8 n ASN 40 Ca 0.00 -1.06 -0.38 0.00 -0.02 0.00 0.00 54.58 53.12 2kl8 n ASN 40 Cb 0.00 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.33 2kl8 n ASN 40 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2kl8 s ASP 41 N -0.06 6.33 -0.52 0.53 1.11 -0.25 -1.92 116.67 121.90 2kl8 s ASP 41 Ca 0.00 0.38 -0.18 0.00 0.18 0.00 0.00 52.55 52.94 2kl8 s ASP 41 Cb 0.00 -2.21 0.08 0.00 1.07 0.00 0.00 42.92 41.85 2kl8 s ASP 41 CO 0.00 -0.12 0.56 -0.22 1.18 0.00 0.00 175.17 176.57 2kl8 s LEU 42 N 1.66 5.34 -0.55 1.23 2.96 0.18 -2.49 118.68 127.00 2kl8 s LEU 42 Ca 0.16 -1.20 -0.22 0.00 -0.22 0.00 0.00 54.13 52.66 2kl8 s LEU 42 Cb -0.15 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 44.27 2kl8 s LEU 42 CO 0.08 -0.86 0.81 -1.61 -1.32 0.00 0.00 176.35 173.45 2kl8 s GLU 43 N 2.27 3.20 -0.38 1.98 2.02 -0.37 -0.45 118.70 126.98 2kl8 s GLU 43 Ca 0.10 -0.65 -0.10 0.00 0.02 0.00 0.00 54.97 54.34 2kl8 s GLU 43 Cb -0.22 -4.11 0.04 0.00 0.10 0.00 0.00 34.13 29.93 2kl8 s GLU 43 CO 0.09 -1.44 0.20 0.42 0.02 0.00 0.00 175.26 174.55 2kl8 s ILE 44 N 3.39 4.45 -0.27 -1.63 1.01 0.86 -1.31 121.20 127.70 2kl8 s ILE 44 Ca 0.22 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2kl8 s ILE 44 Cb -0.16 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.80 2kl8 s ILE 44 CO 0.14 -0.27 0.01 -0.60 0.00 0.00 0.00 174.94 174.22 2kl8 s ARG 45 N 1.52 2.98 -0.03 2.79 3.52 0.36 -0.29 118.95 129.80 2kl8 s ARG 45 Ca 0.02 -0.90 -0.16 0.00 -0.13 0.00 0.00 55.73 54.56 2kl8 s ARG 45 Cb -0.20 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 2kl8 s ARG 45 CO 0.06 -0.41 0.42 0.42 -0.81 0.00 0.00 175.30 174.98 2kl8 s ILE 46 N 1.41 5.07 -0.11 4.11 1.01 0.43 -1.36 121.20 131.77 2kl8 s ILE 46 Ca 0.02 0.86 0.02 0.00 0.00 0.00 0.00 60.65 61.54 2kl8 s ILE 46 Cb -0.17 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2kl8 s ILE 46 CO -0.01 0.51 -0.15 -0.89 0.00 0.00 0.00 174.94 174.40 2kl8 s THR 47 N -0.59 1.47 0.00 2.92 2.01 0.72 -0.27 115.64 121.91 2kl8 s THR 47 Ca 0.24 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2kl8 s THR 47 Cb -0.16 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.00 2kl8 s THR 47 CO 0.12 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 2kl8 n GLY 48 N 4.23 0.87 3.43 4.40 0.00 -1.18 -0.47 105.19 116.46 2kl8 n GLY 48 Ca -0.19 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 2kl8 n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kl8 s VAL 49 N -2.66 2.62 0.21 1.61 -7.23 -1.26 -2.51 120.40 111.17 2kl8 s VAL 49 Ca 0.00 -1.22 -0.32 0.00 -1.81 0.00 0.00 61.98 58.63 2kl8 s VAL 49 Cb 0.00 -2.08 -0.11 0.00 0.56 0.00 0.00 36.38 34.75 2kl8 s VAL 49 CO 0.00 0.36 1.65 -2.16 -0.31 0.00 0.00 175.10 174.64 2kl8 s PRO 50 N -1.34 4.16 0.55 4.82 0.04 -1.26 -4.85 135.00 137.11 2kl8 s PRO 50 Ca 0.14 2.52 0.23 0.00 0.04 0.00 0.00 61.00 63.93 2kl8 s PRO 50 Cb -0.10 -3.09 1.45 0.00 0.04 0.00 0.00 34.50 32.79 2kl8 s PRO 50 CO 0.04 -0.68 2.08 1.05 0.04 0.00 0.00 177.00 179.53 2kl8 h GLU 51 N 6.53 0.00 -0.40 4.56 4.11 -1.99 0.70 114.58 128.09 2kl8 h GLU 51 Ca -0.43 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.87 2kl8 h GLU 51 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2kl8 h GLU 51 CO 0.92 0.00 -0.25 -0.56 0.07 0.00 0.00 179.01 179.20 2kl8 h GLN 52 N 0.00 0.81 0.00 1.06 3.07 -2.03 -3.06 115.11 114.96 2kl8 h GLN 52 Ca 0.11 -0.34 -0.13 0.00 0.09 0.00 0.00 58.65 58.38 2kl8 h GLN 52 Cb 0.50 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.01 2kl8 h GLN 52 CO -0.00 0.97 -0.64 0.28 0.09 0.00 0.00 178.83 179.53 2kl8 h VAL 53 N 0.70 1.18 -1.02 1.86 2.07 -1.28 -3.22 116.25 116.54 2kl8 h VAL 53 Ca 0.09 -2.44 0.25 0.00 0.82 0.00 0.00 66.70 65.42 2kl8 h VAL 53 Cb 0.77 2.43 -0.11 0.00 -1.52 0.00 0.00 31.29 32.86 2kl8 h VAL 53 CO 0.06 0.63 0.62 -0.09 0.02 0.00 0.00 177.57 178.81 2kl8 h ARG 54 N 0.00 0.52 -0.09 1.57 2.43 -1.16 -0.38 114.38 117.27 2kl8 h ARG 54 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2kl8 h ARG 54 Cb 1.38 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2kl8 h ARG 54 CO 0.08 0.34 0.06 0.87 -1.51 0.00 0.00 179.97 179.82 2kl8 h LYS 55 N 0.54 0.12 -0.48 0.20 1.79 -1.63 -2.67 116.57 114.43 2kl8 h LYS 55 Ca 0.62 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.99 2kl8 h LYS 55 Cb 1.29 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.89 2kl8 h LYS 55 CO -0.40 0.09 -0.07 0.93 -1.08 0.00 0.00 179.45 178.92 2kl8 h GLU 56 N 0.12 0.90 -0.65 3.15 4.39 -1.27 -1.44 114.58 119.77 2kl8 h GLU 56 Ca 0.03 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 2kl8 h GLU 56 Cb -0.00 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2kl8 h GLU 56 CO -0.01 0.97 0.37 -0.07 -1.16 0.00 0.00 179.01 179.11 2kl8 h LEU 57 N 0.75 0.80 -0.49 1.33 3.38 -1.30 0.40 115.31 120.18 2kl8 h LEU 57 Ca 0.13 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2kl8 h LEU 57 Cb 0.61 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2kl8 h LEU 57 CO 0.04 0.65 0.14 0.00 0.09 0.00 0.00 178.44 179.36 2kl8 h ALA 58 N 1.18 0.64 -0.06 1.53 0.00 -1.37 -1.69 119.26 119.49 2kl8 h ALA 58 Ca 0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2kl8 h ALA 58 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2kl8 h ALA 58 CO -0.04 0.32 -0.37 -0.22 0.00 0.00 0.00 179.25 178.93 2kl8 h LYS 59 N 0.66 0.12 -0.11 0.00 3.64 -0.88 -2.39 116.57 117.61 2kl8 h LYS 59 Ca 0.16 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 2kl8 h LYS 59 Cb 0.30 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2kl8 h LYS 59 CO -0.00 0.48 -0.52 1.49 -2.27 0.00 0.00 179.45 178.62 2kl8 h GLU 60 N 0.10 0.30 -0.59 1.90 4.81 -0.01 -1.95 114.58 119.15 2kl8 h GLU 60 Ca 0.01 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2kl8 h GLU 60 Cb 0.71 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 2kl8 h GLU 60 CO 0.05 0.75 0.37 0.00 -0.73 0.00 0.00 179.01 179.45 2kl8 h ALA 61 N 1.21 0.75 -0.84 2.92 0.00 -0.82 0.19 119.26 122.68 2kl8 h ALA 61 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kl8 h ALA 61 Cb 1.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2kl8 h ALA 61 CO 0.08 0.12 0.55 0.93 0.00 0.00 0.00 179.25 180.93 2kl8 h GLU 62 N 0.73 1.10 -0.23 0.00 5.08 -1.26 -1.54 114.58 118.46 2kl8 h GLU 62 Ca 0.23 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2kl8 h GLU 62 Cb -0.01 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 2kl8 h GLU 62 CO -0.08 0.73 0.03 -0.09 -1.00 0.00 0.00 179.01 178.60 2kl8 h ARG 63 N 1.13 0.12 -0.99 2.33 2.43 -0.69 -1.48 114.38 117.22 2kl8 h ARG 63 Ca 0.31 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.51 2kl8 h ARG 63 Cb -0.13 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.34 2kl8 h ARG 63 CO -0.07 0.08 0.65 -0.07 -1.51 0.00 0.00 179.97 179.04 2kl8 h LEU 64 N 0.12 1.07 -0.17 3.80 3.38 -0.65 0.42 115.31 123.28 2kl8 h LEU 64 Ca 0.11 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kl8 h LEU 64 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2kl8 h LEU 64 CO -0.15 0.73 0.05 0.00 0.09 0.00 0.00 178.44 179.16 2kl8 h ALA 65 N 1.41 0.18 -0.26 1.53 0.00 -0.81 -1.44 119.26 119.87 2kl8 h ALA 65 Ca 0.40 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 2kl8 h ALA 65 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kl8 h ALA 65 CO -0.13 -0.39 -0.11 0.87 0.00 0.00 0.00 179.25 179.49 2kl8 h LYS 66 N 0.12 0.43 0.47 0.00 1.79 -0.75 0.43 116.57 119.06 2kl8 h LYS 66 Ca 0.07 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2kl8 h LYS 66 Cb 0.05 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2kl8 h LYS 66 CO -0.08 0.55 -0.23 1.49 -1.08 0.00 0.00 179.45 180.10 2kl8 h GLU 67 N 0.40 -0.61 -0.14 3.15 4.57 -0.53 -3.21 114.58 118.22 2kl8 h GLU 67 Ca 0.08 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2kl8 h GLU 67 Cb 0.45 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2kl8 h GLU 67 CO 0.03 -0.35 0.00 1.19 -1.18 0.00 0.00 179.01 178.70 2kl8 n PHE 68 N -5.32 0.17 -2.64 0.92 3.72 -0.58 -4.93 117.46 108.79 2kl8 n PHE 68 Ca -0.11 -0.08 -0.21 0.00 -0.05 0.00 0.00 57.45 57.00 2kl8 n PHE 68 Cb 0.29 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.83 2kl8 n PHE 68 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2kl8 n ASN 69 N 0.65 -5.71 -4.94 4.37 4.13 0.14 -4.98 115.26 108.92 2kl8 n ASN 69 Ca 0.17 -0.10 -0.20 0.00 1.68 0.00 0.00 54.58 56.14 2kl8 n ASN 69 Cb 0.43 -4.71 -0.00 0.00 -1.54 0.00 0.00 39.78 33.96 2kl8 n ASN 69 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2kl8 s ILE 70 N -3.04 2.65 -0.07 2.41 -4.36 -0.44 -5.00 121.20 113.35 2kl8 s ILE 70 Ca 0.11 -1.19 -0.08 0.00 -0.26 0.00 0.00 60.65 59.23 2kl8 s ILE 70 Cb -0.05 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.77 2kl8 s ILE 70 CO 0.14 0.00 0.21 -0.89 0.24 0.00 0.00 174.94 174.64 2kl8 s THR 71 N -2.47 5.39 -0.07 8.37 2.01 -1.25 -4.66 115.64 122.96 2kl8 s THR 71 Ca 0.51 0.27 -0.10 0.00 0.31 0.00 0.00 61.69 62.68 2kl8 s THR 71 Cb -0.06 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.98 2kl8 s THR 71 CO 0.30 0.54 0.26 0.54 -0.69 0.00 0.00 174.62 175.58 2kl8 s VAL 72 N -1.11 0.02 0.09 3.82 0.11 -1.26 -1.06 120.40 121.01 2kl8 s VAL 72 Ca 0.20 -0.17 0.10 0.00 -2.93 0.00 0.00 61.98 59.17 2kl8 s VAL 72 Cb -0.13 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2kl8 s VAL 72 CO 0.09 -0.09 -0.24 0.42 -3.33 0.00 0.00 175.10 171.95 2kl8 s THR 73 N -0.31 2.42 -0.08 5.04 -4.23 -0.78 -4.98 115.64 112.72 2kl8 s THR 73 Ca -0.04 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 2kl8 s THR 73 Cb -0.03 -2.04 0.05 0.00 1.34 0.00 0.00 72.50 71.81 2kl8 s THR 73 CO 0.01 0.20 0.17 -0.72 -0.54 0.00 0.00 174.62 173.73 2kl8 s TYR 74 N -0.99 -0.20 0.02 3.99 1.13 -1.26 -0.99 117.35 119.05 2kl8 s TYR 74 Ca 0.14 0.60 0.04 0.00 -1.41 0.00 0.00 57.07 56.44 2kl8 s TYR 74 Cb -0.10 -0.17 -0.02 0.00 -1.10 0.00 0.00 41.96 40.57 2kl8 s TYR 74 CO 0.06 -0.24 -0.11 0.99 -2.51 0.00 0.00 175.55 173.73 2kl8 s THR 75 N 1.87 0.89 -0.46 -3.49 2.01 0.36 -5.00 115.64 111.82 2kl8 s THR 75 Ca -0.02 -0.74 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 2kl8 s THR 75 Cb -0.12 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.66 2kl8 s THR 75 CO -0.06 0.06 0.38 -0.63 -0.69 0.00 0.00 174.62 173.68 2kl8 s ILE 76 N -0.63 5.19 -0.59 1.82 -1.09 -1.26 -1.22 121.20 123.42 2kl8 s ILE 76 Ca 0.01 -1.04 -0.26 0.00 -2.23 0.00 0.00 60.65 57.14 2kl8 s ILE 76 Cb -0.06 -4.08 0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2kl8 s ILE 76 CO 0.00 -0.55 1.07 -0.13 -1.23 0.00 0.00 174.94 174.10 2kl8 s ARG 77 N 1.64 3.37 -0.40 2.79 0.52 0.69 -4.97 118.95 122.58 2kl8 s ARG 77 Ca 0.04 -0.11 -0.20 0.00 -0.52 0.00 0.00 55.73 54.94 2kl8 s ARG 77 Cb -0.24 -4.06 0.01 0.00 0.52 0.00 0.00 34.95 31.18 2kl8 s ARG 77 CO 0.07 -1.64 0.63 -1.17 0.02 0.00 0.00 175.30 173.20 2kl8 s LEU 78 N 4.50 4.41 -0.12 2.53 1.98 -1.26 -0.76 118.68 129.96 2kl8 s LEU 78 Ca 0.35 -0.16 -0.18 0.00 -2.89 0.00 0.00 54.13 51.25 2kl8 s LEU 78 Cb -0.11 -2.73 -0.04 0.00 0.66 0.00 0.00 46.19 43.98 2kl8 s LEU 78 CO 0.20 -0.69 0.45 -0.70 -1.89 0.00 0.00 176.35 173.73 2kl8 s GLU 79 N 2.74 4.32 0.00 1.98 2.56 -1.26 -5.03 118.70 124.00 2kl8 s GLU 79 Ca 0.23 0.41 0.00 0.00 0.00 0.00 0.00 54.97 55.60 2kl8 s GLU 79 Cb -0.14 -3.43 0.00 0.00 2.00 0.00 0.00 34.13 32.56 2kl8 s GLU 79 CO 0.17 0.19 0.00 1.58 -0.56 0.00 0.00 175.26 176.64 2kl8 n HIS 80 N 3.59 0.00 -1.62 5.30 -0.00 -1.26 -4.81 115.22 116.43 2kl8 n HIS 80 Ca -0.08 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.82 2kl8 n HIS 80 Cb 0.52 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.34 2kl8 n HIS 80 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kl8 s HIS 81 N 0.00 1.16 -0.26 1.57 2.46 -1.26 -4.93 115.29 114.03 2kl8 s HIS 81 Ca 0.00 1.62 -0.09 0.00 0.47 0.00 0.00 55.06 57.06 2kl8 s HIS 81 Cb 0.00 -3.59 -0.04 0.00 -0.13 0.00 0.00 32.58 28.82 2kl8 s HIS 81 CO 0.00 -2.16 0.14 -1.58 -2.47 0.00 0.00 174.74 168.66 2kl8 s HIS 82 N 12.78 3.17 -0.42 3.88 5.04 -1.26 -5.04 115.29 133.43 2kl8 s HIS 82 Ca 0.93 -0.10 -0.27 0.00 -1.54 0.00 0.00 55.06 54.07 2kl8 s HIS 82 Cb -0.15 -2.31 -0.07 0.00 0.04 0.00 0.00 32.58 30.10 2kl8 s HIS 82 CO 0.18 -0.23 2.37 1.58 -2.34 0.00 0.00 174.74 176.31 2kl8 n HIS 83 N 4.93 1.56 -2.23 3.88 -0.00 -1.26 -4.93 115.22 117.18 2kl8 n HIS 83 Ca -0.15 0.06 -0.41 0.00 0.46 0.00 0.00 57.72 57.68 2kl8 n HIS 83 Cb 0.52 -2.66 -0.03 0.00 -0.12 0.00 0.00 29.99 27.70 2kl8 n HIS 83 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kl8 s HIS 84 N 11.17 3.24 -2.00 1.57 5.04 -1.26 -5.34 115.29 127.71 2kl8 s HIS 84 Ca 0.99 1.37 0.14 0.00 -1.54 0.00 0.00 55.06 56.02 2kl8 s HIS 84 Cb -0.23 -3.57 0.81 0.00 0.04 0.00 0.00 32.58 29.62 2kl8 s HIS 84 CO 0.29 -1.64 1.23 1.58 -2.34 0.00 0.00 174.74 173.86