#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 1.78 -0.13 2.12 2.12 -1.18 -0.92 118.70 122.49 2kl8 s GLU 2 Ca 0.00 -0.52 -0.01 0.00 0.36 0.00 0.00 54.97 54.80 2kl8 s GLU 2 Cb 0.00 -1.50 0.03 0.00 0.26 0.00 0.00 34.13 32.93 2kl8 s GLU 2 CO 0.00 0.13 -0.06 1.41 -0.54 0.00 0.00 175.26 176.21 2kl8 s MET 3 N 0.34 1.38 -0.35 4.30 -2.45 -0.67 -2.35 119.30 119.50 2kl8 s MET 3 Ca -0.10 -0.31 -0.15 0.00 -1.25 0.00 0.00 55.69 53.88 2kl8 s MET 3 Cb -0.14 -1.68 -0.01 0.00 1.25 0.00 0.00 34.83 34.25 2kl8 s MET 3 CO 0.03 -0.34 0.35 0.34 1.05 0.00 0.00 175.02 176.46 2kl8 s ASP 4 N 1.72 6.17 -0.22 1.11 -1.08 -0.09 -0.97 116.67 123.30 2kl8 s ASP 4 Ca 0.03 -0.31 0.02 0.00 -0.52 0.00 0.00 52.55 51.77 2kl8 s ASP 4 Cb -0.14 -2.19 0.05 0.00 -1.46 0.00 0.00 42.92 39.18 2kl8 s ASP 4 CO -0.08 -0.35 -0.12 -0.63 0.52 0.00 0.00 175.17 174.51 2kl8 s ILE 5 N 1.99 1.93 -0.10 4.11 1.01 0.44 -0.57 121.20 130.01 2kl8 s ILE 5 Ca 0.11 -1.26 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 2kl8 s ILE 5 Cb -0.17 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2kl8 s ILE 5 CO 0.12 0.15 0.00 0.00 0.00 0.00 0.00 174.94 175.20 2kl8 s ARG 6 N 1.26 3.14 -0.02 2.79 1.70 -0.33 -0.16 118.95 127.32 2kl8 s ARG 6 Ca -0.03 -0.42 0.03 0.00 -0.47 0.00 0.00 55.73 54.84 2kl8 s ARG 6 Cb -0.17 -2.84 -0.03 0.00 -0.57 0.00 0.00 34.95 31.34 2kl8 s ARG 6 CO -0.08 0.62 -0.09 -0.06 -1.08 0.00 0.00 175.30 174.61 2kl8 s PHE 7 N -0.64 2.83 -0.05 5.89 0.08 0.49 -2.32 117.98 124.26 2kl8 s PHE 7 Ca 0.10 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 2kl8 s PHE 7 Cb -0.12 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2kl8 s PHE 7 CO 0.02 0.31 0.11 0.50 -0.10 0.00 0.00 175.22 176.06 2kl8 s ARG 8 N -1.10 0.06 0.00 0.44 3.52 0.10 -0.84 118.95 121.13 2kl8 s ARG 8 Ca 0.14 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 2kl8 s ARG 8 Cb -0.11 -0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.14 2kl8 s ARG 8 CO 0.04 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 2kl8 n GLY 9 N 3.92 0.59 0.00 8.12 0.00 -1.13 -0.36 105.19 116.34 2kl8 n GLY 9 Ca -0.23 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.12 2kl8 n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kl8 n ASP 10 N -0.02 3.03 -4.65 1.61 2.03 -1.26 -4.79 116.55 112.51 2kl8 n ASP 10 Ca 0.00 -0.01 -0.42 0.00 0.52 0.00 0.00 54.79 54.88 2kl8 n ASP 10 Cb 0.00 1.39 -0.03 0.00 -0.72 0.00 0.00 41.12 41.76 2kl8 n ASP 10 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kl8 s ASP 11 N -2.97 6.42 0.04 1.67 1.11 -1.26 -4.93 116.67 116.75 2kl8 s ASP 11 Ca -0.03 2.26 -0.31 0.00 0.18 0.00 0.00 52.55 54.65 2kl8 s ASP 11 Cb 0.05 -2.53 -0.17 0.00 1.07 0.00 0.00 42.92 41.35 2kl8 s ASP 11 CO 0.35 -1.13 1.36 0.25 1.18 0.00 0.00 175.17 177.18 2kl8 h LEU 12 N 11.09 -0.94 -2.28 1.23 5.85 -2.00 -3.14 115.31 125.13 2kl8 h LEU 12 Ca -0.42 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2kl8 h LEU 12 Cb 1.20 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 2kl8 h LEU 12 CO 0.96 -0.62 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.34 2kl8 h GLU 13 N -1.20 0.00 -0.58 1.25 4.81 -2.02 -2.09 114.58 114.76 2kl8 h GLU 13 Ca -0.11 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.29 2kl8 h GLU 13 Cb 0.85 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2kl8 h GLU 13 CO 0.19 0.02 0.46 0.00 -0.73 0.00 0.00 179.01 178.94 2kl8 h ALA 14 N 1.98 2.47 0.66 2.92 0.00 -1.95 -0.28 119.26 125.06 2kl8 h ALA 14 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kl8 h ALA 14 Cb 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kl8 h ALA 14 CO 0.00 -0.76 -0.49 0.35 0.00 0.00 0.00 179.25 178.36 2kl8 h PHE 15 N 0.00 -1.33 0.00 0.00 3.57 -1.50 -0.74 116.94 116.95 2kl8 h PHE 15 Ca 0.28 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 2kl8 h PHE 15 Cb 1.19 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2kl8 h PHE 15 CO 0.00 -0.69 -0.47 1.05 -2.23 0.00 0.00 178.31 175.96 2kl8 h GLU 16 N -1.10 0.00 0.31 1.11 4.11 -1.39 -1.29 114.58 116.32 2kl8 h GLU 16 Ca -0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 2kl8 h GLU 16 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2kl8 h GLU 16 CO 0.03 0.47 -0.15 0.87 0.07 0.00 0.00 179.01 180.31 2kl8 h LYS 17 N 0.00 -0.40 0.12 1.06 1.79 -1.08 -2.33 116.57 115.74 2kl8 h LYS 17 Ca -0.00 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2kl8 h LYS 17 Cb 0.91 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2kl8 h LYS 17 CO 0.06 -0.07 -0.06 0.00 -1.08 0.00 0.00 179.45 178.30 2kl8 h ALA 18 N -0.29 -0.17 -0.42 3.86 0.00 -1.12 -2.48 119.26 118.64 2kl8 h ALA 18 Ca -0.04 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2kl8 h ALA 18 Cb 0.51 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2kl8 h ALA 18 CO 0.07 -0.47 0.04 1.25 0.00 0.00 0.00 179.25 180.14 2kl8 h LEU 19 N -0.41 -0.08 -0.38 0.00 5.85 -1.36 -0.66 115.31 118.27 2kl8 h LEU 19 Ca -0.02 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2kl8 h LEU 19 Cb 0.33 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2kl8 h LEU 19 CO 0.03 -0.01 0.23 0.50 -0.34 0.00 0.00 178.44 178.85 2kl8 h LYS 20 N 0.16 0.52 -0.38 1.25 1.63 -1.41 -2.04 116.57 116.30 2kl8 h LYS 20 Ca 0.21 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 2kl8 h LYS 20 Cb 0.28 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2kl8 h LYS 20 CO -0.31 0.39 0.11 0.93 -3.45 0.00 0.00 179.45 177.12 2kl8 h GLU 21 N 0.50 0.59 0.09 1.90 4.39 -1.06 0.11 114.58 121.10 2kl8 h GLU 21 Ca 0.14 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2kl8 h GLU 21 Cb 0.00 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2kl8 h GLU 21 CO -0.03 0.61 -0.19 0.52 -1.16 0.00 0.00 179.01 178.77 2kl8 h MET 22 N 0.46 -0.34 -0.82 2.33 2.86 -0.98 -0.57 114.93 117.87 2kl8 h MET 22 Ca 0.12 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2kl8 h MET 22 Cb 0.27 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2kl8 h MET 22 CO -0.00 -0.23 0.46 0.82 1.06 0.00 0.00 176.91 179.03 2kl8 h ILE 23 N -0.35 1.24 -0.85 -1.22 2.04 -1.35 -2.52 117.51 114.49 2kl8 h ILE 23 Ca 0.03 -0.58 0.14 0.00 1.00 0.00 0.00 64.86 65.45 2kl8 h ILE 23 Cb 0.38 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 2kl8 h ILE 23 CO -0.11 0.26 0.55 -0.09 0.00 0.00 0.00 178.15 178.76 2kl8 h ARG 24 N 1.14 0.63 0.12 2.37 2.43 -0.20 -1.99 114.38 118.89 2kl8 h ARG 24 Ca 0.29 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2kl8 h ARG 24 Cb 0.01 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2kl8 h ARG 24 CO -0.05 0.42 -0.06 1.96 -1.51 0.00 0.00 179.97 180.73 2kl8 h GLN 25 N 0.65 -0.16 -0.22 0.20 1.08 -0.71 -3.38 115.11 112.58 2kl8 h GLN 25 Ca 0.42 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.57 2kl8 h GLN 25 Cb 0.69 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2kl8 h GLN 25 CO -0.18 0.31 -0.14 0.00 -0.95 0.00 0.00 178.83 177.87 2kl8 h ALA 26 N -0.29 1.36 -0.24 3.87 0.00 -1.22 -3.12 119.26 119.62 2kl8 h ALA 26 Ca -0.02 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.71 2kl8 h ALA 26 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kl8 h ALA 26 CO 0.03 0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.92 2kl8 h ARG 27 N 0.34 0.00 0.00 0.00 3.08 -1.54 0.57 114.38 116.83 2kl8 h ARG 27 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2kl8 h ARG 27 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2kl8 h ARG 27 CO 0.03 0.00 -0.21 0.87 -1.07 0.00 0.00 179.97 179.59 2kl8 h LYS 28 N 0.00 0.00 0.00 0.04 6.56 -1.76 -3.46 116.57 117.95 2kl8 h LYS 28 Ca 0.11 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.39 2kl8 h LYS 28 Cb 0.52 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.16 2kl8 h LYS 28 CO -0.00 0.21 -0.13 1.19 -2.06 0.00 0.00 179.45 178.66 2kl8 n PHE 29 N -3.70 -1.32 0.36 -1.35 3.72 0.19 -4.99 117.46 110.37 2kl8 n PHE 29 Ca -0.01 -1.26 -0.02 0.00 -0.05 0.00 0.00 57.45 56.10 2kl8 n PHE 29 Cb 0.33 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.42 3.22 -2.65 4.37 0.00 -1.26 -4.89 120.51 116.88 2kl8 n ALA 30 Ca -0.09 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 2kl8 n ALA 30 Cb 0.34 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 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 1.15 1.67 -0.03 0.00 0.00 -1.16 -4.62 107.32 104.33 2kl8 s GLY 31 Ca 0.04 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.16 2kl8 s GLY 31 CO 0.00 -1.63 -0.09 -1.59 0.00 0.00 0.00 173.10 169.79 2kl8 s THR 32 N -2.29 0.78 -0.36 0.90 2.01 -0.48 -4.67 115.64 111.54 2kl8 s THR 32 Ca 0.34 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 2kl8 s THR 32 Cb -0.06 -0.70 -0.00 0.00 0.01 0.00 0.00 72.50 71.75 2kl8 s THR 32 CO 0.23 0.24 0.33 -0.69 -0.69 0.00 0.00 174.62 174.04 2kl8 s VAL 33 N 0.18 5.20 -0.06 3.82 1.01 -1.26 -1.60 120.40 127.70 2kl8 s VAL 33 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 2kl8 s VAL 33 Cb -0.08 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2kl8 s VAL 33 CO 0.00 -0.15 -0.01 0.28 0.00 0.00 0.00 175.10 175.23 2kl8 s THR 34 N 1.91 4.14 0.01 3.92 -1.32 -0.22 -4.97 115.64 119.10 2kl8 s THR 34 Ca 0.09 -0.41 -0.16 0.00 -1.21 0.00 0.00 61.69 60.01 2kl8 s THR 34 Cb -0.17 -2.77 0.03 0.00 -1.51 0.00 0.00 72.50 68.08 2kl8 s THR 34 CO 0.11 0.53 0.34 -0.72 -2.21 0.00 0.00 174.62 172.67 2kl8 s TYR 35 N -0.93 -0.19 -0.01 9.09 1.13 -1.26 -0.27 117.35 124.91 2kl8 s TYR 35 Ca 0.15 0.21 0.03 0.00 -1.41 0.00 0.00 57.07 56.05 2kl8 s TYR 35 Cb -0.11 0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.87 2kl8 s TYR 35 CO 0.05 -0.45 -0.10 -0.08 -2.51 0.00 0.00 175.55 172.46 2kl8 s THR 36 N -1.82 0.78 -0.10 -3.49 -1.32 -0.86 -4.99 115.64 103.84 2kl8 s THR 36 Ca -0.10 -0.40 -0.04 0.00 -1.21 0.00 0.00 61.69 59.94 2kl8 s THR 36 Cb -0.03 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.26 2kl8 s THR 36 CO 0.01 0.23 0.08 -0.76 -2.21 0.00 0.00 174.62 171.97 2kl8 s LEU 37 N -0.09 4.02 -0.29 9.08 2.01 -1.26 -2.37 118.68 129.78 2kl8 s LEU 37 Ca 0.01 0.31 0.03 0.00 0.01 0.00 0.00 54.13 54.49 2kl8 s LEU 37 Cb -0.05 -1.98 0.17 0.00 0.01 0.00 0.00 46.19 44.33 2kl8 s LEU 37 CO -0.00 0.39 0.44 -0.62 1.01 0.00 0.00 176.35 177.56 2kl8 s ASP 38 N -1.01 0.09 0.49 2.29 2.15 -0.59 -5.02 116.67 115.06 2kl8 s ASP 38 Ca 0.15 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2kl8 s ASP 38 Cb -0.12 1.24 0.00 0.00 -0.30 0.00 0.00 42.92 43.74 2kl8 s ASP 38 CO 0.04 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 2kl8 n GLY 39 N 5.36 0.25 0.50 2.66 0.00 -1.26 -0.98 105.19 111.72 2kl8 n GLY 39 Ca 0.01 0.67 0.05 0.00 0.00 0.00 0.00 46.02 46.76 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 5.38 2.33 -4.61 1.61 6.94 -1.26 -4.99 115.26 120.66 2kl8 n ASN 40 Ca 0.00 -1.70 -0.34 0.00 -0.02 0.00 0.00 54.58 52.52 2kl8 n ASN 40 Cb 0.00 -0.10 -0.11 0.00 -2.36 0.00 0.00 39.78 37.21 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 -0.93 4.96 -0.31 0.53 1.11 -0.15 -2.84 116.67 119.04 2kl8 s ASP 41 Ca 0.17 0.03 -0.02 0.00 0.18 0.00 0.00 52.55 52.91 2kl8 s ASP 41 Cb 0.10 -1.45 0.10 0.00 1.07 0.00 0.00 42.92 42.75 2kl8 s ASP 41 CO 0.14 0.33 0.11 -0.22 1.18 0.00 0.00 175.17 176.71 2kl8 s LEU 42 N -0.57 1.75 -0.33 1.23 2.96 -0.02 -1.54 118.68 122.16 2kl8 s LEU 42 Ca 0.09 -1.59 -0.18 0.00 -0.22 0.00 0.00 54.13 52.23 2kl8 s LEU 42 Cb -0.12 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.85 2kl8 s LEU 42 CO 0.02 -0.42 0.53 -1.61 -1.32 0.00 0.00 176.35 173.56 2kl8 s GLU 43 N 1.70 3.73 -0.30 1.98 2.02 -1.00 -0.38 118.70 126.44 2kl8 s GLU 43 Ca 0.10 -0.03 -0.02 0.00 0.02 0.00 0.00 54.97 55.04 2kl8 s GLU 43 Cb -0.17 -3.77 0.05 0.00 0.10 0.00 0.00 34.13 30.33 2kl8 s GLU 43 CO -0.27 -0.59 0.01 0.42 0.02 0.00 0.00 175.26 174.85 2kl8 s ILE 44 N 2.42 3.08 -0.15 -1.63 1.01 0.77 -2.02 121.20 124.68 2kl8 s ILE 44 Ca 0.20 -1.36 -0.05 0.00 0.00 0.00 0.00 60.65 59.45 2kl8 s ILE 44 Cb -0.15 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 2kl8 s ILE 44 CO 0.13 -0.12 0.01 -0.60 0.00 0.00 0.00 174.94 174.36 2kl8 s ARG 45 N 1.27 3.64 -0.30 2.79 3.52 0.63 -0.42 118.95 130.09 2kl8 s ARG 45 Ca -0.05 -0.43 -0.07 0.00 -0.13 0.00 0.00 55.73 55.05 2kl8 s ARG 45 Cb -0.20 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2kl8 s ARG 45 CO -0.01 0.36 0.10 0.42 -0.81 0.00 0.00 175.30 175.36 2kl8 s ILE 46 N 0.09 4.08 -0.25 4.11 1.01 -0.14 -1.06 121.20 129.03 2kl8 s ILE 46 Ca 0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2kl8 s ILE 46 Cb -0.13 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2kl8 s ILE 46 CO 0.02 0.04 0.14 -0.89 0.00 0.00 0.00 174.94 174.25 2kl8 s THR 47 N 1.51 5.07 0.00 2.92 2.01 -0.62 -1.67 115.64 124.86 2kl8 s THR 47 Ca 0.03 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2kl8 s THR 47 Cb -0.17 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2kl8 s THR 47 CO 0.03 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 2kl8 n GLY 48 N 4.67 0.59 3.29 4.40 0.00 -0.60 -1.38 105.19 116.16 2kl8 n GLY 48 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.90 1.86 0.69 1.61 -7.23 -0.09 -3.01 120.40 113.32 2kl8 s VAL 49 Ca 0.00 -1.29 -0.11 0.00 -1.81 0.00 0.00 61.98 58.77 2kl8 s VAL 49 Cb 0.00 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2kl8 s VAL 49 CO 0.00 0.26 1.06 -2.84 -0.31 0.00 0.00 175.10 173.27 2kl8 s PRO 50 N -1.24 2.98 0.30 4.82 0.02 -1.26 -0.17 135.00 140.45 2kl8 s PRO 50 Ca 0.09 0.94 -0.00 0.00 0.02 0.00 0.00 61.00 62.04 2kl8 s PRO 50 Cb -0.09 -2.00 0.46 0.00 0.02 0.00 0.00 34.50 32.89 2kl8 s PRO 50 CO 0.02 -1.06 1.89 1.49 -0.33 0.00 0.00 177.00 179.01 2kl8 h GLU 51 N -0.69 0.86 0.00 5.54 4.81 -1.98 0.13 114.58 123.24 2kl8 h GLU 51 Ca -0.44 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2kl8 h GLU 51 Cb 1.21 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2kl8 h GLU 51 CO 0.57 0.69 0.00 -0.56 -0.73 0.00 0.00 179.01 178.99 2kl8 h GLN 52 N 0.85 0.00 0.04 1.92 3.07 -2.02 -1.90 115.11 117.07 2kl8 h GLN 52 Ca 0.20 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.58 2kl8 h GLN 52 Cb 0.15 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.66 2kl8 h GLN 52 CO -0.02 0.00 -2.21 0.28 0.09 0.00 0.00 178.83 176.97 2kl8 n VAL 53 N -3.08 1.57 -0.22 1.86 0.31 -0.19 -4.19 118.33 114.39 2kl8 n VAL 53 Ca -0.03 -0.69 -0.04 0.00 -0.01 0.00 0.00 64.34 63.58 2kl8 n VAL 53 Cb 0.10 -1.26 0.03 0.00 -0.91 0.00 0.00 33.84 31.79 2kl8 n VAL 53 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2kl8 h ARG 54 N 0.02 -0.11 -0.49 5.55 2.43 -0.04 0.13 114.38 121.87 2kl8 h ARG 54 Ca -0.49 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.73 2kl8 h ARG 54 Cb 2.03 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.57 2kl8 h ARG 54 CO 0.01 -0.08 0.32 0.87 -1.51 0.00 0.00 179.97 179.59 2kl8 h LYS 55 N -0.12 0.51 -0.01 0.20 1.57 -1.64 -2.03 116.57 115.06 2kl8 h LYS 55 Ca 0.26 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.80 2kl8 h LYS 55 Cb 0.55 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2kl8 h LYS 55 CO -0.70 0.34 -0.90 0.93 -0.57 0.00 0.00 179.45 178.55 2kl8 h GLU 56 N 0.53 0.38 -0.41 3.15 4.39 -1.16 -2.19 114.58 119.26 2kl8 h GLU 56 Ca 0.20 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2kl8 h GLU 56 Cb 0.13 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2kl8 h GLU 56 CO -0.05 1.06 0.18 -0.07 -1.16 0.00 0.00 179.01 178.97 2kl8 h LEU 57 N 0.22 0.55 0.04 1.33 3.38 -0.20 -1.21 115.31 119.43 2kl8 h LEU 57 Ca -0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2kl8 h LEU 57 Cb 1.52 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2kl8 h LEU 57 CO 0.15 0.55 -0.02 0.00 0.09 0.00 0.00 178.44 179.21 2kl8 h ALA 58 N 1.03 -0.06 -0.84 1.53 0.00 -1.41 -0.80 119.26 118.71 2kl8 h ALA 58 Ca 0.14 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2kl8 h ALA 58 Cb 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2kl8 h ALA 58 CO -0.01 -0.51 0.55 -0.22 0.00 0.00 0.00 179.25 179.05 2kl8 h LYS 59 N -0.09 0.69 -0.03 0.00 3.64 -1.26 -0.00 116.57 119.51 2kl8 h LYS 59 Ca -0.01 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 2kl8 h LYS 59 Cb 0.08 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2kl8 h LYS 59 CO 0.01 0.45 -0.59 1.49 -2.27 0.00 0.00 179.45 178.54 2kl8 h GLU 60 N 0.71 0.45 -0.83 1.90 4.57 -1.04 -3.25 114.58 117.08 2kl8 h GLU 60 Ca 0.40 -0.45 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2kl8 h GLU 60 Cb 0.58 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.24 2kl8 h GLU 60 CO -0.17 1.10 0.55 0.00 -1.18 0.00 0.00 179.01 179.30 2kl8 h ALA 61 N 0.37 1.47 -0.58 2.92 0.00 -0.46 -1.98 119.26 121.01 2kl8 h ALA 61 Ca -0.07 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2kl8 h ALA 61 Cb 1.28 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2kl8 h ALA 61 CO 0.12 0.46 0.18 0.93 0.00 0.00 0.00 179.25 180.93 2kl8 h GLU 62 N 1.05 0.33 0.09 0.00 4.39 -1.08 -0.78 114.58 118.58 2kl8 h GLU 62 Ca 0.32 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2kl8 h GLU 62 Cb -0.00 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2kl8 h GLU 62 CO -0.09 0.22 -0.04 -0.09 -1.16 0.00 0.00 179.01 177.84 2kl8 h ARG 63 N 0.34 -0.11 -0.75 2.33 2.43 -1.41 -1.74 114.38 115.46 2kl8 h ARG 63 Ca 0.29 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.60 2kl8 h ARG 63 Cb 0.39 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 2kl8 h ARG 63 CO -0.33 0.00 0.35 -0.07 -1.51 0.00 0.00 179.97 178.41 2kl8 h LEU 64 N -0.20 0.40 0.52 3.80 3.38 -0.99 0.10 115.31 122.31 2kl8 h LEU 64 Ca -0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2kl8 h LEU 64 Cb 0.17 0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kl8 h LEU 64 CO 0.02 0.19 -0.25 0.00 0.09 0.00 0.00 178.44 178.49 2kl8 h ALA 65 N 1.50 -0.69 -0.58 1.53 0.00 -1.03 -3.17 119.26 116.82 2kl8 h ALA 65 Ca 0.40 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2kl8 h ALA 65 Cb 0.53 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2kl8 h ALA 65 CO -0.34 -0.74 0.26 0.87 0.00 0.00 0.00 179.25 179.31 2kl8 h LYS 66 N -1.00 0.85 -0.59 0.00 1.57 -1.10 0.69 116.57 117.00 2kl8 h LYS 66 Ca -0.07 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2kl8 h LYS 66 Cb 0.61 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2kl8 h LYS 66 CO 0.12 0.70 0.24 1.49 -0.57 0.00 0.00 179.45 181.43 2kl8 h GLU 67 N 0.80 0.85 -0.40 3.15 4.57 -0.91 -2.53 114.58 120.11 2kl8 h GLU 67 Ca 0.20 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2kl8 h GLU 67 Cb 0.15 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2kl8 h GLU 67 CO -0.02 0.69 0.00 1.19 -1.18 0.00 0.00 179.01 179.69 2kl8 n PHE 68 N -4.33 0.53 -2.21 0.92 3.72 -1.17 -4.97 117.46 109.95 2kl8 n PHE 68 Ca 0.05 -0.38 -0.19 0.00 -0.05 0.00 0.00 57.45 56.87 2kl8 n PHE 68 Cb 0.16 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 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 0.98 -5.45 -4.93 4.37 3.02 0.03 -4.84 115.26 108.46 2kl8 n ASN 69 Ca 0.15 0.13 -0.27 0.00 -0.03 0.00 0.00 54.58 54.56 2kl8 n ASN 69 Cb 0.49 -4.61 -0.03 0.00 -0.61 0.00 0.00 39.78 35.01 2kl8 n ASN 69 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2kl8 s ILE 70 N -2.89 5.18 0.15 2.41 -4.36 -0.05 -4.96 121.20 116.68 2kl8 s ILE 70 Ca 0.00 -0.33 -0.18 0.00 -0.26 0.00 0.00 60.65 59.88 2kl8 s ILE 70 Cb 0.00 -3.74 -0.07 0.00 1.25 0.00 0.00 42.46 39.90 2kl8 s ILE 70 CO 0.00 -0.21 0.62 0.42 0.24 0.00 0.00 174.94 176.01 2kl8 s THR 71 N -1.91 4.71 -0.03 8.37 -4.23 0.51 -4.44 115.64 118.62 2kl8 s THR 71 Ca 0.39 1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 62.00 2kl8 s THR 71 Cb -0.11 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 69.91 2kl8 s THR 71 CO 0.29 0.34 0.08 0.54 -0.54 0.00 0.00 174.62 175.33 2kl8 s VAL 72 N -1.36 -0.02 0.02 2.29 0.11 -1.26 -0.72 120.40 119.45 2kl8 s VAL 72 Ca 0.37 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.55 2kl8 s VAL 72 Cb -0.17 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 2kl8 s VAL 72 CO 0.20 0.04 -0.15 0.42 -3.33 0.00 0.00 175.10 172.27 2kl8 s THR 73 N 0.52 1.21 -0.15 5.04 -4.23 -0.98 -4.98 115.64 112.06 2kl8 s THR 73 Ca -0.04 -0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2kl8 s THR 73 Cb -0.06 -1.05 0.04 0.00 1.34 0.00 0.00 72.50 72.78 2kl8 s THR 73 CO -0.02 0.17 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.48 2kl8 s TYR 74 N -0.63 1.37 -0.22 3.99 1.13 -1.26 -1.19 117.35 120.55 2kl8 s TYR 74 Ca 0.04 -0.85 -0.08 0.00 -1.41 0.00 0.00 57.07 54.77 2kl8 s TYR 74 Cb -0.07 -1.16 -0.04 0.00 -1.10 0.00 0.00 41.96 39.59 2kl8 s TYR 74 CO 0.01 -0.56 0.08 0.99 -2.51 0.00 0.00 175.55 173.56 2kl8 s THR 75 N 1.74 4.67 -0.03 -3.49 2.01 0.27 -4.93 115.64 115.88 2kl8 s THR 75 Ca 0.01 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.02 2kl8 s THR 75 Cb -0.15 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 2kl8 s THR 75 CO -0.07 0.39 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.38 2kl8 s ILE 76 N 1.02 2.28 -0.07 1.82 1.01 -1.26 -0.92 121.20 125.09 2kl8 s ILE 76 Ca 0.04 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2kl8 s ILE 76 Cb -0.14 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.52 2kl8 s ILE 76 CO 0.03 0.58 -0.16 0.00 0.00 0.00 0.00 174.94 175.40 2kl8 s ARG 77 N -0.62 1.98 0.24 2.79 1.70 -0.99 -5.05 118.95 118.99 2kl8 s ARG 77 Ca 0.10 -0.55 0.01 0.00 -0.47 0.00 0.00 55.73 54.82 2kl8 s ARG 77 Cb -0.10 -1.61 -0.05 0.00 -0.57 0.00 0.00 34.95 32.62 2kl8 s ARG 77 CO -0.00 0.11 0.08 -0.48 -1.08 0.00 0.00 175.30 173.92 2kl8 s LEU 78 N 0.46 1.71 -1.00 -1.89 0.05 -1.26 -3.12 118.68 113.63 2kl8 s LEU 78 Ca -0.13 -1.34 -0.25 0.00 0.05 0.00 0.00 54.13 52.47 2kl8 s LEU 78 Cb -0.15 0.03 -0.10 0.00 -2.05 0.00 0.00 46.19 43.91 2kl8 s LEU 78 CO 0.04 -0.70 2.05 -1.61 -0.55 0.00 0.00 176.35 175.58 2kl8 s GLU 79 N -4.02 2.16 -0.01 1.48 2.02 -1.26 -4.94 118.70 114.14 2kl8 s GLU 79 Ca 0.35 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.59 2kl8 s GLU 79 Cb 0.07 -5.06 -0.05 0.00 0.10 0.00 0.00 34.13 29.20 2kl8 s GLU 79 CO 0.11 -4.07 1.31 -3.38 0.02 0.00 0.00 175.26 169.25 2kl8 s HIS 80 N 12.23 3.06 0.47 1.61 -3.43 -1.26 -5.01 115.29 122.96 2kl8 s HIS 80 Ca 0.75 1.02 -0.19 0.00 -0.80 0.00 0.00 55.06 55.84 2kl8 s HIS 80 Cb -0.06 -3.55 -0.09 0.00 -1.43 0.00 0.00 32.58 27.45 2kl8 s HIS 80 CO 0.08 -1.91 0.99 -1.01 -2.00 0.00 0.00 174.74 170.89 2kl8 s HIS 81 N 2.11 3.24 -0.42 0.38 0.09 -1.26 -5.04 115.29 114.39 2kl8 s HIS 81 Ca 0.60 1.56 -0.11 0.00 -0.00 0.00 0.00 55.06 57.12 2kl8 s HIS 81 Cb -0.29 -2.90 0.06 0.00 -0.00 0.00 0.00 32.58 29.45 2kl8 s HIS 81 CO 0.25 -0.42 0.27 -1.58 -0.00 0.00 0.00 174.74 173.27 2kl8 s HIS 82 N -2.24 3.28 0.00 1.40 5.04 -1.26 -4.96 115.29 116.55 2kl8 s HIS 82 Ca 0.63 -1.19 0.00 0.00 -1.54 0.00 0.00 55.06 52.95 2kl8 s HIS 82 Cb -0.12 -2.83 0.00 0.00 0.04 0.00 0.00 32.58 29.68 2kl8 s HIS 82 CO 0.20 -0.77 0.00 0.72 -2.34 0.00 0.00 174.74 172.56 2kl8 n HIS 83 N 5.01 0.00 -2.99 3.88 8.25 -1.26 -5.02 115.22 123.10 2kl8 n HIS 83 Ca -0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.15 2kl8 n HIS 83 Cb 0.44 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.59 2kl8 n HIS 83 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kl8 n HIS 84 N -1.80 -1.83 -0.62 4.41 8.25 -1.26 -5.38 115.22 116.99 2kl8 n HIS 84 Ca 0.00 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 2kl8 n HIS 84 Cb 0.00 -4.15 0.00 0.00 1.12 0.00 0.00 29.99 26.96 2kl8 n HIS 84 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70