#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 2.55 -0.13 0.03 -6.30 -1.24 -1.94 118.70 111.66 2kl8 s GLU 2 Ca 0.00 -0.72 0.01 0.00 -2.50 0.00 0.00 54.97 51.76 2kl8 s GLU 2 Cb 0.00 -2.35 0.02 0.00 0.00 0.00 0.00 34.13 31.80 2kl8 s GLU 2 CO 0.00 -0.26 -0.15 1.41 0.02 0.00 0.00 175.26 176.28 2kl8 s MET 3 N 1.39 2.33 -0.19 4.30 -2.45 -0.73 -0.13 119.30 123.81 2kl8 s MET 3 Ca 0.04 -0.58 -0.20 0.00 -1.25 0.00 0.00 55.69 53.69 2kl8 s MET 3 Cb -0.13 -2.06 -0.03 0.00 1.25 0.00 0.00 34.83 33.86 2kl8 s MET 3 CO -0.11 -0.16 0.61 0.34 1.05 0.00 0.00 175.02 176.74 2kl8 s ASP 4 N 1.27 6.67 -0.23 1.11 2.15 -0.30 -0.89 116.67 126.45 2kl8 s ASP 4 Ca 0.00 0.81 -0.01 0.00 0.43 0.00 0.00 52.55 53.79 2kl8 s ASP 4 Cb -0.14 -2.34 0.07 0.00 -0.30 0.00 0.00 42.92 40.21 2kl8 s ASP 4 CO -0.07 -0.24 0.01 -0.63 -0.17 0.00 0.00 175.17 174.06 2kl8 s ILE 5 N 1.79 1.00 -0.36 4.11 1.01 0.55 -1.18 121.20 128.13 2kl8 s ILE 5 Ca 0.28 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 2kl8 s ILE 5 Cb -0.16 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 40.92 2kl8 s ILE 5 CO 0.10 -0.22 0.14 -0.13 0.00 0.00 0.00 174.94 174.83 2kl8 s ARG 6 N 1.63 2.55 0.36 2.79 0.52 0.19 0.12 118.95 127.11 2kl8 s ARG 6 Ca -0.02 -1.30 -0.06 0.00 -0.52 0.00 0.00 55.73 53.84 2kl8 s ARG 6 Cb -0.18 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.71 2kl8 s ARG 6 CO -0.09 -0.76 0.66 -0.06 0.02 0.00 0.00 175.30 175.07 2kl8 s PHE 7 N 1.38 3.49 -0.07 -0.53 0.08 0.81 -0.64 117.98 122.50 2kl8 s PHE 7 Ca 0.00 0.76 -0.03 0.00 0.12 0.00 0.00 56.93 57.78 2kl8 s PHE 7 Cb -0.21 -2.22 0.04 0.00 -0.57 0.00 0.00 43.02 40.07 2kl8 s PHE 7 CO 0.02 0.01 0.13 0.50 -0.10 0.00 0.00 175.22 175.78 2kl8 s ARG 8 N -3.90 0.00 -0.29 0.44 3.52 0.09 0.50 118.95 119.32 2kl8 s ARG 8 Ca 0.46 0.50 -0.17 0.00 -0.13 0.00 0.00 55.73 56.39 2kl8 s ARG 8 Cb -0.10 -0.34 0.13 0.00 -1.56 0.00 0.00 34.95 33.08 2kl8 s ARG 8 CO 0.33 -0.31 0.92 0.20 -0.81 0.00 0.00 175.30 175.63 2kl8 s GLY 9 N 2.21 -0.17 0.00 8.12 0.00 -1.25 -1.51 107.32 114.72 2kl8 s GLY 9 Ca 0.03 2.90 0.30 0.00 0.00 0.00 0.00 44.72 47.95 2kl8 s GLY 9 CO -0.05 2.43 2.05 2.09 0.00 0.00 0.00 173.10 179.62 2kl8 n ASP 10 N 3.62 0.00 -4.56 1.64 5.75 -1.26 -4.67 116.55 117.07 2kl8 n ASP 10 Ca -0.18 -0.18 -0.40 0.00 -0.01 0.00 0.00 54.79 54.03 2kl8 n ASP 10 Cb 0.58 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 2kl8 n ASP 10 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2kl8 s ASP 11 N -2.54 5.63 0.53 -1.12 1.01 -1.26 -4.87 116.67 114.05 2kl8 s ASP 11 Ca 0.29 0.19 0.23 0.00 0.71 0.00 0.00 52.55 53.98 2kl8 s ASP 11 Cb 0.20 -2.54 1.46 0.00 1.01 0.00 0.00 42.92 43.05 2kl8 s ASP 11 CO 0.45 -2.13 2.14 0.25 0.21 0.00 0.00 175.17 176.09 2kl8 h LEU 12 N 15.03 0.00 -0.34 1.23 5.85 -2.00 0.00 115.31 135.08 2kl8 h LEU 12 Ca -0.27 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.26 2kl8 h LEU 12 Cb 1.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2kl8 h LEU 12 CO 1.22 0.07 -0.74 1.05 -0.34 0.00 0.00 178.44 179.69 2kl8 h GLU 13 N 0.00 0.51 -0.10 1.25 -0.00 -1.97 -2.93 114.58 111.34 2kl8 h GLU 13 Ca -0.00 -0.42 -0.08 0.00 -0.00 0.00 0.00 59.36 58.86 2kl8 h GLU 13 Cb 0.15 0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 28.98 2kl8 h GLU 13 CO 0.01 1.05 -0.29 0.00 -0.00 0.00 0.00 179.01 179.78 2kl8 h ALA 14 N 0.83 1.33 -0.38 1.06 0.00 -1.47 -1.24 119.26 119.40 2kl8 h ALA 14 Ca -0.04 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2kl8 h ALA 14 Cb 1.33 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2kl8 h ALA 14 CO 0.13 0.47 0.07 0.35 0.00 0.00 0.00 179.25 180.27 2kl8 h PHE 15 N 0.17 0.11 0.04 0.00 3.57 -1.01 0.11 116.94 119.92 2kl8 h PHE 15 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2kl8 h PHE 15 Cb 0.60 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2kl8 h PHE 15 CO 0.01 0.01 -0.02 1.49 -2.23 0.00 0.00 178.31 177.57 2kl8 h GLU 16 N 0.19 -0.05 0.20 1.11 4.22 -1.24 -2.62 114.58 116.38 2kl8 h GLU 16 Ca 0.18 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.63 2kl8 h GLU 16 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2kl8 h GLU 16 CO -0.24 -0.01 -0.24 0.87 -2.18 0.00 0.00 179.01 177.20 2kl8 h LYS 17 N -0.08 -0.48 0.09 1.92 1.79 -0.96 0.14 116.57 118.99 2kl8 h LYS 17 Ca -0.01 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.51 2kl8 h LYS 17 Cb 0.06 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 2kl8 h LYS 17 CO 0.01 -0.32 -0.20 0.00 -1.08 0.00 0.00 179.45 177.86 2kl8 h ALA 18 N 0.20 -0.32 -0.57 3.86 0.00 -0.82 -0.62 119.26 120.99 2kl8 h ALA 18 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kl8 h ALA 18 Cb 0.48 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2kl8 h ALA 18 CO -0.08 -0.72 0.23 1.25 0.00 0.00 0.00 179.25 179.92 2kl8 h LEU 19 N -0.37 0.76 0.05 0.00 5.85 -1.44 -2.80 115.31 117.37 2kl8 h LEU 19 Ca 0.03 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2kl8 h LEU 19 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2kl8 h LEU 19 CO -0.13 0.68 -0.06 0.50 -0.34 0.00 0.00 178.44 179.09 2kl8 h LYS 20 N 0.82 -0.13 -0.22 1.25 1.63 0.01 -1.78 116.57 118.14 2kl8 h LYS 20 Ca 0.20 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2kl8 h LYS 20 Cb 0.16 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 2kl8 h LYS 20 CO -0.02 -0.09 0.12 0.93 -3.45 0.00 0.00 179.45 176.95 2kl8 h GLU 21 N -0.14 0.31 -0.86 1.90 4.39 -1.02 0.12 114.58 119.29 2kl8 h GLU 21 Ca 0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2kl8 h GLU 21 Cb 0.14 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 2kl8 h GLU 21 CO -0.03 0.29 0.45 0.52 -1.16 0.00 0.00 179.01 179.08 2kl8 h MET 22 N 0.25 1.21 -0.39 2.33 2.86 -1.44 -1.54 114.93 118.21 2kl8 h MET 22 Ca 0.08 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.45 2kl8 h MET 22 Cb 0.07 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2kl8 h MET 22 CO -0.01 0.90 -0.22 0.82 1.06 0.00 0.00 176.91 179.45 2kl8 h ILE 23 N 1.20 1.27 -0.82 -1.22 2.04 -1.16 -0.18 117.51 118.65 2kl8 h ILE 23 Ca 0.30 -1.34 0.10 0.00 1.00 0.00 0.00 64.86 64.92 2kl8 h ILE 23 Cb 0.06 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2kl8 h ILE 23 CO -0.04 0.45 0.46 -0.09 0.00 0.00 0.00 178.15 178.92 2kl8 h ARG 24 N 0.68 0.74 -0.02 2.37 2.43 0.10 -1.04 114.38 119.64 2kl8 h ARG 24 Ca 0.09 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2kl8 h ARG 24 Cb 0.74 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2kl8 h ARG 24 CO 0.06 0.49 -0.17 1.96 -1.51 0.00 0.00 179.97 180.80 2kl8 h GLN 25 N 0.77 0.15 -0.54 0.20 1.08 -1.18 -3.34 115.11 112.24 2kl8 h GLN 25 Ca 0.40 -0.14 0.09 0.00 -1.45 0.00 0.00 58.65 57.55 2kl8 h GLN 25 Cb 0.39 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.78 2kl8 h GLN 25 CO -0.26 0.82 0.16 0.00 -0.95 0.00 0.00 178.83 178.60 2kl8 h ALA 26 N 0.33 0.66 -0.64 3.87 0.00 -0.64 -0.75 119.26 122.10 2kl8 h ALA 26 Ca -0.02 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2kl8 h ALA 26 Cb 0.86 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2kl8 h ALA 26 CO 0.03 -0.25 0.43 0.00 0.00 0.00 0.00 179.25 179.46 2kl8 h ARG 27 N 0.31 0.47 -0.05 0.00 2.47 -1.35 0.61 114.38 116.84 2kl8 h ARG 27 Ca 0.27 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.81 2kl8 h ARG 27 Cb 0.35 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2kl8 h ARG 27 CO -0.31 0.31 -0.66 0.87 0.56 0.00 0.00 179.97 180.74 2kl8 h LYS 28 N 0.48 0.22 -0.01 0.04 1.57 -1.27 -3.16 116.57 114.45 2kl8 h LYS 28 Ca 0.29 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2kl8 h LYS 28 Cb 0.51 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2kl8 h LYS 28 CO -0.09 0.80 -0.51 1.19 -0.57 0.00 0.00 179.45 180.27 2kl8 n PHE 29 N -3.82 0.00 -2.13 -1.35 3.72 -0.44 -4.96 117.46 108.48 2kl8 n PHE 29 Ca -0.03 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 2kl8 n PHE 29 Cb 0.66 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 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 -0.60 -0.48 -1.96 4.37 0.00 0.20 -4.98 120.51 117.06 2kl8 n ALA 30 Ca 0.09 0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.41 2kl8 n ALA 30 Cb 0.40 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.33 1.85 -0.11 0.00 0.00 -0.78 -5.01 107.32 100.94 2kl8 s GLY 31 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 44.72 44.45 2kl8 s GLY 31 CO 0.00 0.20 0.63 -1.59 0.00 0.00 0.00 173.10 172.34 2kl8 s THR 32 N -2.77 5.07 -0.20 0.90 2.01 -0.55 -4.75 115.64 115.35 2kl8 s THR 32 Ca 0.55 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.84 2kl8 s THR 32 Cb -0.10 -3.97 0.04 0.00 0.01 0.00 0.00 72.50 68.48 2kl8 s THR 32 CO 0.40 0.24 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.77 2kl8 s VAL 33 N 0.99 1.70 0.16 3.82 1.01 -1.26 -0.32 120.40 126.49 2kl8 s VAL 33 Ca 0.33 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.31 2kl8 s VAL 33 Cb -0.17 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2kl8 s VAL 33 CO 0.15 0.17 0.11 0.28 0.00 0.00 0.00 175.10 175.80 2kl8 s THR 34 N 1.37 4.36 -0.08 3.92 -1.32 -0.74 -4.96 115.64 118.19 2kl8 s THR 34 Ca -0.02 -1.11 -0.07 0.00 -1.21 0.00 0.00 61.69 59.29 2kl8 s THR 34 Cb -0.16 -3.21 0.02 0.00 -1.51 0.00 0.00 72.50 67.64 2kl8 s THR 34 CO -0.08 -0.09 0.21 -0.72 -2.21 0.00 0.00 174.62 171.73 2kl8 s TYR 35 N -1.71 -0.23 -0.03 9.09 1.13 -1.25 -0.96 117.35 123.38 2kl8 s TYR 35 Ca 0.30 0.58 0.02 0.00 -1.41 0.00 0.00 57.07 56.56 2kl8 s TYR 35 Cb -0.10 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 2kl8 s TYR 35 CO 0.22 -0.13 -0.08 0.95 -2.51 0.00 0.00 175.55 174.01 2kl8 s THR 36 N 0.33 0.71 -0.55 -3.49 -4.23 0.03 -4.98 115.64 103.46 2kl8 s THR 36 Ca -0.02 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 60.02 2kl8 s THR 36 Cb -0.03 -0.65 0.11 0.00 1.34 0.00 0.00 72.50 73.27 2kl8 s THR 36 CO -0.01 0.23 0.58 -0.76 -0.54 0.00 0.00 174.62 174.12 2kl8 s LEU 37 N 0.36 5.74 -0.63 4.79 2.01 -1.26 -0.85 118.68 128.84 2kl8 s LEU 37 Ca -0.05 -1.55 -0.17 0.00 0.01 0.00 0.00 54.13 52.37 2kl8 s LEU 37 Cb -0.10 -2.26 0.14 0.00 0.01 0.00 0.00 46.19 43.98 2kl8 s LEU 37 CO 0.01 -0.94 0.66 -0.62 1.01 0.00 0.00 176.35 176.46 2kl8 s ASP 38 N 3.45 6.32 0.00 2.29 2.15 -0.40 -4.86 116.67 125.63 2kl8 s ASP 38 Ca 0.07 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.20 2kl8 s ASP 38 Cb -0.26 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2kl8 s ASP 38 CO 0.05 -0.91 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 2kl8 n GLY 39 N 5.03 0.90 0.29 2.66 0.00 -1.26 -1.14 105.19 111.68 2kl8 n GLY 39 Ca -0.05 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 2.13 0.00 -4.53 1.61 6.94 -1.26 -5.08 115.26 115.07 2kl8 n ASN 40 Ca 0.00 -1.48 -0.34 0.00 -0.02 0.00 0.00 54.58 52.73 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 -0.48 5.08 -0.56 0.53 1.11 -0.29 -3.91 116.67 118.14 2kl8 s ASP 41 Ca 0.00 -0.08 -0.18 0.00 0.18 0.00 0.00 52.55 52.47 2kl8 s ASP 41 Cb 0.00 -1.85 0.09 0.00 1.07 0.00 0.00 42.92 42.23 2kl8 s ASP 41 CO 0.00 0.15 0.64 -0.22 1.18 0.00 0.00 175.17 176.92 2kl8 s LEU 42 N 0.52 5.38 -0.50 1.23 2.96 0.18 -1.27 118.68 127.18 2kl8 s LEU 42 Ca -0.01 -1.33 -0.22 0.00 -0.22 0.00 0.00 54.13 52.35 2kl8 s LEU 42 Cb -0.14 -2.32 0.04 0.00 0.50 0.00 0.00 46.19 44.27 2kl8 s LEU 42 CO 0.02 -1.00 0.79 -0.70 -1.32 0.00 0.00 176.35 174.13 2kl8 s GLU 43 N 2.49 3.29 -0.24 1.98 2.12 -0.03 -0.13 118.70 128.18 2kl8 s GLU 43 Ca 0.11 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 55.00 2kl8 s GLU 43 Cb -0.24 -4.03 0.01 0.00 0.26 0.00 0.00 34.13 30.14 2kl8 s GLU 43 CO 0.07 -1.28 -0.04 0.42 -0.54 0.00 0.00 175.26 173.90 2kl8 s ILE 44 N 3.32 3.20 -0.17 -3.70 1.01 0.12 -0.79 121.20 124.18 2kl8 s ILE 44 Ca 0.25 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 2kl8 s ILE 44 Cb -0.14 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2kl8 s ILE 44 CO 0.18 0.30 -0.15 -0.13 0.00 0.00 0.00 174.94 175.14 2kl8 s ARG 45 N 1.42 3.17 -0.28 2.79 0.52 -0.13 -0.33 118.95 126.10 2kl8 s ARG 45 Ca 0.03 -0.76 -0.05 0.00 -0.52 0.00 0.00 55.73 54.43 2kl8 s ARG 45 Cb -0.15 -2.66 0.01 0.00 0.52 0.00 0.00 34.95 32.67 2kl8 s ARG 45 CO -0.04 -0.09 0.04 0.42 0.02 0.00 0.00 175.30 175.66 2kl8 s ILE 46 N 1.07 3.70 -0.22 1.52 1.01 -0.07 -1.79 121.20 126.41 2kl8 s ILE 46 Ca -0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 2kl8 s ILE 46 Cb -0.14 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2kl8 s ILE 46 CO -0.04 0.12 0.14 -0.89 0.00 0.00 0.00 174.94 174.26 2kl8 s THR 47 N 1.46 5.30 0.00 2.92 2.01 0.56 -1.78 115.64 126.11 2kl8 s THR 47 Ca 0.02 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2kl8 s THR 47 Cb -0.17 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2kl8 s THR 47 CO 0.01 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2kl8 n GLY 48 N 3.98 0.80 3.35 4.40 0.00 -1.06 -1.48 105.19 115.18 2kl8 n GLY 48 Ca -0.16 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.96 2.38 0.33 1.61 -7.23 -0.82 -4.48 120.40 110.24 2kl8 s VAL 49 Ca 0.00 -0.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.91 2kl8 s VAL 49 Cb 0.00 -1.87 -0.10 0.00 0.56 0.00 0.00 36.38 34.97 2kl8 s VAL 49 CO 0.00 0.58 1.27 -2.84 -0.31 0.00 0.00 175.10 173.80 2kl8 s PRO 50 N -0.52 4.35 0.27 4.82 0.02 -1.26 0.31 135.00 142.98 2kl8 s PRO 50 Ca 0.07 2.13 -0.01 0.00 0.02 0.00 0.00 61.00 63.21 2kl8 s PRO 50 Cb -0.11 -3.04 0.49 0.00 0.02 0.00 0.00 34.50 31.86 2kl8 s PRO 50 CO 0.01 -0.16 1.82 1.05 -0.33 0.00 0.00 177.00 179.39 2kl8 h GLU 51 N 3.34 0.87 0.00 5.54 4.11 -2.00 -0.96 114.58 125.48 2kl8 h GLU 51 Ca -0.49 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 58.87 2kl8 h GLU 51 Cb 1.23 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2kl8 h GLU 51 CO 0.65 0.57 -0.13 -0.56 0.07 0.00 0.00 179.01 179.62 2kl8 h GLN 52 N 0.89 0.00 0.00 1.06 3.07 -2.06 -2.48 115.11 115.59 2kl8 h GLN 52 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.20 2kl8 h GLN 52 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 2kl8 h GLN 52 CO -0.27 0.13 -0.23 0.28 0.09 0.00 0.00 178.83 178.83 2kl8 n VAL 53 N -3.53 0.02 -0.31 1.86 0.31 -0.37 -3.97 118.33 112.34 2kl8 n VAL 53 Ca -0.01 -0.01 0.14 0.00 -0.01 0.00 0.00 64.34 64.44 2kl8 n VAL 53 Cb 0.27 -0.17 0.29 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.00 0.12 -0.11 5.55 9.65 -1.38 0.24 114.38 128.45 2kl8 h ARG 54 Ca 0.00 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2kl8 h ARG 54 Cb 0.51 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 2kl8 h ARG 54 CO 0.00 0.08 -0.13 0.87 2.80 0.00 0.00 179.97 183.58 2kl8 h LYS 55 N 0.12 0.17 0.06 0.20 1.79 -1.80 -2.14 116.57 114.97 2kl8 h LYS 55 Ca 0.57 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2kl8 h LYS 55 Cb 1.18 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 2kl8 h LYS 55 CO -0.74 0.31 -0.03 0.93 -1.08 0.00 0.00 179.45 178.84 2kl8 h GLU 56 N 0.16 -0.07 0.09 3.15 4.39 -1.26 -3.20 114.58 117.84 2kl8 h GLU 56 Ca 0.03 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.76 2kl8 h GLU 56 Cb 0.34 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2kl8 h GLU 56 CO 0.02 0.47 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.06 2kl8 h LEU 57 N -0.93 -0.60 -0.64 1.33 3.38 -1.17 0.11 115.31 116.79 2kl8 h LEU 57 Ca -0.01 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2kl8 h LEU 57 Cb 0.58 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2kl8 h LEU 57 CO 0.01 -0.29 0.10 0.00 0.09 0.00 0.00 178.44 178.35 2kl8 h ALA 58 N 0.43 0.85 -0.76 1.53 0.00 -1.59 0.65 119.26 120.37 2kl8 h ALA 58 Ca 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2kl8 h ALA 58 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2kl8 h ALA 58 CO -0.13 0.61 0.35 -0.22 0.00 0.00 0.00 179.25 179.85 2kl8 h LYS 59 N 0.98 1.11 -0.05 0.00 3.64 -1.48 -1.29 116.57 119.47 2kl8 h LYS 59 Ca 0.19 -0.18 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 2kl8 h LYS 59 Cb 0.43 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2kl8 h LYS 59 CO 0.01 0.88 -0.78 1.49 -2.27 0.00 0.00 179.45 178.78 2kl8 h GLU 60 N 1.08 0.37 -0.26 1.90 4.81 -0.56 -0.45 114.58 121.47 2kl8 h GLU 60 Ca 0.26 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2kl8 h GLU 60 Cb 0.15 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2kl8 h GLU 60 CO -0.03 0.99 0.16 0.00 -0.73 0.00 0.00 179.01 179.40 2kl8 h ALA 61 N 0.91 0.33 -0.08 2.92 0.00 -0.67 -1.38 119.26 121.29 2kl8 h ALA 61 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2kl8 h ALA 61 Cb 1.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2kl8 h ALA 61 CO 0.13 -0.21 -0.34 0.93 0.00 0.00 0.00 179.25 179.76 2kl8 h GLU 62 N 0.34 0.15 0.05 0.00 5.08 -1.20 -2.99 114.58 116.01 2kl8 h GLU 62 Ca 0.10 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2kl8 h GLU 62 Cb -0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2kl8 h GLU 62 CO -0.03 0.48 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.16 2kl8 h ARG 63 N 0.13 -0.35 -0.85 2.33 2.43 -0.52 -1.94 114.38 115.62 2kl8 h ARG 63 Ca 0.02 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.39 2kl8 h ARG 63 Cb 0.67 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.19 2kl8 h ARG 63 CO 0.05 -0.23 0.38 -0.07 -1.51 0.00 0.00 179.97 178.59 2kl8 h LEU 64 N -0.36 0.36 0.72 3.80 3.38 -1.13 0.57 115.31 122.66 2kl8 h LEU 64 Ca 0.05 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2kl8 h LEU 64 Cb 0.41 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2kl8 h LEU 64 CO -0.16 0.08 -0.35 0.00 0.09 0.00 0.00 178.44 178.10 2kl8 h ALA 65 N 1.63 -0.97 0.00 1.53 0.00 -1.35 -1.16 119.26 118.94 2kl8 h ALA 65 Ca 0.50 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2kl8 h ALA 65 Cb 0.85 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kl8 h ALA 65 CO -0.46 -1.02 -0.39 0.87 0.00 0.00 0.00 179.25 178.25 2kl8 h LYS 66 N -1.01 0.00 -0.01 0.00 1.57 -0.86 0.49 116.57 116.74 2kl8 h LYS 66 Ca -0.10 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.45 2kl8 h LYS 66 Cb 0.75 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.07 2kl8 h LYS 66 CO 0.16 0.39 -0.96 1.49 -0.57 0.00 0.00 179.45 179.97 2kl8 h GLU 67 N 0.00 0.50 -0.24 3.15 4.81 0.18 -3.28 114.58 119.70 2kl8 h GLU 67 Ca -0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2kl8 h GLU 67 Cb 0.78 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2kl8 h GLU 67 CO 0.05 1.17 0.00 1.19 -0.73 0.00 0.00 179.01 180.69 2kl8 n PHE 68 N -3.78 0.32 -1.14 0.92 3.72 -0.45 -4.98 117.46 112.07 2kl8 n PHE 68 Ca -0.08 -0.37 -0.05 0.00 -0.05 0.00 0.00 57.45 56.90 2kl8 n PHE 68 Cb 0.84 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 39.34 2kl8 n PHE 68 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kl8 n ASN 69 N 0.46 -4.95 -4.51 4.37 2.85 0.15 -4.99 115.26 108.65 2kl8 n ASN 69 Ca 0.09 0.12 -0.25 0.00 -0.11 0.00 0.00 54.58 54.43 2kl8 n ASN 69 Cb 0.37 -2.88 0.13 0.00 1.24 0.00 0.00 39.78 38.64 2kl8 n ASN 69 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2kl8 s ILE 70 N -1.73 2.08 0.19 -1.44 -4.36 -0.28 -4.95 121.20 110.70 2kl8 s ILE 70 Ca 0.00 -0.43 0.06 0.00 -0.26 0.00 0.00 60.65 60.02 2kl8 s ILE 70 Cb 0.00 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 2kl8 s ILE 70 CO 0.00 0.00 0.11 0.42 0.24 0.00 0.00 174.94 175.71 2kl8 s THR 71 N -3.36 4.28 -0.12 8.37 -4.23 -0.57 -4.42 115.64 115.58 2kl8 s THR 71 Ca 0.69 -1.25 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 2kl8 s THR 71 Cb -0.05 -3.21 0.05 0.00 1.34 0.00 0.00 72.50 70.63 2kl8 s THR 71 CO 0.47 -0.17 0.29 0.54 -0.54 0.00 0.00 174.62 175.21 2kl8 s VAL 72 N -1.85 -0.03 -0.09 2.29 0.11 -1.26 -0.73 120.40 118.85 2kl8 s VAL 72 Ca 0.31 0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 59.46 2kl8 s VAL 72 Cb -0.09 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2kl8 s VAL 72 CO 0.23 0.05 -0.05 0.42 -3.33 0.00 0.00 175.10 172.41 2kl8 s THR 73 N 1.09 0.76 -0.06 5.04 -4.23 0.18 -5.00 115.64 113.42 2kl8 s THR 73 Ca -0.08 -0.14 0.02 0.00 -1.18 0.00 0.00 61.69 60.31 2kl8 s THR 73 Cb -0.08 -0.82 0.01 0.00 1.34 0.00 0.00 72.50 72.95 2kl8 s THR 73 CO -0.08 0.31 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.48 2kl8 s TYR 74 N 1.64 1.36 -0.20 3.99 -0.85 -1.26 -0.63 117.35 121.40 2kl8 s TYR 74 Ca 0.02 -0.49 -0.02 0.00 -0.52 0.00 0.00 57.07 56.06 2kl8 s TYR 74 Cb -0.13 -1.01 -0.00 0.00 0.38 0.00 0.00 41.96 41.20 2kl8 s TYR 74 CO -0.05 -0.26 -0.09 0.99 -1.52 0.00 0.00 175.55 174.62 2kl8 s THR 75 N 0.68 3.07 -0.22 -3.49 2.01 -0.32 -4.97 115.64 112.39 2kl8 s THR 75 Ca -0.14 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 2kl8 s THR 75 Cb -0.16 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 2kl8 s THR 75 CO 0.03 0.46 0.13 -0.63 -0.69 0.00 0.00 174.62 173.93 2kl8 s ILE 76 N 1.23 5.20 -0.67 1.82 1.01 -1.26 -1.15 121.20 127.38 2kl8 s ILE 76 Ca 0.02 0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.53 2kl8 s ILE 76 Cb -0.14 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2kl8 s ILE 76 CO -0.03 0.39 1.53 -0.13 0.00 0.00 0.00 174.94 176.70 2kl8 s ARG 77 N 0.80 2.98 -0.21 2.79 1.81 0.81 -4.97 118.95 122.96 2kl8 s ARG 77 Ca 0.07 0.19 0.01 0.00 -1.72 0.00 0.00 55.73 54.28 2kl8 s ARG 77 Cb -0.13 -4.26 0.04 0.00 -0.45 0.00 0.00 34.95 30.16 2kl8 s ARG 77 CO 0.02 -2.36 -0.11 -1.17 -0.68 0.00 0.00 175.30 171.01 2kl8 s LEU 78 N 7.13 2.41 0.17 2.53 0.20 -1.26 -3.69 118.68 126.17 2kl8 s LEU 78 Ca 0.50 -0.94 -0.30 0.00 0.69 0.00 0.00 54.13 54.08 2kl8 s LEU 78 Cb -0.10 -1.28 -0.08 0.00 -0.43 0.00 0.00 46.19 44.30 2kl8 s LEU 78 CO 0.19 -0.15 1.24 -0.70 -0.29 0.00 0.00 176.35 176.64 2kl8 s GLU 79 N 1.36 4.45 -0.95 1.98 2.12 -1.26 -4.94 118.70 121.45 2kl8 s GLU 79 Ca -0.02 1.93 -0.24 0.00 0.36 0.00 0.00 54.97 57.00 2kl8 s GLU 79 Cb -0.17 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2kl8 s GLU 79 CO -0.08 -0.17 1.87 -1.58 -0.54 0.00 0.00 175.26 174.76 2kl8 s HIS 80 N 0.16 1.94 -2.00 5.30 5.65 -1.26 -4.82 115.29 120.26 2kl8 s HIS 80 Ca 0.55 0.38 0.22 0.00 0.25 0.00 0.00 55.06 56.46 2kl8 s HIS 80 Cb -0.34 -4.14 1.31 0.00 -1.18 0.00 0.00 32.58 28.24 2kl8 s HIS 80 CO 0.36 -1.73 1.72 1.58 -0.65 0.00 0.00 174.74 176.02 2kl8 n HIS 81 N 13.22 0.00 -3.88 3.88 -0.00 -1.26 -3.98 115.22 123.19 2kl8 n HIS 81 Ca 0.40 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.28 2kl8 n HIS 81 Cb 0.47 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.21 2kl8 n HIS 81 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kl8 s HIS 82 N -2.00 2.86 0.10 1.57 3.76 -1.26 -5.01 115.29 115.30 2kl8 s HIS 82 Ca 0.33 -2.89 -0.23 0.00 -0.15 0.00 0.00 55.06 52.12 2kl8 s HIS 82 Cb 0.15 -2.53 -0.13 0.00 1.11 0.00 0.00 32.58 31.18 2kl8 s HIS 82 CO 0.25 -0.78 1.73 1.25 -0.85 0.00 0.00 174.74 176.34 2kl8 h HIS 83 N 6.75 -0.04 -1.78 1.40 2.76 -2.02 -3.35 115.15 118.87 2kl8 h HIS 83 Ca -0.06 0.00 -0.47 0.00 -2.20 0.00 0.00 60.37 57.64 2kl8 h HIS 83 Cb 0.92 0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.86 2kl8 h HIS 83 CO 0.50 -0.03 1.22 -3.38 -1.30 0.00 0.00 177.93 174.94 2kl8 s HIS 84 N -6.19 1.78 0.00 5.26 -3.43 -1.26 -5.19 115.29 106.26 2kl8 s HIS 84 Ca -0.13 0.62 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 2kl8 s HIS 84 Cb 0.07 -4.16 0.00 0.00 -1.43 0.00 0.00 32.58 27.06 2kl8 s HIS 84 CO 0.66 -2.17 0.00 0.72 -2.00 0.00 0.00 174.74 171.95