#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 2.58 -0.11 2.12 8.01 -1.26 -2.19 118.70 127.85 2kl8 s GLU 2 Ca 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 54.97 54.20 2kl8 s GLU 2 Cb 0.00 -2.54 0.06 0.00 -4.31 0.00 0.00 34.13 27.33 2kl8 s GLU 2 CO 0.00 0.59 0.19 0.00 0.01 0.00 0.00 175.26 176.05 2kl8 s MET 3 N -1.74 0.07 -0.12 1.61 0.23 -0.77 -4.18 119.30 114.40 2kl8 s MET 3 Ca 0.20 0.57 -0.17 0.00 -1.03 0.00 0.00 55.69 55.27 2kl8 s MET 3 Cb -0.11 -0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 32.84 2kl8 s MET 3 CO 0.11 -0.33 0.43 -0.51 -2.03 0.00 0.00 175.02 172.70 2kl8 s ASP 4 N 2.33 6.64 -0.17 -1.18 1.11 -0.66 -1.56 116.67 123.18 2kl8 s ASP 4 Ca 0.03 0.76 -0.02 0.00 0.18 0.00 0.00 52.55 53.50 2kl8 s ASP 4 Cb -0.12 -2.26 0.05 0.00 1.07 0.00 0.00 42.92 41.65 2kl8 s ASP 4 CO -0.07 0.05 0.00 -0.63 1.18 0.00 0.00 175.17 175.70 2kl8 s ILE 5 N 0.46 0.69 -0.25 0.77 1.01 0.10 -0.12 121.20 123.86 2kl8 s ILE 5 Ca 0.24 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 2kl8 s ILE 5 Cb -0.15 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2kl8 s ILE 5 CO 0.09 -0.05 0.13 -0.13 0.00 0.00 0.00 174.94 174.98 2kl8 s ARG 6 N 1.80 3.86 -0.22 2.79 0.52 0.61 -0.14 118.95 128.16 2kl8 s ARG 6 Ca 0.00 -0.38 -0.09 0.00 -0.52 0.00 0.00 55.73 54.74 2kl8 s ARG 6 Cb -0.16 -3.47 -0.05 0.00 0.52 0.00 0.00 34.95 31.80 2kl8 s ARG 6 CO -0.07 -0.10 0.13 -0.06 0.02 0.00 0.00 175.30 175.21 2kl8 s PHE 7 N 1.46 3.29 -0.02 -0.53 0.08 -0.30 -1.38 117.98 120.59 2kl8 s PHE 7 Ca 0.06 0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.25 2kl8 s PHE 7 Cb -0.15 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2kl8 s PHE 7 CO 0.06 0.06 0.03 0.50 -0.10 0.00 0.00 175.22 175.77 2kl8 s ARG 8 N 0.90 -0.02 0.00 0.44 3.52 -0.42 -1.48 118.95 121.88 2kl8 s ARG 8 Ca 0.06 0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 2kl8 s ARG 8 Cb -0.13 -0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.08 2kl8 s ARG 8 CO 0.03 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2kl8 n GLY 9 N 3.89 -1.62 3.48 8.12 0.00 -1.26 -0.22 105.19 117.58 2kl8 n GLY 9 Ca -0.24 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 2kl8 n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kl8 s ASP 10 N -2.53 6.78 0.00 1.61 1.11 -1.26 -4.90 116.67 117.49 2kl8 s ASP 10 Ca 0.00 -2.32 0.00 0.00 0.18 0.00 0.00 52.55 50.41 2kl8 s ASP 10 Cb 0.00 -2.44 0.00 0.00 1.07 0.00 0.00 42.92 41.55 2kl8 s ASP 10 CO 0.00 -1.03 0.00 -0.67 1.18 0.00 0.00 175.17 174.65 2kl8 n ASP 11 N 6.75 0.00 -0.04 0.27 -0.08 -1.26 -5.04 116.55 117.14 2kl8 n ASP 11 Ca 0.32 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.53 2kl8 n ASP 11 Cb 0.47 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.89 2kl8 n ASP 11 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2kl8 n LEU 12 N 0.00 1.89 0.27 -2.67 7.94 -1.26 -4.63 117.00 118.54 2kl8 n LEU 12 Ca 0.00 0.03 0.12 0.00 -1.11 0.00 0.00 56.01 55.05 2kl8 n LEU 12 Cb 0.00 -0.27 0.74 0.00 0.53 0.00 0.00 43.42 44.42 2kl8 n LEU 12 CO 0.00 0.43 1.00 -0.33 -1.11 0.00 0.00 177.39 177.38 2kl8 h GLU 13 N -0.14 0.00 -0.61 1.96 3.07 -2.01 -2.05 114.58 114.79 2kl8 h GLU 13 Ca -0.20 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 58.84 2kl8 h GLU 13 Cb 1.24 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 2kl8 h GLU 13 CO -0.08 0.10 0.47 0.00 -1.40 0.00 0.00 179.01 178.10 2kl8 h ALA 14 N 1.90 2.51 0.72 3.43 0.00 -1.98 0.10 119.26 125.94 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 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kl8 h ALA 14 CO 0.01 -0.78 -0.50 0.35 0.00 0.00 0.00 179.25 178.33 2kl8 h PHE 15 N 0.00 -1.34 -0.35 0.00 3.57 -1.67 -1.62 116.94 115.54 2kl8 h PHE 15 Ca 0.29 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.63 2kl8 h PHE 15 Cb 1.23 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 2kl8 h PHE 15 CO 0.00 -0.72 -0.38 1.05 -2.23 0.00 0.00 178.31 176.03 2kl8 h GLU 16 N -1.16 0.82 0.20 1.11 4.11 -1.51 -2.56 114.58 115.59 2kl8 h GLU 16 Ca -0.10 -0.42 0.01 0.00 0.07 0.00 0.00 59.36 58.92 2kl8 h GLU 16 Cb 0.94 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2kl8 h GLU 16 CO 0.06 1.05 -0.24 0.87 0.07 0.00 0.00 179.01 180.83 2kl8 h LYS 17 N 0.67 -0.47 -0.10 1.06 1.79 -0.84 0.17 116.57 118.86 2kl8 h LYS 17 Ca 0.06 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 2kl8 h LYS 17 Cb 0.94 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2kl8 h LYS 17 CO 0.09 -0.31 -0.01 0.00 -1.08 0.00 0.00 179.45 178.13 2kl8 h ALA 18 N 0.22 0.14 -0.04 3.86 0.00 -1.35 -2.88 119.26 119.21 2kl8 h ALA 18 Ca 0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kl8 h ALA 18 Cb 0.47 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kl8 h ALA 18 CO -0.08 -0.15 0.01 1.25 0.00 0.00 0.00 179.25 180.29 2kl8 h LEU 19 N -0.11 0.06 0.06 0.00 5.85 -1.43 -2.71 115.31 117.02 2kl8 h LEU 19 Ca 0.03 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2kl8 h LEU 19 Cb 0.40 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2kl8 h LEU 19 CO 0.01 0.23 -0.03 0.50 -0.34 0.00 0.00 178.44 178.81 2kl8 h LYS 20 N -0.12 -0.08 -0.54 1.25 1.63 -0.72 -1.82 116.57 116.17 2kl8 h LYS 20 Ca 0.01 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2kl8 h LYS 20 Cb 0.19 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 2kl8 h LYS 20 CO -0.00 0.01 0.27 0.93 -3.45 0.00 0.00 179.45 177.21 2kl8 h GLU 21 N -0.15 0.77 -0.47 1.90 4.39 -1.58 0.70 114.58 120.14 2kl8 h GLU 21 Ca -0.01 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.59 2kl8 h GLU 21 Cb 0.13 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2kl8 h GLU 21 CO 0.01 0.62 0.31 0.52 -1.16 0.00 0.00 179.01 179.31 2kl8 h MET 22 N 0.73 0.61 -0.61 2.33 2.86 -1.37 -1.27 114.93 118.20 2kl8 h MET 22 Ca 0.19 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2kl8 h MET 22 Cb 0.10 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2kl8 h MET 22 CO -0.03 0.40 0.24 0.82 1.06 0.00 0.00 176.91 179.41 2kl8 h ILE 23 N 0.63 1.23 -0.94 -1.22 2.04 -1.11 0.29 117.51 118.42 2kl8 h ILE 23 Ca 0.17 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.38 2kl8 h ILE 23 Cb -0.06 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 2kl8 h ILE 23 CO -0.04 0.28 0.61 -0.09 0.00 0.00 0.00 178.15 178.91 2kl8 h ARG 24 N 0.85 1.04 0.00 2.37 1.12 -0.35 0.53 114.38 119.95 2kl8 h ARG 24 Ca 0.20 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 59.01 2kl8 h ARG 24 Cb 0.21 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2kl8 h ARG 24 CO -0.02 0.69 -0.00 1.96 -3.11 0.00 0.00 179.97 179.49 2kl8 h GLN 25 N 1.08 -0.01 -0.84 0.20 1.08 -1.07 -3.38 115.11 112.17 2kl8 h GLN 25 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 2kl8 h GLN 25 Cb 0.20 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.59 2kl8 h GLN 25 CO -0.16 0.77 0.53 0.00 -0.95 0.00 0.00 178.83 179.02 2kl8 h ALA 26 N 0.19 1.34 -0.22 3.87 0.00 -0.60 -1.98 119.26 121.85 2kl8 h ALA 26 Ca -0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kl8 h ALA 26 Cb 0.78 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kl8 h ALA 26 CO 0.00 0.58 0.21 0.07 0.00 0.00 0.00 179.25 180.11 2kl8 h ARG 27 N 1.16 0.00 -0.67 0.00 -0.00 -1.07 0.42 114.38 114.23 2kl8 h ARG 27 Ca 0.31 0.00 0.14 0.00 -0.00 0.00 0.00 59.98 60.42 2kl8 h ARG 27 Cb -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 29.85 2kl8 h ARG 27 CO -0.06 0.00 0.45 -0.22 -0.00 0.00 0.00 179.97 180.14 2kl8 h LYS 28 N 0.00 0.30 0.00 0.08 3.64 -1.53 -3.44 116.57 115.63 2kl8 h LYS 28 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2kl8 h LYS 28 Cb 0.52 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2kl8 h LYS 28 CO -0.00 0.20 0.00 1.19 -2.27 0.00 0.00 179.45 178.57 2kl8 n PHE 29 N -4.45 -1.00 0.87 1.91 3.72 0.14 -5.01 117.46 113.64 2kl8 n PHE 29 Ca 0.12 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.54 2kl8 n PHE 29 Cb 0.51 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.14 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 2.70 -2.59 4.37 0.00 -1.26 -4.86 120.51 115.87 2kl8 n ALA 30 Ca 0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 2kl8 n ALA 30 Cb 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.42 1.25 0.09 0.00 0.00 -1.25 -4.74 107.32 102.25 2kl8 s GLY 31 Ca 0.11 -0.69 -0.27 0.00 0.00 0.00 0.00 44.72 43.87 2kl8 s GLY 31 CO 0.05 2.40 0.84 -1.59 0.00 0.00 0.00 173.10 174.79 2kl8 s THR 32 N 4.57 4.58 -0.17 0.90 2.01 -0.53 -4.34 115.64 122.67 2kl8 s THR 32 Ca 0.44 1.80 -0.02 0.00 0.31 0.00 0.00 61.69 64.23 2kl8 s THR 32 Cb -0.08 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 2kl8 s THR 32 CO 0.28 0.37 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.80 2kl8 s VAL 33 N -0.22 3.17 0.15 3.82 1.01 -1.26 -0.29 120.40 126.78 2kl8 s VAL 33 Ca 0.41 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.90 2kl8 s VAL 33 Cb -0.22 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2kl8 s VAL 33 CO 0.26 0.48 -0.22 0.28 0.00 0.00 0.00 175.10 175.90 2kl8 s THR 34 N 0.86 2.04 -0.05 3.92 -1.32 -0.15 -5.01 115.64 115.92 2kl8 s THR 34 Ca -0.03 -1.82 -0.06 0.00 -1.21 0.00 0.00 61.69 58.57 2kl8 s THR 34 Cb -0.15 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 68.97 2kl8 s THR 34 CO 0.01 -0.11 0.16 -0.72 -2.21 0.00 0.00 174.62 171.75 2kl8 s TYR 35 N -1.51 -0.14 -0.02 9.09 1.13 -1.26 -0.42 117.35 124.22 2kl8 s TYR 35 Ca 0.14 0.35 0.02 0.00 -1.41 0.00 0.00 57.07 56.17 2kl8 s TYR 35 Cb -0.08 0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 2kl8 s TYR 35 CO 0.07 -0.12 -0.07 0.95 -2.51 0.00 0.00 175.55 173.87 2kl8 s THR 36 N -0.17 0.61 -0.12 -3.49 -4.23 -0.04 -4.97 115.64 103.24 2kl8 s THR 36 Ca -0.03 -0.26 -0.22 0.00 -1.18 0.00 0.00 61.69 60.00 2kl8 s THR 36 Cb -0.02 -0.56 -0.03 0.00 1.34 0.00 0.00 72.50 73.23 2kl8 s THR 36 CO 0.00 0.20 0.67 -0.76 -0.54 0.00 0.00 174.62 174.20 2kl8 s LEU 37 N 0.25 4.25 -0.43 4.79 2.01 -1.26 -0.54 118.68 127.76 2kl8 s LEU 37 Ca -0.03 1.05 0.03 0.00 0.01 0.00 0.00 54.13 55.19 2kl8 s LEU 37 Cb -0.08 -3.01 0.12 0.00 0.01 0.00 0.00 46.19 43.23 2kl8 s LEU 37 CO 0.00 -0.18 0.17 -0.62 1.01 0.00 0.00 176.35 176.74 2kl8 s ASP 38 N 0.92 4.30 0.00 2.29 2.15 -0.55 -4.99 116.67 120.79 2kl8 s ASP 38 Ca 0.34 -2.53 0.00 0.00 0.43 0.00 0.00 52.55 50.79 2kl8 s ASP 38 Cb -0.17 -1.44 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 2kl8 s ASP 38 CO 0.14 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 2kl8 n GLY 39 N 3.73 1.36 0.07 2.66 0.00 -1.26 -2.55 105.19 109.20 2kl8 n GLY 39 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 2.91 0.03 -4.14 1.61 0.23 -1.26 -5.10 115.26 109.53 2kl8 n ASN 40 Ca 0.00 -1.15 -0.09 0.00 -0.53 0.00 0.00 54.58 52.81 2kl8 n ASN 40 Cb 0.00 -0.03 -0.10 0.00 -2.08 0.00 0.00 39.78 37.57 2kl8 n ASN 40 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2kl8 s ASP 41 N -0.15 0.88 -0.26 0.53 1.47 -1.06 -4.55 116.67 113.53 2kl8 s ASP 41 Ca 0.00 -1.00 -0.08 0.00 1.18 0.00 0.00 52.55 52.65 2kl8 s ASP 41 Cb 0.00 0.14 -0.03 0.00 -0.34 0.00 0.00 42.92 42.69 2kl8 s ASP 41 CO 0.00 -0.52 0.09 -0.22 0.68 0.00 0.00 175.17 175.20 2kl8 s LEU 42 N -2.99 3.57 -0.55 2.11 2.96 -0.55 -1.48 118.68 121.75 2kl8 s LEU 42 Ca 0.10 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 53.54 2kl8 s LEU 42 Cb 0.06 -1.94 0.06 0.00 0.50 0.00 0.00 46.19 44.87 2kl8 s LEU 42 CO -0.07 -0.06 0.77 -1.61 -1.32 0.00 0.00 176.35 174.06 2kl8 s GLU 43 N 1.62 3.17 -0.40 1.98 2.02 0.30 -1.15 118.70 126.25 2kl8 s GLU 43 Ca 0.06 -0.76 -0.13 0.00 0.02 0.00 0.00 54.97 54.17 2kl8 s GLU 43 Cb -0.15 -4.12 0.03 0.00 0.10 0.00 0.00 34.13 29.98 2kl8 s GLU 43 CO 0.04 -1.42 0.26 0.42 0.02 0.00 0.00 175.26 174.58 2kl8 s ILE 44 N 3.21 4.87 -0.18 -1.63 1.01 0.80 -0.86 121.20 128.43 2kl8 s ILE 44 Ca 0.20 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 2kl8 s ILE 44 Cb -0.18 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2kl8 s ILE 44 CO 0.13 -0.30 -0.05 -0.60 0.00 0.00 0.00 174.94 174.12 2kl8 s ARG 45 N 1.60 3.51 -0.08 2.79 3.52 0.44 0.01 118.95 130.74 2kl8 s ARG 45 Ca 0.03 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 2kl8 s ARG 45 Cb -0.19 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 2kl8 s ARG 45 CO 0.08 0.06 -0.02 0.42 -0.81 0.00 0.00 175.30 175.03 2kl8 s ILE 46 N 0.81 4.10 -0.09 4.11 1.01 -0.60 -0.98 121.20 129.56 2kl8 s ILE 46 Ca -0.02 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2kl8 s ILE 46 Cb -0.15 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 2kl8 s ILE 46 CO 0.02 0.60 -0.24 -0.89 0.00 0.00 0.00 174.94 174.43 2kl8 s THR 47 N -0.80 2.01 -0.42 2.92 2.01 0.60 -1.85 115.64 120.11 2kl8 s THR 47 Ca 0.12 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 2kl8 s THR 47 Cb -0.11 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.66 2kl8 s THR 47 CO 0.02 0.55 0.37 0.61 -0.69 0.00 0.00 174.62 175.48 2kl8 n GLY 48 N 3.47 0.47 3.91 4.40 0.00 -0.93 -1.45 105.19 115.06 2kl8 n GLY 48 Ca -0.19 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.10 5.15 -0.15 1.61 -7.23 -1.22 -3.83 120.40 111.63 2kl8 s VAL 49 Ca 0.17 -0.11 -0.34 0.00 -1.81 0.00 0.00 61.98 59.90 2kl8 s VAL 49 Cb -0.08 -3.69 -0.11 0.00 0.56 0.00 0.00 36.38 33.06 2kl8 s VAL 49 CO 0.23 -0.13 1.98 -0.81 -0.31 0.00 0.00 175.10 176.06 2kl8 n PRO 50 N -0.44 1.98 -0.21 4.82 -0.04 -1.26 -4.61 135.00 135.24 2kl8 n PRO 50 Ca -0.03 0.69 0.30 0.00 -0.04 0.00 0.00 63.50 64.42 2kl8 n PRO 50 Cb 0.53 -2.70 0.73 0.00 -0.04 0.00 0.00 33.50 32.02 2kl8 n PRO 50 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2kl8 h GLU 51 N 10.51 0.00 0.00 0.54 -0.00 -1.96 -1.18 114.58 122.49 2kl8 h GLU 51 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 58.82 2kl8 h GLU 51 Cb 1.28 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.03 2kl8 h GLU 51 CO 0.96 0.00 -0.36 -0.56 -0.00 0.00 0.00 179.01 179.05 2kl8 h GLN 52 N 0.00 0.24 0.00 1.06 3.07 -2.05 -3.25 115.11 114.19 2kl8 h GLN 52 Ca 0.46 -0.26 0.00 0.00 0.09 0.00 0.00 58.65 58.93 2kl8 h GLN 52 Cb 1.83 0.08 0.00 0.00 0.08 0.00 0.00 27.48 29.47 2kl8 h GLN 52 CO -0.00 0.99 0.00 0.28 0.09 0.00 0.00 178.83 180.18 2kl8 h VAL 53 N -0.40 0.00 -1.25 1.86 2.07 -1.65 -2.85 116.25 114.03 2kl8 h VAL 53 Ca -0.05 -0.38 0.36 0.00 0.82 0.00 0.00 66.70 67.46 2kl8 h VAL 53 Cb 1.12 1.37 -0.09 0.00 -1.52 0.00 0.00 31.29 32.18 2kl8 h VAL 53 CO 0.07 0.00 0.85 -0.09 0.02 0.00 0.00 177.57 178.42 2kl8 h ARG 54 N 0.00 0.15 -0.48 1.57 2.43 -1.32 -0.23 114.38 116.50 2kl8 h ARG 54 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kl8 h ARG 54 Cb 0.38 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2kl8 h ARG 54 CO 0.00 0.10 0.31 1.57 -1.51 0.00 0.00 179.97 180.44 2kl8 h LYS 55 N 0.15 0.64 -0.03 0.20 2.10 -1.70 -0.45 116.57 117.49 2kl8 h LYS 55 Ca 0.67 -0.05 -0.19 0.00 -2.00 0.00 0.00 60.65 59.08 2kl8 h LYS 55 Cb 2.24 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 33.42 2kl8 h LYS 55 CO -0.20 0.44 -0.82 0.93 -2.00 0.00 0.00 179.45 177.80 2kl8 h GLU 56 N 0.65 0.31 -0.13 0.07 4.39 -1.30 -1.54 114.58 117.03 2kl8 h GLU 56 Ca 0.18 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2kl8 h GLU 56 Cb -0.05 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2kl8 h GLU 56 CO -0.04 0.97 0.05 -0.07 -1.16 0.00 0.00 179.01 178.77 2kl8 h LEU 57 N 0.19 0.18 -0.57 1.33 3.38 -1.10 0.14 115.31 118.86 2kl8 h LEU 57 Ca -0.04 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 2kl8 h LEU 57 Cb 1.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2kl8 h LEU 57 CO 0.13 0.30 -0.22 0.00 0.09 0.00 0.00 178.44 178.75 2kl8 h ALA 58 N 0.89 0.76 -0.68 1.53 0.00 -1.14 -2.51 119.26 118.11 2kl8 h ALA 58 Ca 0.04 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2kl8 h ALA 58 Cb 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kl8 h ALA 58 CO -0.00 0.66 0.43 -0.22 0.00 0.00 0.00 179.25 180.11 2kl8 h LYS 59 N 0.79 0.82 -0.76 0.00 3.64 -1.13 -2.35 116.57 117.57 2kl8 h LYS 59 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2kl8 h LYS 59 Cb 0.77 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2kl8 h LYS 59 CO 0.06 0.54 0.49 1.49 -2.27 0.00 0.00 179.45 179.76 2kl8 h GLU 60 N 0.84 1.01 -0.38 1.90 4.57 -0.58 -1.35 114.58 120.59 2kl8 h GLU 60 Ca 0.27 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.45 2kl8 h GLU 60 Cb 0.01 -0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 28.31 2kl8 h GLU 60 CO -0.10 0.68 -0.01 0.00 -1.18 0.00 0.00 179.01 178.40 2kl8 h ALA 61 N 1.27 0.34 -0.51 2.92 0.00 -0.99 0.45 119.26 122.74 2kl8 h ALA 61 Ca 0.28 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2kl8 h ALA 61 Cb -0.10 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kl8 h ALA 61 CO -0.06 -0.40 0.14 0.93 0.00 0.00 0.00 179.25 179.86 2kl8 h GLU 62 N 0.09 0.76 -0.30 0.00 5.08 -1.16 -1.88 114.58 117.17 2kl8 h GLU 62 Ca 0.18 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 2kl8 h GLU 62 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2kl8 h GLU 62 CO -0.32 0.68 -0.35 -0.09 -1.00 0.00 0.00 179.01 177.93 2kl8 h ARG 63 N 0.74 0.68 -0.61 2.33 9.65 -0.17 -0.87 114.38 126.13 2kl8 h ARG 63 Ca 0.17 -0.33 0.01 0.00 -1.10 0.00 0.00 59.98 58.73 2kl8 h ARG 63 Cb 0.25 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 2kl8 h ARG 63 CO -0.00 0.93 0.40 -0.07 2.80 0.00 0.00 179.97 184.03 2kl8 h LEU 64 N 0.57 0.68 -0.14 3.80 3.38 0.22 0.62 115.31 124.44 2kl8 h LEU 64 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kl8 h LEU 64 Cb 0.87 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2kl8 h LEU 64 CO 0.08 0.48 0.08 0.00 0.09 0.00 0.00 178.44 179.17 2kl8 h ALA 65 N 1.24 0.18 -0.37 1.53 0.00 -1.14 -2.87 119.26 117.83 2kl8 h ALA 65 Ca 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kl8 h ALA 65 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kl8 h ALA 65 CO -0.07 -0.31 0.21 0.87 0.00 0.00 0.00 179.25 179.95 2kl8 h LYS 66 N 0.15 0.50 -0.77 0.00 1.79 -0.80 0.76 116.57 118.20 2kl8 h LYS 66 Ca 0.05 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.54 2kl8 h LYS 66 Cb 0.03 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 2kl8 h LYS 66 CO -0.01 0.36 0.50 1.49 -1.08 0.00 0.00 179.45 180.71 2kl8 h GLU 67 N 0.51 0.80 -0.24 3.15 4.81 -0.65 -1.91 114.58 121.05 2kl8 h GLU 67 Ca 0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2kl8 h GLU 67 Cb -0.00 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2kl8 h GLU 67 CO -0.02 0.53 0.00 1.19 -0.73 0.00 0.00 179.01 179.98 2kl8 n PHE 68 N -4.48 0.32 -2.28 0.92 3.72 -0.87 -4.98 117.46 109.81 2kl8 n PHE 68 Ca 0.11 -0.35 -0.16 0.00 -0.05 0.00 0.00 57.45 57.00 2kl8 n PHE 68 Cb 0.22 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 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 0.52 -4.78 -4.29 4.37 3.02 0.23 -4.84 115.26 109.49 2kl8 n ASN 69 Ca 0.10 0.14 -0.18 0.00 -0.03 0.00 0.00 54.58 54.60 2kl8 n ASN 69 Cb 0.38 -4.06 0.09 0.00 -0.61 0.00 0.00 39.78 35.57 2kl8 n ASN 69 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2kl8 n ILE 70 N -3.45 0.00 -3.42 2.41 -5.35 0.57 -4.93 119.36 105.19 2kl8 n ILE 70 Ca -0.19 -1.45 -0.37 0.00 -0.27 0.00 0.00 62.75 60.47 2kl8 n ILE 70 Cb 0.63 -0.83 -0.06 0.00 -1.74 0.00 0.00 39.64 37.64 2kl8 n ILE 70 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2kl8 s THR 71 N -2.40 4.93 -0.09 7.28 2.01 0.69 -4.58 115.64 123.48 2kl8 s THR 71 Ca 0.55 0.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.43 2kl8 s THR 71 Cb -0.04 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.75 2kl8 s THR 71 CO 0.36 0.49 0.01 0.54 -0.69 0.00 0.00 174.62 175.32 2kl8 s VAL 72 N -1.19 0.39 -0.20 3.82 0.11 -1.26 -1.31 120.40 120.77 2kl8 s VAL 72 Ca 0.28 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.35 2kl8 s VAL 72 Cb -0.17 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 2kl8 s VAL 72 CO 0.16 0.20 -0.11 0.42 -3.33 0.00 0.00 175.10 172.44 2kl8 s THR 73 N 1.96 2.84 -0.03 5.04 -4.23 -0.48 -4.97 115.64 115.77 2kl8 s THR 73 Ca 0.04 -0.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.92 2kl8 s THR 73 Cb -0.13 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 2kl8 s THR 73 CO -0.06 0.48 -0.15 -0.72 -0.54 0.00 0.00 174.62 173.63 2kl8 s TYR 74 N 1.31 1.45 -0.29 3.99 1.13 -1.26 -0.28 117.35 123.40 2kl8 s TYR 74 Ca 0.04 -0.35 -0.03 0.00 -1.41 0.00 0.00 57.07 55.32 2kl8 s TYR 74 Cb -0.14 -0.97 0.04 0.00 -1.10 0.00 0.00 41.96 39.79 2kl8 s TYR 74 CO -0.06 -0.10 0.00 0.99 -2.51 0.00 0.00 175.55 173.88 2kl8 s THR 75 N -0.10 3.13 -0.19 -3.49 2.01 0.82 -4.98 115.64 112.84 2kl8 s THR 75 Ca 0.00 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.80 2kl8 s THR 75 Cb -0.09 -2.73 0.04 0.00 0.01 0.00 0.00 72.50 69.73 2kl8 s THR 75 CO 0.01 -0.02 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.16 2kl8 s ILE 76 N 1.31 1.77 -0.20 1.82 1.01 -1.26 -1.66 121.20 123.99 2kl8 s ILE 76 Ca -0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 2kl8 s ILE 76 Cb -0.19 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.53 2kl8 s ILE 76 CO -0.01 0.26 -0.15 -0.13 0.00 0.00 0.00 174.94 174.91 2kl8 s ARG 77 N 1.36 3.06 0.53 2.79 0.52 -1.26 -5.10 118.95 120.84 2kl8 s ARG 77 Ca 0.00 -0.80 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 2kl8 s ARG 77 Cb -0.15 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.60 2kl8 s ARG 77 CO -0.09 -0.23 0.81 -0.51 0.02 0.00 0.00 175.30 175.30 2kl8 s LEU 78 N 1.33 3.40 0.43 2.53 2.01 -1.26 -4.66 118.68 122.47 2kl8 s LEU 78 Ca 0.04 0.54 -0.23 0.00 0.01 0.00 0.00 54.13 54.50 2kl8 s LEU 78 Cb -0.14 -3.39 -0.09 0.00 0.01 0.00 0.00 46.19 42.58 2kl8 s LEU 78 CO -0.10 -0.91 1.05 -0.70 1.01 0.00 0.00 176.35 176.70 2kl8 s GLU 79 N -4.81 4.05 0.00 1.70 -6.30 -1.26 -4.98 118.70 107.09 2kl8 s GLU 79 Ca 0.52 1.47 0.00 0.00 -2.50 0.00 0.00 54.97 54.45 2kl8 s GLU 79 Cb -0.10 -2.40 0.00 0.00 0.00 0.00 0.00 34.13 31.63 2kl8 s GLU 79 CO 0.42 -0.24 0.00 -2.39 0.02 0.00 0.00 175.26 173.08 2kl8 n HIS 80 N -0.36 0.00 -1.91 5.30 1.44 -1.26 -5.04 115.22 113.39 2kl8 n HIS 80 Ca 0.06 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.66 2kl8 n HIS 80 Cb 0.50 0.17 -0.03 0.00 0.12 0.00 0.00 29.99 30.76 2kl8 n HIS 80 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kl8 n HIS 81 N -2.69 -1.00 -1.61 -1.40 -0.00 -1.26 -4.85 115.22 102.40 2kl8 n HIS 81 Ca 0.00 0.00 -0.47 0.00 0.46 0.00 0.00 57.72 57.71 2kl8 n HIS 81 Cb 0.30 -2.45 -0.05 0.00 -0.12 0.00 0.00 29.99 27.67 2kl8 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kl8 n HIS 82 N -2.55 2.09 -2.43 1.57 1.44 -1.26 -4.90 115.22 109.17 2kl8 n HIS 82 Ca -0.12 -0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.17 2kl8 n HIS 82 Cb 0.49 -2.66 -0.03 0.00 0.12 0.00 0.00 29.99 27.90 2kl8 n HIS 82 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kl8 s HIS 83 N 5.89 3.47 0.52 -1.40 2.46 -1.26 -5.04 115.29 119.93 2kl8 s HIS 83 Ca 0.98 1.40 0.05 0.00 0.47 0.00 0.00 55.06 57.96 2kl8 s HIS 83 Cb -0.62 -3.39 0.05 0.00 -0.13 0.00 0.00 32.58 28.49 2kl8 s HIS 83 CO 0.46 -1.11 0.44 -2.39 -2.47 0.00 0.00 174.74 169.68 2kl8 n HIS 84 N 3.25 -0.90 1.73 3.88 1.44 -1.26 -5.33 115.22 118.03 2kl8 n HIS 84 Ca 0.06 -2.15 0.14 0.00 -2.01 0.00 0.00 57.72 53.76 2kl8 n HIS 84 Cb 0.46 -0.44 0.82 0.00 0.12 0.00 0.00 29.99 30.95 2kl8 n HIS 84 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25