#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 1.59 -0.16 2.12 2.02 -0.65 -1.84 118.70 121.78 2kl8 s GLU 2 Ca 0.00 -1.79 -0.05 0.00 0.02 0.00 0.00 54.97 53.14 2kl8 s GLU 2 Cb 0.00 -1.29 0.08 0.00 0.10 0.00 0.00 34.13 33.02 2kl8 s GLU 2 CO 0.00 0.09 0.31 1.41 0.02 0.00 0.00 175.26 177.09 2kl8 s MET 3 N -3.69 0.21 -0.51 1.61 1.75 -0.72 -2.82 119.30 115.13 2kl8 s MET 3 Ca 0.29 0.78 -0.19 0.00 -1.25 0.00 0.00 55.69 55.33 2kl8 s MET 3 Cb 0.03 -0.03 0.07 0.00 2.84 0.00 0.00 34.83 37.73 2kl8 s MET 3 CO 0.12 -0.32 0.61 -0.51 -0.65 0.00 0.00 175.02 174.28 2kl8 s ASP 4 N 2.47 6.21 0.02 1.11 1.01 0.16 -1.26 116.67 126.40 2kl8 s ASP 4 Ca 0.01 -1.01 0.01 0.00 0.71 0.00 0.00 52.55 52.27 2kl8 s ASP 4 Cb -0.12 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 2kl8 s ASP 4 CO -0.10 -0.90 0.07 -0.63 0.21 0.00 0.00 175.17 173.82 2kl8 s ILE 5 N 2.55 4.60 -0.11 0.77 1.01 0.08 -0.01 121.20 130.08 2kl8 s ILE 5 Ca 0.14 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 2kl8 s ILE 5 Cb -0.20 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.20 2kl8 s ILE 5 CO 0.11 0.30 0.19 0.00 0.00 0.00 0.00 174.94 175.53 2kl8 s ARG 6 N -1.87 0.08 0.24 2.79 1.70 0.20 0.93 118.95 123.00 2kl8 s ARG 6 Ca 0.24 0.52 -0.10 0.00 -0.47 0.00 0.00 55.73 55.92 2kl8 s ARG 6 Cb -0.12 -0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 33.77 2kl8 s ARG 6 CO 0.15 -0.37 0.56 -0.06 -1.08 0.00 0.00 175.30 174.51 2kl8 s PHE 7 N 2.32 3.42 -0.06 5.89 0.40 0.69 -1.90 117.98 128.74 2kl8 s PHE 7 Ca 0.03 0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 57.24 2kl8 s PHE 7 Cb -0.13 -2.28 0.04 0.00 0.51 0.00 0.00 43.02 41.16 2kl8 s PHE 7 CO -0.07 0.26 0.11 0.50 0.70 0.00 0.00 175.22 176.72 2kl8 s ARG 8 N -2.81 -0.02 0.00 0.44 3.00 0.13 -0.41 118.95 119.28 2kl8 s ARG 8 Ca 0.48 0.47 0.00 0.00 -1.00 0.00 0.00 55.73 55.67 2kl8 s ARG 8 Cb -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 34.95 34.46 2kl8 s ARG 8 CO 0.21 -0.31 0.00 0.41 0.00 0.00 0.00 175.30 175.60 2kl8 n GLY 9 N 5.27 -0.90 0.00 8.12 0.00 -0.57 -0.87 105.19 116.25 2kl8 n GLY 9 Ca -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2kl8 n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kl8 n ASP 10 N 0.43 4.59 -4.65 1.61 9.92 -1.26 -4.63 116.55 122.56 2kl8 n ASP 10 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 2kl8 n ASP 10 Cb 0.00 0.84 -0.03 0.00 -0.64 0.00 0.00 41.12 41.29 2kl8 n ASP 10 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2kl8 s ASP 11 N -2.65 6.30 0.11 -2.24 1.11 -1.26 -4.90 116.67 113.14 2kl8 s ASP 11 Ca -0.01 2.50 -0.15 0.00 0.18 0.00 0.00 52.55 55.07 2kl8 s ASP 11 Cb 0.01 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 2kl8 s ASP 11 CO 0.07 -1.19 1.50 0.25 1.18 0.00 0.00 175.17 176.98 2kl8 h LEU 12 N 11.33 0.67 -1.94 1.23 5.85 -2.01 -3.03 115.31 127.41 2kl8 h LEU 12 Ca -0.47 -0.37 0.17 0.00 0.84 0.00 0.00 57.88 58.05 2kl8 h LEU 12 Cb 1.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2kl8 h LEU 12 CO 0.95 0.89 0.45 -0.33 -0.34 0.00 0.00 178.44 180.05 2kl8 h GLU 13 N 0.45 0.06 -0.98 1.25 3.07 -2.02 -1.37 114.58 115.04 2kl8 h GLU 13 Ca 0.08 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.05 2kl8 h GLU 13 Cb 0.60 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.42 2kl8 h GLU 13 CO 0.04 0.04 0.61 0.00 -1.40 0.00 0.00 179.01 178.30 2kl8 h ALA 14 N 1.69 1.44 0.17 3.43 0.00 -1.93 -1.41 119.26 122.65 2kl8 h ALA 14 Ca 0.30 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2kl8 h ALA 14 Cb 1.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2kl8 h ALA 14 CO -0.02 0.25 -0.40 0.35 0.00 0.00 0.00 179.25 179.43 2kl8 h PHE 15 N 1.01 -1.12 0.54 0.00 3.57 -1.41 -1.27 116.94 118.26 2kl8 h PHE 15 Ca 0.47 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.97 2kl8 h PHE 15 Cb 0.41 0.47 0.01 0.00 2.79 0.00 0.00 35.95 39.62 2kl8 h PHE 15 CO -0.01 -0.51 -0.26 1.49 -2.23 0.00 0.00 178.31 176.79 2kl8 h GLU 16 N -0.66 -0.70 -0.28 1.11 4.81 -1.61 -2.28 114.58 114.97 2kl8 h GLU 16 Ca 0.01 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2kl8 h GLU 16 Cb 0.67 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2kl8 h GLU 16 CO -0.21 -0.39 0.18 0.87 -0.73 0.00 0.00 179.01 178.73 2kl8 h LYS 17 N -0.99 0.35 0.22 1.92 1.79 -1.28 -1.56 116.57 117.02 2kl8 h LYS 17 Ca -0.07 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2kl8 h LYS 17 Cb 0.63 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2kl8 h LYS 17 CO 0.12 0.23 -0.11 0.00 -1.08 0.00 0.00 179.45 178.62 2kl8 h ALA 18 N 1.11 -0.30 0.30 3.86 0.00 -1.36 -3.21 119.26 119.67 2kl8 h ALA 18 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kl8 h ALA 18 Cb -0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2kl8 h ALA 18 CO -0.03 -0.29 -0.15 1.25 0.00 0.00 0.00 179.25 180.03 2kl8 h LEU 19 N -1.05 -0.35 -1.63 0.00 5.85 -1.46 -0.88 115.31 115.80 2kl8 h LEU 19 Ca -0.03 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2kl8 h LEU 19 Cb 0.33 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2kl8 h LEU 19 CO 0.05 -0.17 0.18 0.50 -0.34 0.00 0.00 178.44 178.66 2kl8 h LYS 20 N -0.50 0.43 -0.34 1.25 1.63 -1.40 0.89 116.57 118.54 2kl8 h LYS 20 Ca -0.04 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.66 2kl8 h LYS 20 Cb 0.38 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2kl8 h LYS 20 CO 0.07 0.31 -0.04 1.49 -3.45 0.00 0.00 179.45 177.83 2kl8 h GLU 21 N 0.44 0.62 -0.39 1.90 4.57 -1.50 0.11 114.58 120.33 2kl8 h GLU 21 Ca 0.11 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 2kl8 h GLU 21 Cb 0.00 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2kl8 h GLU 21 CO -0.02 0.76 0.10 0.52 -1.18 0.00 0.00 179.01 179.19 2kl8 h MET 22 N 0.41 0.62 -0.91 1.92 2.86 -0.03 -2.70 114.93 117.10 2kl8 h MET 22 Ca 0.09 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2kl8 h MET 22 Cb 0.51 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 2kl8 h MET 22 CO 0.02 0.65 0.53 0.82 1.06 0.00 0.00 176.91 179.99 2kl8 h ILE 23 N 0.49 1.25 -0.35 -1.22 2.04 -0.85 -1.83 117.51 117.04 2kl8 h ILE 23 Ca 0.12 -0.59 0.07 0.00 1.00 0.00 0.00 64.86 65.47 2kl8 h ILE 23 Cb 0.30 -0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.29 2kl8 h ILE 23 CO 0.00 0.28 -0.29 -0.09 0.00 0.00 0.00 178.15 178.05 2kl8 h ARG 24 N 1.26 -0.24 -0.69 2.37 2.43 -0.66 0.22 114.38 119.06 2kl8 h ARG 24 Ca 0.32 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 2kl8 h ARG 24 Cb -0.02 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2kl8 h ARG 24 CO -0.06 -0.16 0.41 1.96 -1.51 0.00 0.00 179.97 180.61 2kl8 h GLN 25 N -0.25 0.95 -0.03 0.20 7.50 -1.29 -2.16 115.11 120.03 2kl8 h GLN 25 Ca 0.16 -0.09 0.01 0.00 0.50 0.00 0.00 58.65 59.23 2kl8 h GLN 25 Cb 0.51 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 27.84 2kl8 h GLN 25 CO -0.49 0.68 0.04 0.00 -1.50 0.00 0.00 178.83 177.56 2kl8 h ALA 26 N 1.21 1.58 0.00 3.87 0.00 -0.31 0.09 119.26 125.70 2kl8 h ALA 26 Ca 0.25 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 2kl8 h ALA 26 Cb -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2kl8 h ALA 26 CO -0.05 -0.06 -0.90 0.00 0.00 0.00 0.00 179.25 178.25 2kl8 h ARG 27 N 0.00 0.00 -0.03 0.00 2.47 0.02 -3.26 114.38 113.58 2kl8 h ARG 27 Ca 0.02 -0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.52 2kl8 h ARG 27 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2kl8 h ARG 27 CO -0.00 0.90 -0.88 0.87 0.56 0.00 0.00 179.97 181.41 2kl8 h LYS 28 N 0.00 0.43 0.00 0.04 1.57 -0.78 -3.46 116.57 114.37 2kl8 h LYS 28 Ca -0.01 -0.43 -0.16 0.00 -1.87 0.00 0.00 60.65 58.18 2kl8 h LYS 28 Cb 1.59 0.11 0.03 0.00 0.08 0.00 0.00 32.23 34.05 2kl8 h LYS 28 CO 0.12 1.08 0.06 1.19 -0.57 0.00 0.00 179.45 181.33 2kl8 n PHE 29 N -3.78 -3.35 -0.11 -1.35 3.72 -0.30 -5.01 117.46 107.28 2kl8 n PHE 29 Ca -0.06 -0.58 0.10 0.00 -0.05 0.00 0.00 57.45 56.86 2kl8 n PHE 29 Cb 0.80 -0.27 0.29 0.00 -0.94 0.00 0.00 39.48 39.36 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 -3.02 2.49 -1.93 4.37 0.00 -1.26 -4.88 120.51 116.29 2kl8 n ALA 30 Ca -0.06 -1.18 -0.26 0.00 0.00 0.00 0.00 53.44 51.94 2kl8 n ALA 30 Cb 0.20 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.98 1.67 -0.02 0.00 0.00 -1.24 -4.92 107.32 101.83 2kl8 s GLY 31 Ca 0.44 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 44.28 2kl8 s GLY 31 CO 0.28 -0.46 -0.06 -1.59 0.00 0.00 0.00 173.10 171.27 2kl8 s THR 32 N -3.33 0.58 -0.20 0.90 2.01 -0.31 -4.65 115.64 110.65 2kl8 s THR 32 Ca 0.61 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 62.32 2kl8 s THR 32 Cb -0.10 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2kl8 s THR 32 CO 0.46 0.19 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.86 2kl8 s VAL 33 N 0.22 3.72 0.26 3.82 1.01 -1.26 -1.51 120.40 126.65 2kl8 s VAL 33 Ca -0.03 -0.39 0.11 0.00 0.00 0.00 0.00 61.98 61.67 2kl8 s VAL 33 Cb -0.07 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 2kl8 s VAL 33 CO -0.00 0.44 -0.13 0.28 0.00 0.00 0.00 175.10 175.69 2kl8 s THR 34 N 1.07 2.86 -0.14 3.92 -1.32 -0.09 -5.00 115.64 116.93 2kl8 s THR 34 Ca 0.02 -2.14 -0.21 0.00 -1.21 0.00 0.00 61.69 58.15 2kl8 s THR 34 Cb -0.14 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.40 2kl8 s THR 34 CO 0.01 -0.34 0.53 -0.72 -2.21 0.00 0.00 174.62 171.89 2kl8 s TYR 35 N -2.29 -0.53 -0.07 9.09 1.13 -1.26 -0.22 117.35 123.19 2kl8 s TYR 35 Ca 0.29 1.18 0.03 0.00 -1.41 0.00 0.00 57.07 57.15 2kl8 s TYR 35 Cb -0.06 0.23 0.01 0.00 -1.10 0.00 0.00 41.96 41.03 2kl8 s TYR 35 CO 0.16 -0.37 -0.15 -0.08 -2.51 0.00 0.00 175.55 172.60 2kl8 s THR 36 N -0.30 1.36 -0.04 -3.49 -1.32 -0.09 -4.98 115.64 106.78 2kl8 s THR 36 Ca -0.05 -0.61 -0.20 0.00 -1.21 0.00 0.00 61.69 59.63 2kl8 s THR 36 Cb -0.03 -1.22 -0.05 0.00 -1.51 0.00 0.00 72.50 69.69 2kl8 s THR 36 CO 0.03 0.40 0.56 -0.76 -2.21 0.00 0.00 174.62 172.65 2kl8 s LEU 37 N 0.59 4.38 -0.43 9.08 2.01 -1.26 -1.73 118.68 131.31 2kl8 s LEU 37 Ca -0.16 1.06 0.04 0.00 0.01 0.00 0.00 54.13 55.09 2kl8 s LEU 37 Cb -0.16 -2.86 0.17 0.00 0.01 0.00 0.00 46.19 43.35 2kl8 s LEU 37 CO 0.05 0.07 0.34 -0.62 1.01 0.00 0.00 176.35 177.20 2kl8 s ASP 38 N 0.04 1.83 0.00 2.29 2.15 0.69 -5.00 116.67 118.66 2kl8 s ASP 38 Ca 0.30 -3.05 0.00 0.00 0.43 0.00 0.00 52.55 50.23 2kl8 s ASP 38 Cb -0.17 -0.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.92 2kl8 s ASP 38 CO 0.15 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 2kl8 n GLY 39 N 2.89 0.39 0.20 2.66 0.00 -1.26 -0.90 105.19 109.17 2kl8 n GLY 39 Ca 0.27 0.70 0.02 0.00 0.00 0.00 0.00 46.02 47.01 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 2.42 2.24 -4.39 1.61 0.23 -1.26 -4.99 115.26 111.11 2kl8 n ASN 40 Ca 0.00 -1.95 -0.33 0.00 -0.53 0.00 0.00 54.58 51.77 2kl8 n ASN 40 Cb 0.00 -0.07 -0.14 0.00 -2.08 0.00 0.00 39.78 37.49 2kl8 n ASN 40 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2kl8 s ASP 41 N -0.96 4.23 -0.45 0.53 1.11 -0.08 -1.51 116.67 119.54 2kl8 s ASP 41 Ca 0.07 -0.29 0.02 0.00 0.18 0.00 0.00 52.55 52.53 2kl8 s ASP 41 Cb 0.04 -1.67 0.12 0.00 1.07 0.00 0.00 42.92 42.48 2kl8 s ASP 41 CO 0.05 0.14 0.20 -0.22 1.18 0.00 0.00 175.17 176.53 2kl8 s LEU 42 N 0.49 4.81 -0.40 1.23 2.96 0.46 -0.23 118.68 128.00 2kl8 s LEU 42 Ca -0.07 -2.49 -0.19 0.00 -0.22 0.00 0.00 54.13 51.15 2kl8 s LEU 42 Cb -0.15 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2kl8 s LEU 42 CO 0.04 -0.37 0.55 -1.61 -1.32 0.00 0.00 176.35 173.64 2kl8 s GLU 43 N 0.45 3.39 -0.32 1.98 2.02 -0.71 -0.22 118.70 125.29 2kl8 s GLU 43 Ca 0.13 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 54.71 2kl8 s GLU 43 Cb -0.22 -3.89 0.03 0.00 0.10 0.00 0.00 34.13 30.15 2kl8 s GLU 43 CO -0.04 -0.82 0.09 0.42 0.02 0.00 0.00 175.26 174.93 2kl8 s ILE 44 N 2.51 3.81 -0.21 -1.63 1.01 0.26 -0.91 121.20 126.04 2kl8 s ILE 44 Ca 0.19 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 2kl8 s ILE 44 Cb -0.15 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 2kl8 s ILE 44 CO 0.15 -0.08 0.11 -0.60 0.00 0.00 0.00 174.94 174.52 2kl8 s ARG 45 N 1.43 4.04 -0.14 2.79 3.52 0.70 -0.74 118.95 130.55 2kl8 s ARG 45 Ca -0.00 -0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.28 2kl8 s ARG 45 Cb -0.19 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 2kl8 s ARG 45 CO 0.02 0.20 -0.08 0.42 -0.81 0.00 0.00 175.30 175.06 2kl8 s ILE 46 N 0.61 3.52 -0.00 4.11 1.01 -0.39 -0.91 121.20 129.14 2kl8 s ILE 46 Ca 0.06 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.29 2kl8 s ILE 46 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2kl8 s ILE 46 CO 0.01 0.51 -0.25 -0.89 0.00 0.00 0.00 174.94 174.33 2kl8 s THR 47 N 0.26 1.96 0.00 2.92 2.01 -0.57 -1.75 115.64 120.47 2kl8 s THR 47 Ca -0.06 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 60.83 2kl8 s THR 47 Cb -0.15 -1.64 0.00 0.00 0.01 0.00 0.00 72.50 70.73 2kl8 s THR 47 CO 0.04 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 2kl8 n GLY 48 N 2.32 0.66 3.19 4.40 0.00 -1.22 -1.16 105.19 113.38 2kl8 n GLY 48 Ca -0.16 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.42 1.51 0.76 1.61 -7.23 -0.77 -3.64 120.40 110.22 2kl8 s VAL 49 Ca 0.00 -0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 59.26 2kl8 s VAL 49 Cb 0.00 -1.26 0.06 0.00 0.56 0.00 0.00 36.38 35.74 2kl8 s VAL 49 CO 0.00 0.43 1.12 -2.16 -0.31 0.00 0.00 175.10 174.18 2kl8 s PRO 50 N -0.37 2.20 0.15 4.82 0.04 -1.26 -0.57 135.00 140.01 2kl8 s PRO 50 Ca 0.06 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.01 2kl8 s PRO 50 Cb -0.08 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.49 2kl8 s PRO 50 CO -0.00 -1.39 1.72 1.05 0.04 0.00 0.00 177.00 178.42 2kl8 h GLU 51 N -0.86 0.14 -0.77 4.56 4.11 -2.00 -1.35 114.58 118.42 2kl8 h GLU 51 Ca -0.45 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 58.98 2kl8 h GLU 51 Cb 1.31 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 2kl8 h GLU 51 CO 0.64 0.09 0.50 -0.56 0.07 0.00 0.00 179.01 179.76 2kl8 h GLN 52 N 0.15 0.99 0.01 1.06 3.07 -2.02 -2.73 115.11 115.63 2kl8 h GLN 52 Ca 0.16 -0.06 -0.19 0.00 0.09 0.00 0.00 58.65 58.65 2kl8 h GLN 52 Cb 0.19 -0.22 -0.02 0.00 0.08 0.00 0.00 27.48 27.51 2kl8 h GLN 52 CO -0.23 0.66 -0.88 0.28 0.09 0.00 0.00 178.83 178.75 2kl8 h VAL 53 N 1.02 1.58 -0.53 1.86 2.07 -1.90 -3.24 116.25 117.11 2kl8 h VAL 53 Ca 0.29 -2.86 0.06 0.00 0.82 0.00 0.00 66.70 65.01 2kl8 h VAL 53 Cb -0.09 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 2kl8 h VAL 53 CO -0.07 0.82 0.23 -0.09 0.02 0.00 0.00 177.57 178.48 2kl8 h ARG 54 N 0.03 0.42 -0.73 1.57 1.12 -0.94 0.14 114.38 115.99 2kl8 h ARG 54 Ca -0.02 -0.03 0.06 0.00 -1.11 0.00 0.00 59.98 58.88 2kl8 h ARG 54 Cb 1.53 -0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 31.34 2kl8 h ARG 54 CO 0.12 0.28 0.43 0.87 -3.11 0.00 0.00 179.97 178.56 2kl8 h LYS 55 N 0.43 0.77 -0.71 0.20 1.57 -1.56 -0.56 116.57 116.71 2kl8 h LYS 55 Ca 0.25 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2kl8 h LYS 55 Cb 0.23 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2kl8 h LYS 55 CO -0.22 0.51 0.22 0.93 -0.57 0.00 0.00 179.45 180.32 2kl8 h GLU 56 N 0.79 1.11 -0.63 3.15 5.08 -1.34 0.15 114.58 122.89 2kl8 h GLU 56 Ca 0.32 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2kl8 h GLU 56 Cb 0.16 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2kl8 h GLU 56 CO -0.17 0.95 0.20 -0.07 -1.00 0.00 0.00 179.01 178.93 2kl8 h LEU 57 N 1.05 0.91 -0.30 1.33 3.38 -0.53 -1.64 115.31 119.51 2kl8 h LEU 57 Ca 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2kl8 h LEU 57 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kl8 h LEU 57 CO -0.01 0.87 0.13 0.00 0.09 0.00 0.00 178.44 179.52 2kl8 h ALA 58 N 1.08 0.39 -0.91 1.53 0.00 -0.82 0.04 119.26 120.57 2kl8 h ALA 58 Ca 0.20 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2kl8 h ALA 58 Cb 0.28 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2kl8 h ALA 58 CO -0.01 -0.02 0.58 -0.22 0.00 0.00 0.00 179.25 179.59 2kl8 h LYS 59 N 0.35 0.85 0.11 0.00 3.64 -0.79 -1.57 116.57 119.16 2kl8 h LYS 59 Ca 0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2kl8 h LYS 59 Cb 0.16 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2kl8 h LYS 59 CO -0.01 0.56 -0.05 1.49 -2.27 0.00 0.00 179.45 179.17 2kl8 h GLU 60 N 0.88 -0.14 -0.29 1.90 4.57 -1.03 -3.27 114.58 117.19 2kl8 h GLU 60 Ca 0.43 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.68 2kl8 h GLU 60 Cb 0.45 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 2kl8 h GLU 60 CO -0.19 0.31 -0.16 0.00 -1.18 0.00 0.00 179.01 177.79 2kl8 h ALA 61 N 0.11 0.06 -0.79 2.92 0.00 -0.42 0.73 119.26 121.88 2kl8 h ALA 61 Ca -0.01 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2kl8 h ALA 61 Cb 0.52 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2kl8 h ALA 61 CO 0.02 -0.55 0.52 0.93 0.00 0.00 0.00 179.25 180.17 2kl8 h GLU 62 N -0.12 0.82 -0.22 0.00 5.08 -1.45 -1.32 114.58 117.37 2kl8 h GLU 62 Ca 0.15 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.27 2kl8 h GLU 62 Cb 0.35 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kl8 h GLU 62 CO -0.37 0.55 -0.64 -0.09 -1.00 0.00 0.00 179.01 177.46 2kl8 h ARG 63 N 0.85 0.80 -0.54 2.33 1.12 -1.34 -2.74 114.38 114.85 2kl8 h ARG 63 Ca 0.34 -0.56 0.05 0.00 -1.11 0.00 0.00 59.98 58.70 2kl8 h ARG 63 Cb 0.24 0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.24 2kl8 h ARG 63 CO -0.12 1.18 0.27 -0.07 -3.11 0.00 0.00 179.97 178.12 2kl8 h LEU 64 N 0.59 0.38 0.06 3.80 3.38 0.21 -0.16 115.31 123.56 2kl8 h LEU 64 Ca -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kl8 h LEU 64 Cb 1.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kl8 h LEU 64 CO 0.13 0.26 -0.03 0.00 0.09 0.00 0.00 178.44 178.89 2kl8 h ALA 65 N 1.30 -0.08 -0.74 1.53 0.00 -1.43 -3.15 119.26 116.69 2kl8 h ALA 65 Ca 0.24 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.17 2kl8 h ALA 65 Cb 0.16 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 2kl8 h ALA 65 CO -0.17 -0.44 0.31 0.87 0.00 0.00 0.00 179.25 179.82 2kl8 h LYS 66 N -0.29 0.46 0.00 0.00 1.79 -1.16 0.22 116.57 117.59 2kl8 h LYS 66 Ca -0.01 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2kl8 h LYS 66 Cb 0.25 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2kl8 h LYS 66 CO 0.01 0.30 -0.05 1.49 -1.08 0.00 0.00 179.45 180.13 2kl8 h GLU 67 N 0.47 0.00 -0.19 3.15 4.81 -0.99 -1.25 114.58 120.58 2kl8 h GLU 67 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2kl8 h GLU 67 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2kl8 h GLU 67 CO -0.37 0.05 0.00 1.19 -0.73 0.00 0.00 179.01 179.14 2kl8 n PHE 68 N -3.67 0.28 -1.33 0.92 3.72 -0.58 -4.99 117.46 111.81 2kl8 n PHE 68 Ca -0.02 -0.53 -0.11 0.00 -0.05 0.00 0.00 57.45 56.73 2kl8 n PHE 68 Cb 0.15 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.01 -5.44 -4.95 4.37 4.13 0.62 -4.88 115.26 109.10 2kl8 n ASN 69 Ca 0.07 0.28 -0.23 0.00 1.68 0.00 0.00 54.58 56.39 2kl8 n ASN 69 Cb 0.38 -3.95 0.02 0.00 -1.54 0.00 0.00 39.78 34.69 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 -2.07 3.66 0.22 2.41 -4.36 -0.33 -4.95 121.20 115.78 2kl8 s ILE 70 Ca 0.00 -0.46 -0.12 0.00 -0.26 0.00 0.00 60.65 59.80 2kl8 s ILE 70 Cb 0.00 -3.37 -0.07 0.00 1.25 0.00 0.00 42.46 40.26 2kl8 s ILE 70 CO 0.00 -0.28 0.59 -0.89 0.24 0.00 0.00 174.94 174.60 2kl8 s THR 71 N -2.66 4.85 -0.13 8.37 2.01 -0.05 -4.32 115.64 123.71 2kl8 s THR 71 Ca 0.51 0.69 -0.09 0.00 0.31 0.00 0.00 61.69 63.10 2kl8 s THR 71 Cb -0.10 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.80 2kl8 s THR 71 CO 0.39 0.01 0.33 0.54 -0.69 0.00 0.00 174.62 175.20 2kl8 s VAL 72 N -1.74 -0.02 0.11 3.82 0.11 -1.26 0.18 120.40 121.60 2kl8 s VAL 72 Ca 0.46 0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 2kl8 s VAL 72 Cb -0.12 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2kl8 s VAL 72 CO 0.20 0.03 -0.11 0.42 -3.33 0.00 0.00 175.10 172.30 2kl8 s THR 73 N 0.82 1.10 -0.10 5.04 -4.23 -0.80 -5.00 115.64 112.47 2kl8 s THR 73 Ca -0.05 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 2kl8 s THR 73 Cb -0.06 -1.48 0.05 0.00 1.34 0.00 0.00 72.50 72.34 2kl8 s THR 73 CO -0.06 -0.54 0.23 -0.72 -0.54 0.00 0.00 174.62 173.00 2kl8 s TYR 74 N -2.46 -0.31 -0.15 3.99 -0.85 -1.26 -0.63 117.35 115.68 2kl8 s TYR 74 Ca 0.08 0.76 -0.08 0.00 -0.52 0.00 0.00 57.07 57.31 2kl8 s TYR 74 Cb -0.03 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 2kl8 s TYR 74 CO 0.01 -0.24 0.13 0.99 -1.52 0.00 0.00 175.55 174.92 2kl8 s THR 75 N 1.38 5.38 -0.14 -3.49 2.01 0.98 -4.95 115.64 116.81 2kl8 s THR 75 Ca -0.08 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.02 2kl8 s THR 75 Cb -0.11 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2kl8 s THR 75 CO -0.08 0.55 0.09 -0.63 -0.69 0.00 0.00 174.62 173.86 2kl8 s ILE 76 N -0.49 5.09 -0.01 1.82 -1.09 -1.26 -0.66 121.20 124.60 2kl8 s ILE 76 Ca 0.12 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2kl8 s ILE 76 Cb -0.12 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2kl8 s ILE 76 CO 0.02 0.54 0.01 0.00 -1.23 0.00 0.00 174.94 174.28 2kl8 s ARG 77 N -0.40 0.02 0.35 2.79 1.70 -1.13 -5.01 118.95 117.28 2kl8 s ARG 77 Ca 0.10 0.09 0.07 0.00 -0.47 0.00 0.00 55.73 55.53 2kl8 s ARG 77 Cb -0.12 -0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.07 2kl8 s ARG 77 CO 0.02 -0.09 0.37 -0.48 -1.08 0.00 0.00 175.30 174.03 2kl8 s LEU 78 N 0.61 3.66 -0.08 -1.89 2.34 -1.26 -1.63 118.68 120.43 2kl8 s LEU 78 Ca -0.05 -0.45 -0.29 0.00 0.06 0.00 0.00 54.13 53.39 2kl8 s LEU 78 Cb -0.08 -2.35 -0.06 0.00 -0.56 0.00 0.00 46.19 43.15 2kl8 s LEU 78 CO -0.02 -0.44 1.75 -0.70 -1.06 0.00 0.00 176.35 175.88 2kl8 s GLU 79 N -4.08 4.02 -0.90 1.48 -6.30 -1.26 -4.89 118.70 106.77 2kl8 s GLU 79 Ca 0.44 2.15 -0.24 0.00 -2.50 0.00 0.00 54.97 54.81 2kl8 s GLU 79 Cb -0.07 -4.06 -0.03 0.00 0.00 0.00 0.00 34.13 29.98 2kl8 s GLU 79 CO 0.28 -1.05 1.86 -3.38 0.02 0.00 0.00 175.26 172.99 2kl8 s HIS 80 N 4.66 1.91 -0.23 5.30 0.00 -1.26 -4.94 115.29 120.74 2kl8 s HIS 80 Ca 0.78 0.41 -0.02 0.00 -3.00 0.00 0.00 55.06 53.23 2kl8 s HIS 80 Cb -0.33 -4.16 0.01 0.00 -4.00 0.00 0.00 32.58 24.10 2kl8 s HIS 80 CO 0.32 -1.82 -0.08 -1.58 -1.00 0.00 0.00 174.74 170.58 2kl8 s HIS 81 N 9.17 2.98 0.00 0.38 2.46 -1.26 -4.96 115.29 124.06 2kl8 s HIS 81 Ca 0.66 -1.37 0.00 0.00 0.47 0.00 0.00 55.06 54.82 2kl8 s HIS 81 Cb -0.06 -2.05 0.00 0.00 -0.13 0.00 0.00 32.58 30.34 2kl8 s HIS 81 CO -0.00 -0.68 0.00 0.72 -2.47 0.00 0.00 174.74 172.30 2kl8 n HIS 82 N 4.70 0.00 -2.90 3.88 8.25 -1.26 -4.93 115.22 122.96 2kl8 n HIS 82 Ca -0.18 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.27 2kl8 n HIS 82 Cb 0.49 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 2kl8 n HIS 82 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kl8 n HIS 83 N 0.00 -2.07 -4.07 4.41 -0.00 -1.26 -5.05 115.22 107.18 2kl8 n HIS 83 Ca 0.00 1.10 -0.13 0.00 -0.00 0.00 0.00 57.72 58.69 2kl8 n HIS 83 Cb 0.00 -2.43 -0.11 0.00 -0.00 0.00 0.00 29.99 27.45 2kl8 n HIS 83 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kl8 s HIS 84 N -0.72 0.67 -2.18 1.57 3.76 -1.26 -5.23 115.29 111.89 2kl8 s HIS 84 Ca -0.08 -0.52 0.31 0.00 -0.15 0.00 0.00 55.06 54.61 2kl8 s HIS 84 Cb 0.01 -0.40 1.60 0.00 1.11 0.00 0.00 32.58 34.89 2kl8 s HIS 84 CO 0.38 -0.09 2.05 1.58 -0.85 0.00 0.00 174.74 177.82