#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 1.18 -0.21 2.12 2.02 -1.25 -1.45 118.70 121.11 2kl8 s GLU 2 Ca 0.00 -1.30 -0.04 0.00 0.02 0.00 0.00 54.97 53.65 2kl8 s GLU 2 Cb 0.00 -1.27 0.10 0.00 0.10 0.00 0.00 34.13 33.06 2kl8 s GLU 2 CO 0.00 0.27 0.30 0.00 0.02 0.00 0.00 175.26 175.85 2kl8 s MET 3 N -2.50 0.25 -0.28 1.61 0.23 -0.52 -3.20 119.30 114.90 2kl8 s MET 3 Ca 0.12 0.47 -0.12 0.00 -1.03 0.00 0.00 55.69 55.13 2kl8 s MET 3 Cb -0.07 -0.65 -0.05 0.00 -1.53 0.00 0.00 34.83 32.54 2kl8 s MET 3 CO 0.05 -0.57 0.23 0.16 -2.03 0.00 0.00 175.02 172.86 2kl8 s ASP 4 N 2.45 6.07 -0.27 -1.18 1.47 -0.41 -1.17 116.67 123.61 2kl8 s ASP 4 Ca 0.08 0.03 -0.04 0.00 1.18 0.00 0.00 52.55 53.80 2kl8 s ASP 4 Cb -0.15 -2.14 0.02 0.00 -0.34 0.00 0.00 42.92 40.31 2kl8 s ASP 4 CO -0.13 -0.09 0.01 -0.63 0.68 0.00 0.00 175.17 175.02 2kl8 s ILE 5 N 1.82 3.45 -0.37 2.11 1.01 0.49 -0.68 121.20 129.03 2kl8 s ILE 5 Ca 0.09 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 2kl8 s ILE 5 Cb -0.16 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.54 2kl8 s ILE 5 CO 0.11 0.13 0.25 -0.60 0.00 0.00 0.00 174.94 174.82 2kl8 s ARG 6 N 1.41 3.17 0.33 2.79 3.00 0.58 -0.48 118.95 129.76 2kl8 s ARG 6 Ca 0.01 -0.87 -0.05 0.00 -1.00 0.00 0.00 55.73 53.83 2kl8 s ARG 6 Cb -0.17 -3.84 -0.05 0.00 0.00 0.00 0.00 34.95 30.89 2kl8 s ARG 6 CO -0.01 -0.60 0.61 -0.06 0.00 0.00 0.00 175.30 175.24 2kl8 s PHE 7 N 1.67 3.49 -0.04 5.12 0.08 0.36 -0.71 117.98 127.95 2kl8 s PHE 7 Ca 0.05 0.67 -0.02 0.00 0.12 0.00 0.00 56.93 57.75 2kl8 s PHE 7 Cb -0.18 -2.14 0.03 0.00 -0.57 0.00 0.00 43.02 40.16 2kl8 s PHE 7 CO 0.09 0.08 0.05 0.50 -0.10 0.00 0.00 175.22 175.84 2kl8 s ARG 8 N -3.83 -0.06 -0.04 0.44 3.52 0.78 -0.73 118.95 119.03 2kl8 s ARG 8 Ca 0.45 0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 56.09 2kl8 s ARG 8 Cb -0.10 -0.48 0.11 0.00 -1.56 0.00 0.00 34.95 32.92 2kl8 s ARG 8 CO 0.33 -0.30 1.08 0.20 -0.81 0.00 0.00 175.30 175.79 2kl8 s GLY 9 N 2.00 -0.36 -0.04 8.12 0.00 -0.62 -1.24 107.32 115.18 2kl8 s GLY 9 Ca 0.03 0.97 -0.01 0.00 0.00 0.00 0.00 44.72 45.71 2kl8 s GLY 9 CO -0.03 0.29 0.67 -0.55 0.00 0.00 0.00 173.10 173.49 2kl8 h ASP 10 N 2.00 0.31 -2.41 1.64 5.19 -1.94 -3.42 116.42 117.79 2kl8 h ASP 10 Ca -0.20 -0.55 -0.54 0.00 -0.62 0.00 0.00 57.03 55.13 2kl8 h ASP 10 Cb 1.21 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.63 2kl8 h ASP 10 CO 0.27 1.47 1.21 -1.81 -3.12 0.00 0.00 179.24 177.26 2kl8 s ASP 11 N -6.80 6.47 0.23 6.45 1.01 -1.26 -4.89 116.67 117.88 2kl8 s ASP 11 Ca -0.12 2.55 -0.07 0.00 0.71 0.00 0.00 52.55 55.63 2kl8 s ASP 11 Cb 0.07 -2.53 0.21 0.00 1.01 0.00 0.00 42.92 41.68 2kl8 s ASP 11 CO 0.82 -1.06 1.84 0.25 0.21 0.00 0.00 175.17 177.24 2kl8 h LEU 12 N 10.68 1.12 -2.00 1.23 5.85 -1.99 -1.97 115.31 128.22 2kl8 h LEU 12 Ca -0.47 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 2kl8 h LEU 12 Cb 1.22 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 2kl8 h LEU 12 CO 0.94 0.91 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.55 2kl8 h GLU 13 N 1.23 0.00 -0.98 1.25 3.07 -2.00 -2.27 114.58 114.88 2kl8 h GLU 13 Ca 0.30 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.20 2kl8 h GLU 13 Cb 0.07 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.92 2kl8 h GLU 13 CO -0.04 0.08 0.64 0.00 -1.40 0.00 0.00 179.01 178.28 2kl8 h ALA 14 N 1.92 1.35 0.24 3.43 0.00 -1.74 -0.84 119.26 123.64 2kl8 h ALA 14 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kl8 h ALA 14 Cb 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2kl8 h ALA 14 CO 0.01 0.56 -0.12 0.74 0.00 0.00 0.00 179.25 180.44 2kl8 h PHE 15 N 1.25 -0.30 -0.64 0.00 0.04 -1.46 -1.83 116.94 114.00 2kl8 h PHE 15 Ca 0.38 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.12 2kl8 h PHE 15 Cb -0.03 0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 2kl8 h PHE 15 CO -0.00 0.05 0.31 1.05 -0.60 0.00 0.00 178.31 179.12 2kl8 h GLU 16 N -0.72 0.92 -0.50 1.51 4.11 -1.50 -0.82 114.58 117.58 2kl8 h GLU 16 Ca -0.03 -0.14 -0.06 0.00 0.07 0.00 0.00 59.36 59.20 2kl8 h GLU 16 Cb 0.49 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2kl8 h GLU 16 CO 0.05 0.74 0.07 0.87 0.07 0.00 0.00 179.01 180.81 2kl8 h LYS 17 N 0.88 0.83 -0.21 1.06 1.79 -1.23 -0.02 116.57 119.67 2kl8 h LYS 17 Ca 0.22 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2kl8 h LYS 17 Cb 0.12 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2kl8 h LYS 17 CO -0.03 0.83 0.11 0.00 -1.08 0.00 0.00 179.45 179.28 2kl8 h ALA 18 N 0.97 0.27 -0.53 3.86 0.00 -1.10 -1.39 119.26 121.35 2kl8 h ALA 18 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kl8 h ALA 18 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kl8 h ALA 18 CO 0.01 -0.17 0.26 1.25 0.00 0.00 0.00 179.25 180.61 2kl8 h LEU 19 N 0.22 0.68 -0.16 0.00 5.85 -1.09 -2.56 115.31 118.25 2kl8 h LEU 19 Ca 0.07 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kl8 h LEU 19 Cb 0.11 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2kl8 h LEU 19 CO -0.01 0.60 0.10 0.50 -0.34 0.00 0.00 178.44 179.29 2kl8 h LYS 20 N 0.70 0.22 0.19 1.25 1.63 -0.84 -1.67 116.57 118.06 2kl8 h LYS 20 Ca 0.18 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2kl8 h LYS 20 Cb 0.10 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 2kl8 h LYS 20 CO -0.02 0.19 -0.18 0.93 -3.45 0.00 0.00 179.45 176.92 2kl8 h GLU 21 N 0.18 -0.38 -0.16 1.90 4.39 -1.21 -0.79 114.58 118.50 2kl8 h GLU 21 Ca 0.06 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.79 2kl8 h GLU 21 Cb 0.03 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2kl8 h GLU 21 CO -0.01 -0.25 0.09 0.52 -1.16 0.00 0.00 179.01 178.19 2kl8 h MET 22 N -0.40 0.18 -0.52 2.33 2.86 -1.38 -2.92 114.93 115.09 2kl8 h MET 22 Ca -0.00 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2kl8 h MET 22 Cb 0.37 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2kl8 h MET 22 CO -0.04 0.12 0.12 0.82 1.06 0.00 0.00 176.91 179.00 2kl8 h ILE 23 N 0.19 1.24 -0.57 -1.22 2.04 -1.28 -1.22 117.51 116.69 2kl8 h ILE 23 Ca 0.06 -0.87 0.11 0.00 1.00 0.00 0.00 64.86 65.17 2kl8 h ILE 23 Cb -0.00 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 2kl8 h ILE 23 CO -0.03 0.31 0.08 -0.09 0.00 0.00 0.00 178.15 178.42 2kl8 h ARG 24 N 0.72 0.20 -0.14 2.37 2.43 -0.95 0.16 114.38 119.17 2kl8 h ARG 24 Ca 0.16 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 2kl8 h ARG 24 Cb 0.34 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2kl8 h ARG 24 CO 0.00 0.13 -0.37 1.96 -1.51 0.00 0.00 179.97 180.18 2kl8 h GLN 25 N 0.20 0.49 -0.18 0.20 7.50 -1.50 -3.31 115.11 118.51 2kl8 h GLN 25 Ca 0.29 -0.35 0.01 0.00 0.50 0.00 0.00 58.65 59.11 2kl8 h GLN 25 Cb 0.44 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.02 2kl8 h GLN 25 CO -0.41 0.96 0.12 0.00 -1.50 0.00 0.00 178.83 178.00 2kl8 h ALA 26 N 0.53 1.93 -0.10 3.87 0.00 -0.13 -2.10 119.26 123.27 2kl8 h ALA 26 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kl8 h ALA 26 Cb 0.98 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kl8 h ALA 26 CO 0.08 0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.46 2kl8 h ARG 27 N 0.20 0.00 0.00 0.00 3.08 -0.82 0.60 114.38 117.43 2kl8 h ARG 27 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2kl8 h ARG 27 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2kl8 h ARG 27 CO -0.01 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.52 2kl8 n LYS 28 N -4.28 0.15 -3.95 0.04 4.01 -0.79 -4.54 118.16 108.80 2kl8 n LYS 28 Ca -0.01 0.37 -0.35 0.00 -0.51 0.00 0.00 58.31 57.82 2kl8 n LYS 28 Cb 0.19 -1.78 -0.14 0.00 -0.51 0.00 0.00 35.03 32.78 2kl8 n LYS 28 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2kl8 s PHE 29 N -3.24 2.99 -0.84 2.13 0.08 0.20 -5.04 117.98 114.27 2kl8 s PHE 29 Ca 0.05 -1.29 -0.22 0.00 0.12 0.00 0.00 56.93 55.59 2kl8 s PHE 29 Cb 0.10 -2.07 -0.19 0.00 -0.57 0.00 0.00 43.02 40.29 2kl8 s PHE 29 CO 0.37 -0.66 2.25 0.00 -0.10 0.00 0.00 175.22 177.09 2kl8 n ALA 30 N 4.73 0.46 -3.00 5.36 0.00 -1.26 -4.74 120.51 122.05 2kl8 n ALA 30 Ca -0.18 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 51.85 2kl8 n ALA 30 Cb 0.49 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.93 2kl8 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl8 n GLY 31 N 6.36 4.26 3.16 0.00 0.00 -1.26 -4.84 105.19 112.87 2kl8 n GLY 31 Ca 0.47 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 2kl8 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kl8 s THR 32 N -0.79 -0.01 -0.15 2.61 2.01 -0.19 -5.02 115.64 114.09 2kl8 s THR 32 Ca 0.00 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.06 2kl8 s THR 32 Cb 0.00 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2kl8 s THR 32 CO 0.00 0.02 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.09 2kl8 s VAL 33 N 0.62 2.49 0.18 3.82 1.01 -1.26 -1.07 120.40 126.18 2kl8 s VAL 33 Ca -0.04 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.22 2kl8 s VAL 33 Cb -0.05 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2kl8 s VAL 33 CO -0.04 0.52 -0.19 0.28 0.00 0.00 0.00 175.10 175.68 2kl8 s THR 34 N 0.87 2.67 -0.02 3.92 -1.32 -0.66 -4.98 115.64 116.12 2kl8 s THR 34 Ca -0.05 -1.84 -0.02 0.00 -1.21 0.00 0.00 61.69 58.57 2kl8 s THR 34 Cb -0.15 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 2kl8 s THR 34 CO -0.02 -0.08 0.06 -0.72 -2.21 0.00 0.00 174.62 171.66 2kl8 s TYR 35 N -1.59 -0.02 -0.16 9.09 1.13 -1.26 -0.05 117.35 124.50 2kl8 s TYR 35 Ca 0.21 0.07 0.01 0.00 -1.41 0.00 0.00 57.07 55.95 2kl8 s TYR 35 Cb -0.09 -0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 2kl8 s TYR 35 CO 0.11 -0.07 -0.20 0.99 -2.51 0.00 0.00 175.55 173.87 2kl8 s THR 36 N -0.25 2.19 -0.27 -3.49 2.01 0.62 -4.96 115.64 111.51 2kl8 s THR 36 Ca -0.03 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 2kl8 s THR 36 Cb -0.02 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 2kl8 s THR 36 CO 0.00 0.54 0.17 -0.76 -0.69 0.00 0.00 174.62 173.88 2kl8 s LEU 37 N 0.98 4.00 -0.45 4.42 2.01 -1.26 -0.81 118.68 127.58 2kl8 s LEU 37 Ca -0.03 0.01 0.03 0.00 0.01 0.00 0.00 54.13 54.15 2kl8 s LEU 37 Cb -0.15 -2.10 0.16 0.00 0.01 0.00 0.00 46.19 44.11 2kl8 s LEU 37 CO -0.05 -0.01 0.31 -0.62 1.01 0.00 0.00 176.35 176.99 2kl8 s ASP 38 N 1.53 2.76 0.18 2.29 2.15 -0.60 -5.02 116.67 119.97 2kl8 s ASP 38 Ca 0.07 -2.88 0.00 0.00 0.43 0.00 0.00 52.55 50.17 2kl8 s ASP 38 Cb -0.15 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.73 2kl8 s ASP 38 CO 0.09 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 2kl8 n GLY 39 N 3.15 0.19 0.03 2.66 0.00 -1.26 -0.94 105.19 109.02 2kl8 n GLY 39 Ca 0.20 0.69 0.11 0.00 0.00 0.00 0.00 46.02 47.02 2kl8 n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kl8 n ASN 40 N 3.86 0.57 -4.91 1.61 3.02 -1.26 -4.97 115.26 113.19 2kl8 n ASN 40 Ca 0.00 -0.28 -0.32 0.00 -0.03 0.00 0.00 54.58 53.96 2kl8 n ASN 40 Cb 0.00 1.03 -0.04 0.00 -0.61 0.00 0.00 39.78 40.16 2kl8 n ASN 40 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2kl8 s ASP 41 N -3.94 6.43 -0.28 6.41 1.11 -0.11 -1.59 116.67 124.69 2kl8 s ASP 41 Ca 0.02 0.44 -0.04 0.00 0.18 0.00 0.00 52.55 53.15 2kl8 s ASP 41 Cb 0.14 -2.03 0.10 0.00 1.07 0.00 0.00 42.92 42.20 2kl8 s ASP 41 CO 0.83 0.13 0.12 -0.22 1.18 0.00 0.00 175.17 177.21 2kl8 s LEU 42 N -2.49 0.77 -0.56 1.23 2.96 0.09 -1.56 118.68 119.12 2kl8 s LEU 42 Ca 0.37 -1.29 -0.22 0.00 -0.22 0.00 0.00 54.13 52.77 2kl8 s LEU 42 Cb -0.13 -0.42 0.06 0.00 0.50 0.00 0.00 46.19 46.20 2kl8 s LEU 42 CO 0.25 -0.43 0.82 -0.70 -1.32 0.00 0.00 176.35 174.98 2kl8 s GLU 43 N 2.03 3.21 -0.41 1.98 2.12 0.01 -0.49 118.70 127.15 2kl8 s GLU 43 Ca 0.09 -0.63 -0.14 0.00 0.36 0.00 0.00 54.97 54.65 2kl8 s GLU 43 Cb -0.16 -4.11 0.04 0.00 0.26 0.00 0.00 34.13 30.15 2kl8 s GLU 43 CO -0.33 -1.46 0.29 0.42 -0.54 0.00 0.00 175.26 173.64 2kl8 s ILE 44 N 3.45 4.99 -0.43 -3.70 1.01 0.37 -0.27 121.20 126.60 2kl8 s ILE 44 Ca 0.23 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 2kl8 s ILE 44 Cb -0.16 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.50 2kl8 s ILE 44 CO 0.14 -0.36 0.41 -0.13 0.00 0.00 0.00 174.94 175.01 2kl8 s ARG 45 N 1.62 3.05 -0.24 2.79 0.52 0.93 -0.38 118.95 127.23 2kl8 s ARG 45 Ca 0.04 -0.92 -0.16 0.00 -0.52 0.00 0.00 55.73 54.16 2kl8 s ARG 45 Cb -0.20 -4.01 -0.04 0.00 0.52 0.00 0.00 34.95 31.22 2kl8 s ARG 45 CO 0.08 -0.89 0.41 0.42 0.02 0.00 0.00 175.30 175.35 2kl8 s ILE 46 N 1.99 5.16 -0.12 1.52 1.01 -0.32 -1.66 121.20 128.78 2kl8 s ILE 46 Ca 0.09 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.46 2kl8 s ILE 46 Cb -0.19 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2kl8 s ILE 46 CO 0.12 0.18 -0.21 -0.89 0.00 0.00 0.00 174.94 174.13 2kl8 s THR 47 N 1.84 2.22 0.00 2.92 2.01 -0.23 -1.44 115.64 122.96 2kl8 s THR 47 Ca 0.18 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2kl8 s THR 47 Cb -0.15 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.48 2kl8 s THR 47 CO 0.09 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 2kl8 n GLY 48 N 3.75 0.81 3.09 4.40 0.00 -0.53 -1.03 105.19 115.68 2kl8 n GLY 48 Ca -0.19 -0.56 -0.17 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 -2.45 0.83 0.25 1.61 -7.23 -1.26 -4.05 120.40 108.10 2kl8 s VAL 49 Ca 0.00 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 2kl8 s VAL 49 Cb 0.00 -0.79 -0.09 0.00 0.56 0.00 0.00 36.38 36.06 2kl8 s VAL 49 CO 0.00 -0.12 1.20 -2.16 -0.31 0.00 0.00 175.10 173.72 2kl8 s PRO 50 N -1.17 4.50 0.36 4.82 0.04 -1.26 -4.71 135.00 137.59 2kl8 s PRO 50 Ca -0.02 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.04 2kl8 s PRO 50 Cb -0.08 -3.18 0.78 0.00 0.04 0.00 0.00 34.50 32.06 2kl8 s PRO 50 CO 0.01 -0.03 1.91 1.49 0.04 0.00 0.00 177.00 180.42 2kl8 h GLU 51 N 4.42 0.70 -0.15 4.56 4.81 -2.01 -0.41 114.58 126.51 2kl8 h GLU 51 Ca -0.46 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 2kl8 h GLU 51 Cb 1.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2kl8 h GLU 51 CO 0.71 0.46 0.10 -0.56 -0.73 0.00 0.00 179.01 178.99 2kl8 h GLN 52 N 0.72 0.07 0.02 1.92 3.07 -2.03 -2.42 115.11 116.47 2kl8 h GLN 52 Ca 0.39 -0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.80 2kl8 h GLN 52 Cb 0.51 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 28.00 2kl8 h GLN 52 CO -0.15 0.05 -1.93 0.28 0.09 0.00 0.00 178.83 177.16 2kl8 n VAL 53 N -4.51 1.59 -0.34 1.86 0.31 -0.31 -4.22 118.33 112.72 2kl8 n VAL 53 Ca 0.00 -0.77 0.21 0.00 -0.01 0.00 0.00 64.34 63.77 2kl8 n VAL 53 Cb 0.17 -1.07 0.43 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.01 0.46 -0.42 5.55 2.43 -0.66 0.51 114.38 122.27 2kl8 h ARG 54 Ca -0.38 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 58.84 2kl8 h ARG 54 Cb 2.06 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 31.43 2kl8 h ARG 54 CO 0.06 0.30 -0.02 0.87 -1.51 0.00 0.00 179.97 179.67 2kl8 h LYS 55 N 0.47 0.08 0.01 0.20 1.57 -1.70 -0.35 116.57 116.84 2kl8 h LYS 55 Ca 0.67 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.23 2kl8 h LYS 55 Cb 1.43 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 2kl8 h LYS 55 CO -0.49 0.05 -0.93 0.93 -0.57 0.00 0.00 179.45 178.43 2kl8 h GLU 56 N 0.08 0.34 -0.31 3.15 5.08 -1.20 -3.05 114.58 118.67 2kl8 h GLU 56 Ca 0.20 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2kl8 h GLU 56 Cb 0.30 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2kl8 h GLU 56 CO -0.36 1.07 0.14 -0.07 -1.00 0.00 0.00 179.01 178.78 2kl8 h LEU 57 N 0.19 0.38 -0.66 1.33 3.38 -0.73 0.12 115.31 119.32 2kl8 h LEU 57 Ca -0.07 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2kl8 h LEU 57 Cb 1.57 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2kl8 h LEU 57 CO 0.16 0.34 -0.06 0.00 0.09 0.00 0.00 178.44 178.96 2kl8 h ALA 58 N 1.72 0.87 0.00 1.53 0.00 -1.03 -2.95 119.26 119.40 2kl8 h ALA 58 Ca 0.11 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2kl8 h ALA 58 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2kl8 h ALA 58 CO -0.01 0.65 -0.52 -0.22 0.00 0.00 0.00 179.25 179.15 2kl8 h LYS 59 N 0.88 0.00 -0.92 0.00 3.64 -1.14 -2.79 116.57 116.25 2kl8 h LYS 59 Ca 0.15 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.65 2kl8 h LYS 59 Cb 0.60 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 2kl8 h LYS 59 CO 0.04 0.52 0.59 0.93 -2.27 0.00 0.00 179.45 179.26 2kl8 h GLU 60 N 0.00 0.81 -0.64 1.90 4.39 -0.64 0.44 114.58 120.84 2kl8 h GLU 60 Ca -0.01 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.68 2kl8 h GLU 60 Cb 0.95 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 2kl8 h GLU 60 CO 0.07 0.53 0.38 0.00 -1.16 0.00 0.00 179.01 178.83 2kl8 h ALA 61 N 1.57 0.83 -0.64 3.43 0.00 -1.46 0.31 119.26 123.30 2kl8 h ALA 61 Ca 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2kl8 h ALA 61 Cb 0.57 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2kl8 h ALA 61 CO -0.21 0.11 0.20 0.93 0.00 0.00 0.00 179.25 180.28 2kl8 h GLU 62 N 0.74 1.00 -0.46 0.00 5.08 -1.03 -1.21 114.58 118.70 2kl8 h GLU 62 Ca 0.26 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2kl8 h GLU 62 Cb 0.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2kl8 h GLU 62 CO -0.12 0.88 0.18 -0.09 -1.00 0.00 0.00 179.01 178.86 2kl8 h ARG 63 N 0.93 0.69 -0.59 2.33 2.43 -0.61 -2.00 114.38 117.57 2kl8 h ARG 63 Ca 0.21 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2kl8 h ARG 63 Cb 0.30 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2kl8 h ARG 63 CO -0.01 0.62 0.20 -0.07 -1.51 0.00 0.00 179.97 179.21 2kl8 h LEU 64 N 0.60 0.80 -0.17 3.80 3.38 -0.77 0.26 115.31 123.22 2kl8 h LEU 64 Ca 0.15 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2kl8 h LEU 64 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2kl8 h LEU 64 CO -0.01 0.74 0.03 0.00 0.09 0.00 0.00 178.44 179.29 2kl8 h ALA 65 N 1.37 0.17 0.00 1.53 0.00 -0.98 -2.65 119.26 118.69 2kl8 h ALA 65 Ca 0.20 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2kl8 h ALA 65 Cb 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kl8 h ALA 65 CO -0.01 -0.41 -0.29 0.87 0.00 0.00 0.00 179.25 179.41 2kl8 h LYS 66 N 0.10 0.00 0.19 0.00 1.57 -0.81 0.35 116.57 117.98 2kl8 h LYS 66 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kl8 h LYS 66 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2kl8 h LYS 66 CO -0.10 0.29 -0.17 1.49 -0.57 0.00 0.00 179.45 180.39 2kl8 h GLU 67 N 0.00 -0.37 -0.30 3.15 4.57 -0.13 -3.14 114.58 118.35 2kl8 h GLU 67 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2kl8 h GLU 67 Cb 0.72 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2kl8 h GLU 67 CO 0.04 -0.25 0.00 1.19 -1.18 0.00 0.00 179.01 178.81 2kl8 n PHE 68 N -5.30 0.82 -1.89 0.92 3.01 -1.16 -4.96 117.46 108.90 2kl8 n PHE 68 Ca -0.08 -0.75 -0.20 0.00 1.01 0.00 0.00 57.45 57.43 2kl8 n PHE 68 Cb 0.21 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 39.40 2kl8 n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2kl8 n ASN 69 N -0.12 -5.59 -4.58 4.37 3.02 0.75 -4.97 115.26 108.13 2kl8 n ASN 69 Ca 0.18 0.31 -0.24 0.00 -0.03 0.00 0.00 54.58 54.80 2kl8 n ASN 69 Cb 0.75 -4.78 0.13 0.00 -0.61 0.00 0.00 39.78 35.27 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 -2.86 2.04 0.06 2.41 -4.36 0.89 -4.94 121.20 114.45 2kl8 s ILE 70 Ca 0.00 -0.56 0.01 0.00 -0.26 0.00 0.00 60.65 59.84 2kl8 s ILE 70 Cb 0.00 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.18 2kl8 s ILE 70 CO 0.00 0.00 0.18 -0.89 0.24 0.00 0.00 174.94 174.47 2kl8 s THR 71 N -3.24 5.18 -0.08 8.37 2.01 -0.37 -4.56 115.64 122.95 2kl8 s THR 71 Ca 0.68 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.16 2kl8 s THR 71 Cb -0.04 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.98 2kl8 s THR 71 CO 0.46 0.14 0.19 0.54 -0.69 0.00 0.00 174.62 175.26 2kl8 s VAL 72 N -1.47 -0.03 -0.05 3.82 0.11 -1.26 -0.16 120.40 121.36 2kl8 s VAL 72 Ca 0.33 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.50 2kl8 s VAL 72 Cb -0.13 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 2kl8 s VAL 72 CO 0.26 0.04 -0.06 0.42 -3.33 0.00 0.00 175.10 172.44 2kl8 s THR 73 N 0.78 0.67 0.12 5.04 -4.23 0.12 -5.01 115.64 113.12 2kl8 s THR 73 Ca -0.06 -0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.33 2kl8 s THR 73 Cb -0.07 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.05 2kl8 s THR 73 CO -0.04 0.26 -0.16 -0.72 -0.54 0.00 0.00 174.62 173.42 2kl8 s TYR 74 N 0.97 1.50 -0.05 3.99 1.13 -1.26 -0.30 117.35 123.32 2kl8 s TYR 74 Ca -0.10 -0.50 0.03 0.00 -1.41 0.00 0.00 57.07 55.09 2kl8 s TYR 74 Cb -0.14 -0.79 0.00 0.00 -1.10 0.00 0.00 41.96 39.93 2kl8 s TYR 74 CO 0.00 0.17 -0.15 0.99 -2.51 0.00 0.00 175.55 174.05 2kl8 s THR 75 N -1.81 1.27 -0.25 -3.49 2.01 0.15 -4.99 115.64 108.52 2kl8 s THR 75 Ca 0.08 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.51 2kl8 s THR 75 Cb -0.07 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.38 2kl8 s THR 75 CO 0.04 0.38 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.62 2kl8 s ILE 76 N 0.35 2.00 0.07 1.82 1.01 -1.26 -1.29 121.20 123.90 2kl8 s ILE 76 Ca -0.09 -1.52 -0.11 0.00 0.00 0.00 0.00 60.65 58.93 2kl8 s ILE 76 Cb -0.13 -2.15 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 2kl8 s ILE 76 CO 0.03 -0.04 0.41 0.00 0.00 0.00 0.00 174.94 175.34 2kl8 s ARG 77 N 1.18 3.79 0.17 2.79 1.70 -1.19 -5.04 118.95 122.35 2kl8 s ARG 77 Ca -0.08 0.22 -0.04 0.00 -0.47 0.00 0.00 55.73 55.36 2kl8 s ARG 77 Cb -0.20 -3.02 -0.03 0.00 -0.57 0.00 0.00 34.95 31.13 2kl8 s ARG 77 CO -0.05 0.57 0.17 -0.48 -1.08 0.00 0.00 175.30 174.43 2kl8 s LEU 78 N -1.81 1.25 0.03 -1.89 2.34 -1.26 -3.87 118.68 113.47 2kl8 s LEU 78 Ca 0.32 -1.17 -0.23 0.00 0.06 0.00 0.00 54.13 53.11 2kl8 s LEU 78 Cb -0.14 0.67 -0.06 0.00 -0.56 0.00 0.00 46.19 46.10 2kl8 s LEU 78 CO 0.17 -0.84 0.69 -0.70 -1.06 0.00 0.00 176.35 174.61 2kl8 s GLU 79 N -4.06 4.42 -1.06 1.48 -6.30 -1.26 -4.96 118.70 106.96 2kl8 s GLU 79 Ca 0.27 0.93 -0.24 0.00 -2.50 0.00 0.00 54.97 53.43 2kl8 s GLU 79 Cb 0.06 -3.35 -0.11 0.00 0.00 0.00 0.00 34.13 30.73 2kl8 s GLU 79 CO 0.05 0.34 2.02 -3.38 0.02 0.00 0.00 175.26 174.32 2kl8 s HIS 80 N -0.20 1.68 0.49 5.30 -3.43 -1.26 -4.93 115.29 112.94 2kl8 s HIS 80 Ca 0.35 1.06 -0.06 0.00 -0.80 0.00 0.00 55.06 55.61 2kl8 s HIS 80 Cb -0.20 -3.81 -0.04 0.00 -1.43 0.00 0.00 32.58 27.11 2kl8 s HIS 80 CO 0.21 -1.25 0.81 -1.01 -2.00 0.00 0.00 174.74 171.49 2kl8 s HIS 81 N 12.49 3.56 -0.22 0.38 3.76 -1.26 -5.10 115.29 128.89 2kl8 s HIS 81 Ca 0.74 0.84 -0.27 0.00 -0.15 0.00 0.00 55.06 56.23 2kl8 s HIS 81 Cb -0.04 -2.34 0.08 0.00 1.11 0.00 0.00 32.58 31.38 2kl8 s HIS 81 CO 0.10 -0.32 0.76 -3.38 -0.85 0.00 0.00 174.74 171.06 2kl8 s HIS 82 N -2.78 -0.70 -0.04 1.40 -3.43 -1.26 -5.16 115.29 103.31 2kl8 s HIS 82 Ca 0.48 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.35 2kl8 s HIS 82 Cb -0.10 0.32 0.03 0.00 -1.43 0.00 0.00 32.58 31.39 2kl8 s HIS 82 CO 0.46 -0.41 -0.00 -1.58 -2.00 0.00 0.00 174.74 171.21 2kl8 s HIS 83 N -0.04 0.40 0.37 0.38 2.46 -1.26 -5.16 115.29 112.44 2kl8 s HIS 83 Ca -0.02 -0.03 -0.01 0.00 0.47 0.00 0.00 55.06 55.47 2kl8 s HIS 83 Cb -0.04 -0.50 -0.03 0.00 -0.13 0.00 0.00 32.58 31.88 2kl8 s HIS 83 CO 0.02 -0.17 0.60 -1.01 -2.47 0.00 0.00 174.74 171.71 2kl8 s HIS 84 N 1.21 3.51 -2.63 3.88 3.76 -1.26 -5.38 115.29 118.38 2kl8 s HIS 84 Ca -0.07 0.47 0.27 0.00 -0.15 0.00 0.00 55.06 55.58 2kl8 s HIS 84 Cb -0.13 -1.99 0.82 0.00 1.11 0.00 0.00 32.58 32.38 2kl8 s HIS 84 CO -0.02 0.04 1.62 0.72 -0.85 0.00 0.00 174.74 176.25