#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 0.85 -0.21 2.12 2.02 -1.07 -2.55 118.70 119.86 2kl8 s GLU 2 Ca 0.00 -0.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.63 2kl8 s GLU 2 Cb 0.00 -0.81 0.07 0.00 0.10 0.00 0.00 34.13 33.49 2kl8 s GLU 2 CO 0.00 0.15 0.10 1.41 0.02 0.00 0.00 175.26 176.94 2kl8 s MET 3 N 0.01 0.16 -0.50 1.61 1.75 -0.25 -1.84 119.30 120.25 2kl8 s MET 3 Ca -0.00 -0.26 -0.21 0.00 -1.25 0.00 0.00 55.69 53.96 2kl8 s MET 3 Cb -0.06 -1.67 0.04 0.00 2.84 0.00 0.00 34.83 35.98 2kl8 s MET 3 CO 0.00 -0.78 0.74 -0.51 -0.65 0.00 0.00 175.02 173.82 2kl8 s ASP 4 N 2.09 6.29 -0.43 1.11 1.01 0.51 -1.50 116.67 125.76 2kl8 s ASP 4 Ca 0.04 -0.56 -0.17 0.00 0.71 0.00 0.00 52.55 52.58 2kl8 s ASP 4 Cb -0.16 -2.35 0.03 0.00 1.01 0.00 0.00 42.92 41.45 2kl8 s ASP 4 CO -0.17 -0.97 0.42 -0.63 0.21 0.00 0.00 175.17 174.03 2kl8 s ILE 5 N 3.12 5.12 -0.22 0.77 -1.09 0.13 -0.72 121.20 128.31 2kl8 s ILE 5 Ca 0.22 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 2kl8 s ILE 5 Cb -0.16 -4.04 0.03 0.00 -1.58 0.00 0.00 42.46 36.71 2kl8 s ILE 5 CO 0.16 -0.44 -0.14 -0.60 -1.23 0.00 0.00 174.94 172.69 2kl8 s ARG 6 N 2.03 2.77 0.01 2.79 3.52 0.53 0.05 118.95 130.66 2kl8 s ARG 6 Ca 0.10 -0.99 -0.11 0.00 -0.13 0.00 0.00 55.73 54.60 2kl8 s ARG 6 Cb -0.18 -2.76 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 2kl8 s ARG 6 CO 0.12 -0.34 0.35 -0.06 -0.81 0.00 0.00 175.30 174.56 2kl8 s PHE 7 N 1.25 3.64 -0.06 5.12 0.08 0.58 -0.47 117.98 128.12 2kl8 s PHE 7 Ca 0.00 0.79 -0.03 0.00 0.12 0.00 0.00 56.93 57.82 2kl8 s PHE 7 Cb -0.16 -2.15 0.04 0.00 -0.57 0.00 0.00 43.02 40.18 2kl8 s PHE 7 CO -0.09 0.61 0.11 0.50 -0.10 0.00 0.00 175.22 176.25 2kl8 s ARG 8 N -1.48 -0.01 0.00 0.44 6.06 0.45 -1.50 118.95 122.90 2kl8 s ARG 8 Ca 0.27 0.46 0.00 0.00 -2.50 0.00 0.00 55.73 53.96 2kl8 s ARG 8 Cb -0.15 -0.36 0.00 0.00 0.06 0.00 0.00 34.95 34.51 2kl8 s ARG 8 CO 0.14 -0.30 0.00 0.41 -2.50 0.00 0.00 175.30 173.05 2kl8 n GLY 9 N 5.19 -0.93 2.94 8.12 0.00 -1.24 -0.60 105.19 118.67 2kl8 n GLY 9 Ca -0.06 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 2kl8 n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl8 s ASP 10 N -4.00 4.44 -0.29 1.61 2.15 -1.26 -4.83 116.67 114.49 2kl8 s ASP 10 Ca 0.00 -1.84 -0.26 0.00 0.43 0.00 0.00 52.55 50.88 2kl8 s ASP 10 Cb 0.00 -1.38 0.18 0.00 -0.30 0.00 0.00 42.92 41.42 2kl8 s ASP 10 CO 0.00 -0.35 1.36 -0.62 -0.17 0.00 0.00 175.17 175.38 2kl8 s ASP 11 N 1.16 -0.12 -0.00 -0.34 2.15 -1.26 -5.04 116.67 113.22 2kl8 s ASP 11 Ca 0.07 0.21 -0.20 0.00 0.43 0.00 0.00 52.55 53.06 2kl8 s ASP 11 Cb -0.19 0.21 -0.24 0.00 -0.30 0.00 0.00 42.92 42.40 2kl8 s ASP 11 CO -0.12 -0.05 1.09 0.25 -0.17 0.00 0.00 175.17 176.17 2kl8 h LEU 12 N 3.10 0.51 -0.68 -1.34 5.85 -2.02 -3.30 115.31 117.43 2kl8 h LEU 12 Ca -0.24 -0.77 -0.11 0.00 0.84 0.00 0.00 57.88 57.60 2kl8 h LEU 12 Cb 1.19 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2kl8 h LEU 12 CO 0.18 1.21 -0.52 -0.33 -0.34 0.00 0.00 178.44 178.64 2kl8 h GLU 13 N -0.14 0.00 -0.51 1.25 3.07 -2.02 -3.35 114.58 112.88 2kl8 h GLU 13 Ca -0.07 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.88 2kl8 h GLU 13 Cb 1.30 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.14 2kl8 h GLU 13 CO 0.12 0.52 0.08 0.00 -1.40 0.00 0.00 179.01 178.33 2kl8 h ALA 14 N 1.48 0.56 0.85 3.43 0.00 -1.97 0.34 119.26 123.94 2kl8 h ALA 14 Ca -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kl8 h ALA 14 Cb 1.10 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2kl8 h ALA 14 CO 0.07 -0.32 -0.41 0.74 0.00 0.00 0.00 179.25 179.33 2kl8 h PHE 15 N 0.21 -1.06 -0.62 0.00 0.04 -1.74 -1.01 116.94 112.77 2kl8 h PHE 15 Ca 0.26 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.92 2kl8 h PHE 15 Cb 0.36 0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 2kl8 h PHE 15 CO -0.25 -0.66 0.06 0.93 -0.60 0.00 0.00 178.31 177.80 2kl8 h GLU 16 N -1.18 1.05 0.21 1.51 3.07 -1.76 -1.92 114.58 115.56 2kl8 h GLU 16 Ca -0.12 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.44 2kl8 h GLU 16 Cb 0.87 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2kl8 h GLU 16 CO 0.19 0.99 -0.10 0.87 -1.40 0.00 0.00 179.01 179.56 2kl8 h LYS 17 N 0.97 -0.27 -0.93 2.33 1.79 -0.96 0.31 116.57 119.82 2kl8 h LYS 17 Ca 0.19 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.69 2kl8 h LYS 17 Cb 0.48 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 2kl8 h LYS 17 CO 0.02 0.02 0.61 0.00 -1.08 0.00 0.00 179.45 179.03 2kl8 h ALA 18 N 0.13 1.20 -0.69 3.86 0.00 -1.22 -1.71 119.26 120.84 2kl8 h ALA 18 Ca -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kl8 h ALA 18 Cb 0.42 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kl8 h ALA 18 CO 0.05 0.54 0.27 1.25 0.00 0.00 0.00 179.25 181.36 2kl8 h LEU 19 N 1.23 0.95 -0.27 0.00 5.85 -1.30 -3.06 115.31 118.70 2kl8 h LEU 19 Ca 0.35 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2kl8 h LEU 19 Cb -0.09 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 2kl8 h LEU 19 CO -0.09 0.87 0.07 0.50 -0.34 0.00 0.00 178.44 179.44 2kl8 h LYS 20 N 0.98 0.18 -0.50 1.25 1.63 0.53 -0.42 116.57 120.21 2kl8 h LYS 20 Ca 0.23 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 2kl8 h LYS 20 Cb 0.21 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2kl8 h LYS 20 CO -0.02 0.12 0.31 0.93 -3.45 0.00 0.00 179.45 177.34 2kl8 h GLU 21 N 0.18 0.67 -0.08 1.90 4.39 -1.45 0.53 114.58 120.72 2kl8 h GLU 21 Ca 0.12 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2kl8 h GLU 21 Cb 0.11 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2kl8 h GLU 21 CO -0.15 0.48 0.05 0.52 -1.16 0.00 0.00 179.01 178.74 2kl8 h MET 22 N 0.67 0.12 -0.59 2.33 2.86 -1.37 -2.61 114.93 116.34 2kl8 h MET 22 Ca 0.18 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 2kl8 h MET 22 Cb -0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 2kl8 h MET 22 CO -0.04 0.15 0.15 0.82 1.06 0.00 0.00 176.91 179.06 2kl8 h ILE 23 N 0.05 1.23 -0.46 -1.22 2.04 -0.95 -0.27 117.51 117.93 2kl8 h ILE 23 Ca 0.03 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.13 2kl8 h ILE 23 Cb 0.07 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 2kl8 h ILE 23 CO -0.00 0.32 0.07 -0.09 0.00 0.00 0.00 178.15 178.44 2kl8 h ARG 24 N 0.87 0.19 -0.10 2.37 9.65 -0.67 0.74 114.38 127.44 2kl8 h ARG 24 Ca 0.19 -0.01 -0.24 0.00 -1.10 0.00 0.00 59.98 58.82 2kl8 h ARG 24 Cb 0.30 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2kl8 h ARG 24 CO -0.00 0.13 -0.87 1.96 2.80 0.00 0.00 179.97 183.99 2kl8 h GLN 25 N 0.20 0.76 -0.88 0.20 1.08 -1.25 -3.28 115.11 111.93 2kl8 h GLN 25 Ca 0.23 -0.69 0.03 0.00 -1.45 0.00 0.00 58.65 56.77 2kl8 h GLN 25 Cb 0.31 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 2kl8 h GLN 25 CO -0.32 1.28 0.58 0.00 -0.95 0.00 0.00 178.83 179.42 2kl8 h ALA 26 N 0.49 1.43 -0.01 3.87 0.00 -0.62 -0.97 119.26 123.45 2kl8 h ALA 26 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kl8 h ALA 26 Cb 1.51 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kl8 h ALA 26 CO 0.18 0.50 0.01 0.00 0.00 0.00 0.00 179.25 179.93 2kl8 h ARG 27 N 1.12 0.00 0.00 0.00 3.08 -0.92 -1.02 114.38 116.65 2kl8 h ARG 27 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2kl8 h ARG 27 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2kl8 h ARG 27 CO -0.09 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.44 2kl8 n LYS 28 N -4.47 0.17 -3.29 0.04 5.02 -0.37 -4.79 118.16 110.47 2kl8 n LYS 28 Ca -0.03 0.34 -0.20 0.00 -2.02 0.00 0.00 58.31 56.41 2kl8 n LYS 28 Cb 0.10 -1.79 -0.00 0.00 -0.02 0.00 0.00 35.03 33.31 2kl8 n LYS 28 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kl8 n PHE 29 N -2.11 -0.71 0.93 2.13 3.72 -0.39 -5.05 117.46 115.99 2kl8 n PHE 29 Ca 0.03 -1.75 0.11 0.00 -0.05 0.00 0.00 57.45 55.79 2kl8 n PHE 29 Cb 0.26 -0.33 -0.01 0.00 -0.94 0.00 0.00 39.48 38.46 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 -2.12 4.28 -1.72 4.37 0.00 -1.26 -4.98 120.51 119.07 2kl8 n ALA 30 Ca -0.13 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.44 2kl8 n ALA 30 Cb 0.47 -0.88 0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.11 2.65 0.01 0.00 0.00 -1.26 -4.99 107.32 100.62 2kl8 s GLY 31 Ca 0.08 0.93 -0.07 0.00 0.00 0.00 0.00 44.72 45.66 2kl8 s GLY 31 CO 0.82 1.31 0.27 -1.59 0.00 0.00 0.00 173.10 173.92 2kl8 s THR 32 N -1.71 5.29 -0.05 0.90 2.01 0.68 -4.85 115.64 117.92 2kl8 s THR 32 Ca 0.76 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.96 2kl8 s THR 32 Cb -0.28 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2kl8 s THR 32 CO 0.33 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.82 2kl8 s VAL 33 N -1.30 1.07 -0.01 3.82 1.01 -1.26 -1.03 120.40 122.71 2kl8 s VAL 33 Ca 0.27 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2kl8 s VAL 33 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2kl8 s VAL 33 CO 0.16 0.33 -0.11 0.28 0.00 0.00 0.00 175.10 175.77 2kl8 s THR 34 N 0.52 0.84 0.08 3.92 -1.32 -0.71 -5.01 115.64 113.96 2kl8 s THR 34 Ca -0.11 -0.48 0.04 0.00 -1.21 0.00 0.00 61.69 59.94 2kl8 s THR 34 Cb -0.14 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 2kl8 s THR 34 CO 0.03 0.23 -0.12 -0.72 -2.21 0.00 0.00 174.62 171.82 2kl8 s TYR 35 N -0.28 1.12 -0.03 9.09 1.13 -1.26 -0.15 117.35 126.98 2kl8 s TYR 35 Ca 0.04 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.19 2kl8 s TYR 35 Cb -0.04 -0.63 0.02 0.00 -1.10 0.00 0.00 41.96 40.21 2kl8 s TYR 35 CO -0.00 0.03 -0.01 -0.08 -2.51 0.00 0.00 175.55 172.98 2kl8 s THR 36 N -1.60 0.24 -0.25 -3.49 -1.32 -0.22 -5.01 115.64 103.99 2kl8 s THR 36 Ca -0.01 0.02 -0.10 0.00 -1.21 0.00 0.00 61.69 60.39 2kl8 s THR 36 Cb -0.08 -0.30 -0.05 0.00 -1.51 0.00 0.00 72.50 70.56 2kl8 s THR 36 CO 0.02 0.14 0.15 -0.76 -2.21 0.00 0.00 174.62 171.96 2kl8 s LEU 37 N 0.80 4.00 -0.62 9.08 2.01 -1.26 -2.22 118.68 130.47 2kl8 s LEU 37 Ca -0.08 0.04 0.04 0.00 0.01 0.00 0.00 54.13 54.15 2kl8 s LEU 37 Cb -0.12 -2.08 0.15 0.00 0.01 0.00 0.00 46.19 44.16 2kl8 s LEU 37 CO -0.01 0.03 0.40 -0.62 1.01 0.00 0.00 176.35 177.16 2kl8 s ASP 38 N 1.24 4.42 1.06 2.29 2.15 0.16 -5.01 116.67 122.97 2kl8 s ASP 38 Ca 0.07 -3.48 0.00 0.00 0.43 0.00 0.00 52.55 49.57 2kl8 s ASP 38 Cb -0.14 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.94 2kl8 s ASP 38 CO 0.06 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 2kl8 n GLY 39 N 2.47 0.51 1.19 2.66 0.00 -1.26 -1.31 105.19 109.46 2kl8 n GLY 39 Ca 0.15 0.58 0.05 0.00 0.00 0.00 0.00 46.02 46.79 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 8.41 4.06 -4.14 1.61 3.02 -1.26 -4.96 115.26 122.00 2kl8 n ASN 40 Ca 0.00 -3.13 -0.23 0.00 -0.03 0.00 0.00 54.58 51.18 2kl8 n ASN 40 Cb 0.00 -0.60 -0.15 0.00 -0.61 0.00 0.00 39.78 38.42 2kl8 n ASN 40 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kl8 s ASP 41 N -1.76 1.85 -0.09 6.41 2.15 -0.42 -3.72 116.67 121.08 2kl8 s ASP 41 Ca 0.46 -0.30 -0.01 0.00 0.43 0.00 0.00 52.55 53.12 2kl8 s ASP 41 Cb 0.37 -0.20 0.03 0.00 -0.30 0.00 0.00 42.92 42.82 2kl8 s ASP 41 CO 0.09 0.18 -0.01 -0.22 -0.17 0.00 0.00 175.17 175.04 2kl8 s LEU 42 N -0.44 0.78 -0.14 -1.34 2.96 -0.56 -0.66 118.68 119.28 2kl8 s LEU 42 Ca 0.06 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2kl8 s LEU 42 Cb -0.06 -0.54 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 2kl8 s LEU 42 CO -0.00 -0.19 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.10 2kl8 s GLU 43 N 1.90 3.54 -0.24 1.98 2.56 -0.94 -0.31 118.70 127.20 2kl8 s GLU 43 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 54.97 54.51 2kl8 s GLU 43 Cb -0.13 -2.88 0.06 0.00 2.00 0.00 0.00 34.13 33.18 2kl8 s GLU 43 CO -0.06 0.32 -0.03 0.42 -0.56 0.00 0.00 175.26 175.36 2kl8 s ILE 44 N 0.14 1.37 -0.46 -3.70 1.01 0.11 -1.05 121.20 118.62 2kl8 s ILE 44 Ca -0.01 -1.18 -0.20 0.00 0.00 0.00 0.00 60.65 59.26 2kl8 s ILE 44 Cb -0.14 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.66 2kl8 s ILE 44 CO 0.03 -0.17 0.64 -0.60 0.00 0.00 0.00 174.94 174.84 2kl8 s ARG 45 N 1.46 3.22 -0.13 2.79 3.52 0.79 0.23 118.95 130.82 2kl8 s ARG 45 Ca -0.04 -0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 54.97 2kl8 s ARG 45 Cb -0.19 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 2kl8 s ARG 45 CO -0.08 -1.09 0.08 0.42 -0.81 0.00 0.00 175.30 173.83 2kl8 s ILE 46 N 2.79 5.01 -0.09 4.11 1.01 -0.56 -1.74 121.20 131.73 2kl8 s ILE 46 Ca 0.20 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 2kl8 s ILE 46 Cb -0.16 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.17 2kl8 s ILE 46 CO 0.17 0.56 0.18 -0.89 0.00 0.00 0.00 174.94 174.95 2kl8 s THR 47 N -0.52 -0.25 0.00 2.92 2.01 -0.20 -1.09 115.64 118.51 2kl8 s THR 47 Ca 0.11 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2kl8 s THR 47 Cb -0.12 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.08 2kl8 s THR 47 CO 0.02 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2kl8 n GLY 48 N 5.13 1.19 3.74 4.40 0.00 -1.06 -0.23 105.19 118.36 2kl8 n GLY 48 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.42 3.40 0.66 1.61 -7.23 -1.26 -4.55 120.40 112.60 2kl8 s VAL 49 Ca 0.00 1.17 -0.16 0.00 -1.81 0.00 0.00 61.98 61.18 2kl8 s VAL 49 Cb 0.00 -3.74 -0.00 0.00 0.56 0.00 0.00 36.38 33.19 2kl8 s VAL 49 CO 0.00 0.18 1.14 -2.16 -0.31 0.00 0.00 175.10 173.95 2kl8 s PRO 50 N -0.16 2.74 0.49 4.82 0.04 -1.26 -4.48 135.00 137.19 2kl8 s PRO 50 Ca 0.55 1.52 0.19 0.00 0.04 0.00 0.00 61.00 63.30 2kl8 s PRO 50 Cb -0.34 -1.93 1.24 0.00 0.04 0.00 0.00 34.50 33.50 2kl8 s PRO 50 CO 0.37 -1.32 2.03 1.05 0.04 0.00 0.00 177.00 179.18 2kl8 h GLU 51 N 0.16 0.14 -0.10 4.56 -0.00 -1.96 -0.52 114.58 116.86 2kl8 h GLU 51 Ca -0.48 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.36 58.72 2kl8 h GLU 51 Cb 1.26 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.97 2kl8 h GLU 51 CO 0.54 0.09 -0.60 -0.56 -0.00 0.00 0.00 179.01 178.48 2kl8 h GLN 52 N 0.14 0.34 0.00 1.06 3.07 -2.03 -3.12 115.11 114.58 2kl8 h GLN 52 Ca 0.19 -0.23 -0.22 0.00 0.09 0.00 0.00 58.65 58.48 2kl8 h GLN 52 Cb 0.58 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.14 2kl8 h GLN 52 CO -0.03 0.83 -1.10 0.28 0.09 0.00 0.00 178.83 178.91 2kl8 h VAL 53 N 0.25 1.59 -0.74 1.86 2.07 -1.64 -3.34 116.25 116.31 2kl8 h VAL 53 Ca -0.00 -3.32 0.16 0.00 0.82 0.00 0.00 66.70 64.36 2kl8 h VAL 53 Cb 1.12 2.79 -0.11 0.00 -1.52 0.00 0.00 31.29 33.57 2kl8 h VAL 53 CO 0.10 0.91 0.18 -0.09 0.02 0.00 0.00 177.57 178.68 2kl8 h ARG 54 N 0.00 0.26 -0.07 1.57 1.12 -1.07 0.16 114.38 116.35 2kl8 h ARG 54 Ca -0.05 -0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.75 2kl8 h ARG 54 Cb 1.81 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.70 2kl8 h ARG 54 CO 0.12 0.17 -0.22 1.57 -3.11 0.00 0.00 179.97 178.50 2kl8 h LYS 55 N 0.26 0.12 -0.15 0.20 2.10 -1.67 -0.32 116.57 117.11 2kl8 h LYS 55 Ca 0.42 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.94 2kl8 h LYS 55 Cb 0.72 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2kl8 h LYS 55 CO -0.52 0.34 -0.31 0.93 -2.00 0.00 0.00 179.45 177.90 2kl8 h GLU 56 N 0.11 0.47 -0.46 0.07 4.39 -1.19 -2.53 114.58 115.44 2kl8 h GLU 56 Ca 0.02 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 2kl8 h GLU 56 Cb 0.46 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2kl8 h GLU 56 CO 0.03 0.91 0.11 -0.07 -1.16 0.00 0.00 179.01 178.83 2kl8 h LEU 57 N 0.09 0.64 -0.46 1.33 3.38 -0.88 -2.40 115.31 117.01 2kl8 h LEU 57 Ca 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2kl8 h LEU 57 Cb 0.90 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2kl8 h LEU 57 CO 0.07 0.64 0.26 0.00 0.09 0.00 0.00 178.44 179.50 2kl8 h ALA 58 N 1.45 0.58 -0.67 1.53 0.00 -1.02 0.47 119.26 121.61 2kl8 h ALA 58 Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2kl8 h ALA 58 Cb 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2kl8 h ALA 58 CO -0.00 0.10 0.41 -0.22 0.00 0.00 0.00 179.25 179.53 2kl8 h LYS 59 N 0.60 0.76 -0.46 0.00 3.64 -1.13 -1.90 116.57 118.08 2kl8 h LYS 59 Ca 0.16 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2kl8 h LYS 59 Cb 0.04 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2kl8 h LYS 59 CO -0.03 0.50 -0.04 1.49 -2.27 0.00 0.00 179.45 179.11 2kl8 h GLU 60 N 0.78 0.83 -0.58 1.90 4.57 -1.15 -1.88 114.58 119.06 2kl8 h GLU 60 Ca 0.28 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2kl8 h GLU 60 Cb 0.06 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 2kl8 h GLU 60 CO -0.12 0.91 0.27 0.00 -1.18 0.00 0.00 179.01 178.88 2kl8 h ALA 61 N 0.90 0.75 -0.45 2.92 0.00 -0.55 0.86 119.26 123.68 2kl8 h ALA 61 Ca 0.12 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2kl8 h ALA 61 Cb 0.55 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2kl8 h ALA 61 CO 0.03 -0.11 -0.00 0.93 0.00 0.00 0.00 179.25 180.10 2kl8 h GLU 62 N 0.50 0.73 -0.22 0.00 5.08 -1.26 -2.35 114.58 117.06 2kl8 h GLU 62 Ca 0.27 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2kl8 h GLU 62 Cb 0.24 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2kl8 h GLU 62 CO -0.22 0.75 0.13 -0.09 -1.00 0.00 0.00 179.01 178.57 2kl8 h ARG 63 N 0.69 0.25 -0.73 2.33 9.65 -0.39 -2.60 114.38 123.58 2kl8 h ARG 63 Ca 0.14 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.09 2kl8 h ARG 63 Cb 0.43 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.89 2kl8 h ARG 63 CO 0.02 0.17 0.39 -0.07 2.80 0.00 0.00 179.97 183.27 2kl8 h LEU 64 N 0.26 0.54 -0.51 3.80 3.38 -0.62 -0.18 115.31 121.98 2kl8 h LEU 64 Ca 0.08 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2kl8 h LEU 64 Cb -0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2kl8 h LEU 64 CO -0.04 0.32 0.18 0.00 0.09 0.00 0.00 178.44 178.99 2kl8 h ALA 65 N 1.42 0.63 -0.49 1.53 0.00 -1.14 -2.15 119.26 119.06 2kl8 h ALA 65 Ca 0.35 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 2kl8 h ALA 65 Cb 0.32 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2kl8 h ALA 65 CO -0.24 -0.22 -0.07 0.87 0.00 0.00 0.00 179.25 179.59 2kl8 h LYS 66 N 0.35 0.87 -0.85 0.00 1.79 -0.96 0.21 116.57 117.97 2kl8 h LYS 66 Ca 0.25 -0.28 0.17 0.00 -2.18 0.00 0.00 60.65 58.61 2kl8 h LYS 66 Cb 0.27 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.79 2kl8 h LYS 66 CO -0.26 0.91 0.56 0.93 -1.08 0.00 0.00 179.45 180.52 2kl8 h GLU 67 N 0.79 0.48 -0.13 3.15 4.39 -0.39 -1.96 114.58 120.91 2kl8 h GLU 67 Ca 0.14 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2kl8 h GLU 67 Cb 0.58 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2kl8 h GLU 67 CO 0.04 0.32 0.00 1.19 -1.16 0.00 0.00 179.01 179.39 2kl8 n PHE 68 N -4.52 0.16 -1.98 4.33 3.72 -1.09 -4.99 117.46 113.10 2kl8 n PHE 68 Ca 0.17 -0.31 -0.20 0.00 -0.05 0.00 0.00 57.45 57.06 2kl8 n PHE 68 Cb 0.58 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.18 -5.59 -4.87 4.37 5.03 0.50 -4.94 115.26 109.94 2kl8 n ASN 69 Ca 0.05 0.24 -0.20 0.00 0.87 0.00 0.00 54.58 55.55 2kl8 n ASN 69 Cb 0.28 -4.74 0.06 0.00 -1.02 0.00 0.00 39.78 34.36 2kl8 n ASN 69 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2kl8 n ILE 70 N -3.21 0.00 -3.95 2.41 -6.64 0.11 -4.98 119.36 103.10 2kl8 n ILE 70 Ca -0.22 -1.94 -0.35 0.00 -1.77 0.00 0.00 62.75 58.47 2kl8 n ILE 70 Cb 0.67 -0.45 -0.09 0.00 -1.44 0.00 0.00 39.64 38.33 2kl8 n ILE 70 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 2kl8 s THR 71 N -2.56 4.98 -0.11 7.28 2.01 0.23 -4.52 115.64 122.95 2kl8 s THR 71 Ca 0.55 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 2kl8 s THR 71 Cb -0.04 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2kl8 s THR 71 CO 0.35 0.48 -0.08 0.54 -0.69 0.00 0.00 174.62 175.23 2kl8 s VAL 72 N 0.12 3.57 -0.10 3.82 0.11 -1.26 -0.41 120.40 126.25 2kl8 s VAL 72 Ca 0.06 -0.50 -0.00 0.00 -2.93 0.00 0.00 61.98 58.61 2kl8 s VAL 72 Cb -0.12 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.25 2kl8 s VAL 72 CO 0.00 0.54 -0.06 0.42 -3.33 0.00 0.00 175.10 172.67 2kl8 s THR 73 N -0.13 0.89 -0.07 5.04 -4.23 0.38 -5.01 115.64 112.51 2kl8 s THR 73 Ca 0.01 -0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 2kl8 s THR 73 Cb -0.13 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.80 2kl8 s THR 73 CO 0.03 0.34 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.62 2kl8 s TYR 74 N 1.65 1.37 -0.27 3.99 -0.85 -1.26 -0.35 117.35 121.63 2kl8 s TYR 74 Ca 0.03 -0.51 -0.09 0.00 -0.52 0.00 0.00 57.07 55.98 2kl8 s TYR 74 Cb -0.13 -1.03 -0.03 0.00 0.38 0.00 0.00 41.96 41.15 2kl8 s TYR 74 CO -0.06 -0.28 0.13 0.99 -1.52 0.00 0.00 175.55 174.80 2kl8 s THR 75 N 0.76 4.70 -0.06 -3.49 2.01 0.10 -4.93 115.64 114.73 2kl8 s THR 75 Ca -0.13 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.81 2kl8 s THR 75 Cb -0.15 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 2kl8 s THR 75 CO 0.03 0.26 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.37 2kl8 s ILE 76 N 1.66 1.75 -0.03 1.82 1.01 -1.26 -0.36 121.20 125.79 2kl8 s ILE 76 Ca 0.06 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.88 2kl8 s ILE 76 Cb -0.16 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2kl8 s ILE 76 CO 0.07 0.49 -0.16 0.00 0.00 0.00 0.00 174.94 175.34 2kl8 s ARG 77 N 0.08 1.51 0.18 2.79 1.70 -0.77 -5.04 118.95 119.41 2kl8 s ARG 77 Ca -0.08 -0.56 0.01 0.00 -0.47 0.00 0.00 55.73 54.64 2kl8 s ARG 77 Cb -0.14 -1.37 -0.05 0.00 -0.57 0.00 0.00 34.95 32.82 2kl8 s ARG 77 CO 0.04 0.27 0.02 -0.48 -1.08 0.00 0.00 175.30 174.07 2kl8 s LEU 78 N -0.09 2.02 -0.66 -1.89 2.34 -1.26 -2.59 118.68 116.55 2kl8 s LEU 78 Ca -0.00 -1.20 -0.26 0.00 0.06 0.00 0.00 54.13 52.73 2kl8 s LEU 78 Cb -0.09 -0.00 -0.05 0.00 -0.56 0.00 0.00 46.19 45.49 2kl8 s LEU 78 CO 0.01 -0.61 2.07 -0.70 -1.06 0.00 0.00 176.35 176.06 2kl8 s GLU 79 N -3.94 2.38 -0.27 1.48 2.12 -1.26 -4.95 118.70 114.25 2kl8 s GLU 79 Ca 0.25 0.62 -0.14 0.00 0.36 0.00 0.00 54.97 56.07 2kl8 s GLU 79 Cb 0.06 -4.60 -0.04 0.00 0.26 0.00 0.00 34.13 29.81 2kl8 s GLU 79 CO 0.05 -3.16 0.31 -3.38 -0.54 0.00 0.00 175.26 168.54 2kl8 s HIS 80 N 10.61 3.24 -0.30 5.30 -3.43 -1.26 -5.06 115.29 124.38 2kl8 s HIS 80 Ca 0.78 0.31 -0.21 0.00 -0.80 0.00 0.00 55.06 55.14 2kl8 s HIS 80 Cb -0.13 -2.51 -0.01 0.00 -1.43 0.00 0.00 32.58 28.51 2kl8 s HIS 80 CO 0.17 -0.21 0.65 -1.01 -2.00 0.00 0.00 174.74 172.34 2kl8 s HIS 81 N 1.97 3.22 -1.19 0.38 0.09 -1.26 -4.98 115.29 113.52 2kl8 s HIS 81 Ca 0.12 0.63 -0.19 0.00 -0.00 0.00 0.00 55.06 55.62 2kl8 s HIS 81 Cb -0.16 -3.00 -0.03 0.00 -0.00 0.00 0.00 32.58 29.39 2kl8 s HIS 81 CO 0.10 -0.47 1.93 1.58 -0.00 0.00 0.00 174.74 177.88 2kl8 n HIS 82 N 5.90 3.30 -3.07 1.40 -0.00 -1.26 -4.95 115.22 116.54 2kl8 n HIS 82 Ca -0.00 -2.25 -0.30 0.00 0.46 0.00 0.00 57.72 55.63 2kl8 n HIS 82 Cb 0.49 -2.42 -0.04 0.00 -0.12 0.00 0.00 29.99 27.90 2kl8 n HIS 82 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kl8 s HIS 83 N 6.20 3.46 0.48 1.57 -3.43 -1.26 -5.11 115.29 117.20 2kl8 s HIS 83 Ca 0.58 0.94 0.01 0.00 -0.80 0.00 0.00 55.06 55.78 2kl8 s HIS 83 Cb 0.07 -2.35 0.09 0.00 -1.43 0.00 0.00 32.58 28.97 2kl8 s HIS 83 CO 0.07 0.03 0.66 0.72 -2.00 0.00 0.00 174.74 174.22 2kl8 n HIS 84 N -0.98 -3.02 -1.91 0.38 8.25 -1.26 -5.32 115.22 111.36 2kl8 n HIS 84 Ca 0.01 -1.21 0.00 0.00 -0.26 0.00 0.00 57.72 56.26 2kl8 n HIS 84 Cb 0.54 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2kl8 n HIS 84 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56