#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 0.44 -0.09 2.12 2.02 0.33 -1.00 118.70 122.52 2kl8 s GLU 2 Ca 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 54.97 54.71 2kl8 s GLU 2 Cb 0.00 -0.41 0.05 0.00 0.10 0.00 0.00 34.13 33.87 2kl8 s GLU 2 CO 0.00 0.11 0.18 0.00 0.02 0.00 0.00 175.26 175.57 2kl8 s MET 3 N -0.27 0.06 -0.54 1.61 0.23 -0.60 -0.87 119.30 118.92 2kl8 s MET 3 Ca 0.01 0.61 -0.21 0.00 -1.03 0.00 0.00 55.69 55.06 2kl8 s MET 3 Cb -0.03 -0.22 0.06 0.00 -1.53 0.00 0.00 34.83 33.11 2kl8 s MET 3 CO -0.00 -0.30 0.78 -0.51 -2.03 0.00 0.00 175.02 172.96 2kl8 s ASP 4 N 2.32 6.26 -0.39 -1.18 1.01 -0.23 -1.62 116.67 122.84 2kl8 s ASP 4 Ca 0.03 -0.75 -0.12 0.00 0.71 0.00 0.00 52.55 52.42 2kl8 s ASP 4 Cb -0.12 -2.36 0.04 0.00 1.01 0.00 0.00 42.92 41.49 2kl8 s ASP 4 CO -0.06 -1.09 0.24 -0.63 0.21 0.00 0.00 175.17 173.83 2kl8 s ILE 5 N 3.28 4.67 -0.19 0.77 1.01 0.11 -1.70 121.20 129.14 2kl8 s ILE 5 Ca 0.21 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 2kl8 s ILE 5 Cb -0.17 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2kl8 s ILE 5 CO 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 174.94 174.77 2kl8 s ARG 6 N 1.56 3.64 -0.17 2.79 1.70 -0.14 -0.27 118.95 128.05 2kl8 s ARG 6 Ca 0.03 -0.52 -0.07 0.00 -0.47 0.00 0.00 55.73 54.70 2kl8 s ARG 6 Cb -0.20 -3.06 -0.04 0.00 -0.57 0.00 0.00 34.95 31.08 2kl8 s ARG 6 CO 0.07 0.06 0.08 -0.06 -1.08 0.00 0.00 175.30 174.36 2kl8 s PHE 7 N 0.88 3.32 -0.08 5.89 0.40 0.15 -2.28 117.98 126.26 2kl8 s PHE 7 Ca 0.01 0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.49 2kl8 s PHE 7 Cb -0.14 -2.05 0.05 0.00 0.51 0.00 0.00 43.02 41.38 2kl8 s PHE 7 CO 0.02 0.28 0.15 0.50 0.70 0.00 0.00 175.22 176.87 2kl8 s ARG 8 N 0.08 0.02 -0.15 0.44 3.52 0.20 -0.83 118.95 122.23 2kl8 s ARG 8 Ca 0.06 0.53 -0.34 0.00 -0.13 0.00 0.00 55.73 55.86 2kl8 s ARG 8 Cb -0.12 -0.32 0.13 0.00 -1.56 0.00 0.00 34.95 33.08 2kl8 s ARG 8 CO 0.00 -0.31 1.16 0.20 -0.81 0.00 0.00 175.30 175.54 2kl8 s GLY 9 N 2.28 -0.32 -0.99 8.12 0.00 -1.26 -0.20 107.32 114.95 2kl8 s GLY 9 Ca 0.03 1.48 -0.20 0.00 0.00 0.00 0.00 44.72 46.03 2kl8 s GLY 9 CO -0.05 0.49 1.27 0.99 0.00 0.00 0.00 173.10 175.79 2kl8 s ASP 10 N -2.25 6.62 0.12 1.64 1.11 -1.26 -4.92 116.67 117.73 2kl8 s ASP 10 Ca 0.09 -1.94 -0.26 0.00 0.18 0.00 0.00 52.55 50.63 2kl8 s ASP 10 Cb -0.01 -2.46 0.07 0.00 1.07 0.00 0.00 42.92 41.60 2kl8 s ASP 10 CO -0.05 -1.18 0.87 -0.62 1.18 0.00 0.00 175.17 175.36 2kl8 s ASP 11 N 4.01 -0.29 -0.16 0.27 2.15 -1.26 -5.02 116.67 116.37 2kl8 s ASP 11 Ca 0.38 -0.25 -0.10 0.00 0.43 0.00 0.00 52.55 53.01 2kl8 s ASP 11 Cb -0.03 0.49 -0.07 0.00 -0.30 0.00 0.00 42.92 43.01 2kl8 s ASP 11 CO -0.08 -0.87 -0.24 -0.11 -0.17 0.00 0.00 175.17 173.70 2kl8 n LEU 12 N -0.39 1.37 0.20 -1.34 7.94 -1.26 -4.66 117.00 118.86 2kl8 n LEU 12 Ca -0.08 0.23 0.07 0.00 -1.11 0.00 0.00 56.01 55.12 2kl8 n LEU 12 Cb 0.61 -0.55 0.38 0.00 0.53 0.00 0.00 43.42 44.39 2kl8 n LEU 12 CO 0.13 0.20 0.72 -0.33 -1.11 0.00 0.00 177.39 177.01 2kl8 h GLU 13 N -0.66 0.00 -0.65 1.96 5.08 -2.02 -3.18 114.58 115.11 2kl8 h GLU 13 Ca -0.37 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.18 2kl8 h GLU 13 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 2kl8 h GLU 13 CO -0.22 0.32 0.47 0.00 -1.00 0.00 0.00 179.01 178.58 2kl8 h ALA 14 N 1.68 2.60 0.89 3.43 0.00 -1.98 0.10 119.26 125.98 2kl8 h ALA 14 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2kl8 h ALA 14 Cb 0.83 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kl8 h ALA 14 CO 0.04 -0.78 -0.48 0.35 0.00 0.00 0.00 179.25 178.38 2kl8 h PHE 15 N 0.02 -1.27 -0.61 0.00 3.57 -1.85 0.70 116.94 117.50 2kl8 h PHE 15 Ca 0.31 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.83 2kl8 h PHE 15 Cb 1.22 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 40.36 2kl8 h PHE 15 CO -0.00 -0.75 0.35 1.49 -2.23 0.00 0.00 178.31 177.17 2kl8 h GLU 16 N -1.27 0.66 0.47 1.11 4.81 -1.50 -1.23 114.58 117.63 2kl8 h GLU 16 Ca -0.12 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 2kl8 h GLU 16 Cb 0.99 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2kl8 h GLU 16 CO 0.17 0.44 -0.32 0.87 -0.73 0.00 0.00 179.01 179.44 2kl8 h LYS 17 N 0.68 -0.73 -0.46 1.92 1.79 -0.98 -1.03 116.57 117.75 2kl8 h LYS 17 Ca 0.26 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.76 2kl8 h LYS 17 Cb 0.10 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 2kl8 h LYS 17 CO -0.14 -0.49 0.19 0.00 -1.08 0.00 0.00 179.45 177.93 2kl8 h ALA 18 N -0.31 0.60 0.56 3.86 0.00 -0.76 -2.19 119.26 121.02 2kl8 h ALA 18 Ca -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2kl8 h ALA 18 Cb 0.63 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kl8 h ALA 18 CO 0.04 0.20 -0.27 1.25 0.00 0.00 0.00 179.25 180.46 2kl8 h LEU 19 N 0.60 -0.64 -0.72 0.00 5.85 -1.20 -3.04 115.31 116.17 2kl8 h LEU 19 Ca 0.16 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2kl8 h LEU 19 Cb 0.18 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2kl8 h LEU 19 CO -0.01 -0.39 0.30 0.50 -0.34 0.00 0.00 178.44 178.50 2kl8 h LYS 20 N -0.86 1.06 -0.42 1.25 1.63 -1.18 -1.27 116.57 116.77 2kl8 h LYS 20 Ca -0.08 -0.19 0.06 0.00 -0.85 0.00 0.00 60.65 59.60 2kl8 h LYS 20 Cb 0.62 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 32.02 2kl8 h LYS 20 CO 0.13 0.87 0.10 0.93 -3.45 0.00 0.00 179.45 178.02 2kl8 h GLU 21 N 1.02 0.23 -0.13 1.90 4.39 -1.44 -1.13 114.58 119.42 2kl8 h GLU 21 Ca 0.24 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.74 2kl8 h GLU 21 Cb 0.20 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2kl8 h GLU 21 CO -0.02 0.15 -0.68 0.52 -1.16 0.00 0.00 179.01 177.82 2kl8 h MET 22 N 0.23 0.53 -0.60 2.33 2.86 -1.39 -3.00 114.93 115.90 2kl8 h MET 22 Ca 0.21 -0.40 0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2kl8 h MET 22 Cb 0.24 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2kl8 h MET 22 CO -0.26 1.03 0.40 0.82 1.06 0.00 0.00 176.91 179.96 2kl8 h ILE 23 N 0.38 0.97 -0.70 -1.22 2.04 -0.78 -1.80 117.51 116.39 2kl8 h ILE 23 Ca -0.02 -0.18 0.15 0.00 1.00 0.00 0.00 64.86 65.81 2kl8 h ILE 23 Cb 1.26 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 37.61 2kl8 h ILE 23 CO 0.13 0.10 0.10 -0.09 0.00 0.00 0.00 178.15 178.39 2kl8 h ARG 24 N 0.54 0.19 -0.06 2.37 2.43 -1.06 0.11 114.38 118.90 2kl8 h ARG 24 Ca 0.27 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.27 2kl8 h ARG 24 Cb 0.36 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2kl8 h ARG 24 CO -0.08 0.13 -0.58 1.96 -1.51 0.00 0.00 179.97 179.89 2kl8 h GLN 25 N 0.20 0.50 -0.73 0.20 1.08 -1.54 -3.33 115.11 111.49 2kl8 h GLN 25 Ca 0.39 -0.45 0.13 0.00 -1.45 0.00 0.00 58.65 57.26 2kl8 h GLN 25 Cb 0.66 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.15 2kl8 h GLN 25 CO -0.53 1.09 0.48 0.00 -0.95 0.00 0.00 178.83 178.92 2kl8 h ALA 26 N 0.41 2.02 0.00 3.87 0.00 -0.42 0.42 119.26 125.56 2kl8 h ALA 26 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kl8 h ALA 26 Cb 1.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kl8 h ALA 26 CO 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.14 2kl8 h ARG 27 N 0.47 0.00 0.00 0.00 2.47 -0.93 -0.86 114.38 115.53 2kl8 h ARG 27 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2kl8 h ARG 27 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 2kl8 h ARG 27 CO -0.12 0.02 0.00 1.63 0.56 0.00 0.00 179.97 182.07 2kl8 n LYS 28 N -4.36 0.15 -4.21 0.04 4.01 0.14 -4.82 118.16 109.11 2kl8 n LYS 28 Ca -0.03 0.27 -0.29 0.00 -0.51 0.00 0.00 58.31 57.75 2kl8 n LYS 28 Cb 0.11 -1.73 -0.09 0.00 -0.51 0.00 0.00 35.03 32.81 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 -3.15 2.80 -0.98 2.13 0.08 -0.33 -5.05 117.98 113.49 2kl8 s PHE 29 Ca 0.08 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 56.98 2kl8 s PHE 29 Cb 0.12 -1.43 0.31 0.00 -0.57 0.00 0.00 43.02 41.45 2kl8 s PHE 29 CO 0.46 0.47 1.94 0.00 -0.10 0.00 0.00 175.22 177.98 2kl8 n ALA 30 N 0.41 6.25 -3.68 5.36 0.00 -1.26 -4.97 120.51 122.62 2kl8 n ALA 30 Ca -0.12 -4.41 0.00 0.00 0.00 0.00 0.00 53.44 48.91 2kl8 n ALA 30 Cb 0.53 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 -0.07 4.73 3.60 0.00 0.00 -1.26 -5.05 105.19 107.15 2kl8 n GLY 31 Ca 0.50 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.86 4.75 -0.20 2.61 2.01 -0.40 -4.98 115.64 118.58 2kl8 s THR 32 Ca 0.00 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 2kl8 s THR 32 Cb 0.00 -3.16 0.06 0.00 0.01 0.00 0.00 72.50 69.41 2kl8 s THR 32 CO 0.00 0.43 0.00 -0.69 -0.69 0.00 0.00 174.62 173.67 2kl8 s VAL 33 N 0.64 0.83 0.29 3.82 1.01 -1.26 -0.37 120.40 125.36 2kl8 s VAL 33 Ca 0.04 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.40 2kl8 s VAL 33 Cb -0.13 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 2kl8 s VAL 33 CO 0.01 -0.14 -0.13 0.28 0.00 0.00 0.00 175.10 175.13 2kl8 s THR 34 N 1.72 2.17 -0.22 3.92 -1.32 -0.78 -4.99 115.64 116.14 2kl8 s THR 34 Ca -0.02 -2.27 -0.20 0.00 -1.21 0.00 0.00 61.69 57.99 2kl8 s THR 34 Cb -0.17 -2.41 0.06 0.00 -1.51 0.00 0.00 72.50 68.46 2kl8 s THR 34 CO -0.07 -0.34 0.59 -0.72 -2.21 0.00 0.00 174.62 171.87 2kl8 s TYR 35 N -2.68 -0.66 -0.02 9.09 1.13 -1.25 -1.11 117.35 121.84 2kl8 s TYR 35 Ca 0.30 1.59 0.01 0.00 -1.41 0.00 0.00 57.07 57.56 2kl8 s TYR 35 Cb -0.00 0.24 0.01 0.00 -1.10 0.00 0.00 41.96 41.11 2kl8 s TYR 35 CO 0.14 -0.32 -0.02 -0.08 -2.51 0.00 0.00 175.55 172.76 2kl8 s THR 36 N 0.38 0.27 -0.56 -3.49 -1.32 -0.56 -4.97 115.64 105.38 2kl8 s THR 36 Ca -0.01 -0.04 -0.19 0.00 -1.21 0.00 0.00 61.69 60.25 2kl8 s THR 36 Cb -0.04 -0.30 0.08 0.00 -1.51 0.00 0.00 72.50 70.73 2kl8 s THR 36 CO -0.00 0.13 0.69 -0.76 -2.21 0.00 0.00 174.62 172.47 2kl8 s LEU 37 N 0.57 5.17 -0.31 9.08 2.01 -1.26 -2.04 118.68 131.91 2kl8 s LEU 37 Ca -0.06 -1.20 0.02 0.00 0.01 0.00 0.00 54.13 52.90 2kl8 s LEU 37 Cb -0.09 -2.37 0.07 0.00 0.01 0.00 0.00 46.19 43.82 2kl8 s LEU 37 CO -0.01 -1.04 -0.01 -0.62 1.01 0.00 0.00 176.35 175.68 2kl8 s ASP 38 N 3.26 4.71 0.00 2.29 -1.08 -0.94 -4.95 116.67 119.96 2kl8 s ASP 38 Ca 0.13 -1.67 0.00 0.00 -0.52 0.00 0.00 52.55 50.50 2kl8 s ASP 38 Cb -0.22 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 2kl8 s ASP 38 CO 0.09 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.09 2kl8 n GLY 39 N 4.43 1.46 0.27 2.66 0.00 -1.26 -2.14 105.19 110.61 2kl8 n GLY 39 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 4.05 0.00 -4.28 1.61 6.94 -1.26 -5.09 115.26 117.23 2kl8 n ASN 40 Ca 0.00 -1.37 -0.32 0.00 -0.02 0.00 0.00 54.58 52.86 2kl8 n ASN 40 Cb 0.00 -0.07 -0.16 0.00 -2.36 0.00 0.00 39.78 37.19 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 -0.37 3.45 -0.48 0.53 1.11 -0.91 -4.57 116.67 115.43 2kl8 s ASP 41 Ca 0.00 -0.46 -0.13 0.00 0.18 0.00 0.00 52.55 52.14 2kl8 s ASP 41 Cb 0.00 -1.46 0.10 0.00 1.07 0.00 0.00 42.92 42.63 2kl8 s ASP 41 CO 0.00 0.17 0.38 -0.22 1.18 0.00 0.00 175.17 176.68 2kl8 s LEU 42 N 0.31 5.69 -0.52 1.23 2.96 -0.01 -2.21 118.68 126.13 2kl8 s LEU 42 Ca -0.15 -1.62 -0.23 0.00 -0.22 0.00 0.00 54.13 51.91 2kl8 s LEU 42 Cb -0.17 -2.11 0.04 0.00 0.50 0.00 0.00 46.19 44.45 2kl8 s LEU 42 CO 0.07 -0.69 0.86 -1.61 -1.32 0.00 0.00 176.35 173.67 2kl8 s GLU 43 N 1.52 3.31 -0.32 1.98 0.41 -0.87 -0.68 118.70 124.07 2kl8 s GLU 43 Ca 0.04 -0.33 -0.04 0.00 -0.41 0.00 0.00 54.97 54.22 2kl8 s GLU 43 Cb -0.26 -4.04 0.04 0.00 -1.78 0.00 0.00 34.13 28.09 2kl8 s GLU 43 CO 0.03 -1.37 0.06 0.42 -0.49 0.00 0.00 175.26 173.91 2kl8 s ILE 44 N 3.61 3.45 -0.22 -1.63 1.01 0.62 -1.50 121.20 126.54 2kl8 s ILE 44 Ca 0.28 -1.22 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 2kl8 s ILE 44 Cb -0.13 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2kl8 s ILE 44 CO 0.19 -0.13 0.04 -0.60 0.00 0.00 0.00 174.94 174.43 2kl8 s ARG 45 N 1.34 3.65 -0.18 2.79 3.52 -0.27 0.06 118.95 129.87 2kl8 s ARG 45 Ca -0.03 -0.49 -0.06 0.00 -0.13 0.00 0.00 55.73 55.03 2kl8 s ARG 45 Cb -0.19 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2kl8 s ARG 45 CO 0.01 -0.07 0.01 0.42 -0.81 0.00 0.00 175.30 174.86 2kl8 s ILE 46 N 1.27 4.24 -0.07 4.11 1.01 -0.64 -1.87 121.20 129.26 2kl8 s ILE 46 Ca 0.04 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2kl8 s ILE 46 Cb -0.15 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.44 2kl8 s ILE 46 CO 0.02 0.45 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 2kl8 s THR 47 N 0.62 0.98 0.00 2.92 2.01 0.50 -1.56 115.64 121.11 2kl8 s THR 47 Ca 0.00 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2kl8 s THR 47 Cb -0.14 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2kl8 s THR 47 CO 0.02 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 2kl8 n GLY 48 N 4.04 1.31 3.56 4.40 0.00 -0.18 -1.27 105.19 117.04 2kl8 n GLY 48 Ca -0.22 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.09 3.50 0.26 1.61 -7.23 -1.26 -4.60 120.40 110.59 2kl8 s VAL 49 Ca 0.00 -0.65 -0.31 0.00 -1.81 0.00 0.00 61.98 59.21 2kl8 s VAL 49 Cb 0.00 -2.45 -0.12 0.00 0.56 0.00 0.00 36.38 34.37 2kl8 s VAL 49 CO 0.00 0.53 1.61 -0.81 -0.31 0.00 0.00 175.10 176.12 2kl8 n PRO 50 N 2.02 2.65 0.29 4.82 -0.04 -1.26 -4.71 135.00 138.76 2kl8 n PRO 50 Ca -0.17 0.95 0.15 0.00 -0.04 0.00 0.00 63.50 64.39 2kl8 n PRO 50 Cb 0.53 -2.73 0.90 0.00 -0.04 0.00 0.00 33.50 32.16 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 5.28 0.00 -0.40 0.54 4.11 -1.99 -0.81 114.58 121.31 2kl8 h GLU 51 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kl8 h GLU 51 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2kl8 h GLU 51 CO 0.83 0.00 0.25 -0.56 0.07 0.00 0.00 179.01 179.60 2kl8 h GLN 52 N 0.00 0.54 0.00 1.06 3.07 -2.04 -2.41 115.11 115.33 2kl8 h GLN 52 Ca 0.01 -0.04 -0.13 0.00 0.09 0.00 0.00 58.65 58.58 2kl8 h GLN 52 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.48 2kl8 h GLN 52 CO -0.00 0.37 -1.44 0.28 0.09 0.00 0.00 178.83 178.14 2kl8 n VAL 53 N -4.46 1.00 -0.32 1.86 0.31 -0.37 -4.23 118.33 112.12 2kl8 n VAL 53 Ca 0.03 -0.66 0.15 0.00 -0.01 0.00 0.00 64.34 63.85 2kl8 n VAL 53 Cb 0.07 -0.59 0.34 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.43 -0.70 5.55 1.12 -0.87 0.60 114.38 120.51 2kl8 h ARG 54 Ca -0.14 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.69 2kl8 h ARG 54 Cb 1.46 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 31.29 2kl8 h ARG 54 CO 0.03 0.28 0.40 1.57 -3.11 0.00 0.00 179.97 179.15 2kl8 h LYS 55 N 0.44 0.96 -0.29 0.20 2.10 -1.73 -0.51 116.57 117.75 2kl8 h LYS 55 Ca 0.59 -0.10 -0.04 0.00 -2.00 0.00 0.00 60.65 59.10 2kl8 h LYS 55 Cb 1.14 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 2kl8 h LYS 55 CO -0.52 0.70 0.01 0.93 -2.00 0.00 0.00 179.45 178.57 2kl8 h GLU 56 N 0.96 0.51 -0.69 0.07 4.39 -1.17 -1.66 114.58 116.98 2kl8 h GLU 56 Ca 0.25 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 59.84 2kl8 h GLU 56 Cb 0.00 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 2kl8 h GLU 56 CO -0.04 0.65 0.40 -0.07 -1.16 0.00 0.00 179.01 178.78 2kl8 h LEU 57 N 0.30 0.62 -0.28 1.33 3.38 -0.98 0.48 115.31 120.15 2kl8 h LEU 57 Ca 0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2kl8 h LEU 57 Cb 0.41 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kl8 h LEU 57 CO 0.01 0.41 0.09 0.00 0.09 0.00 0.00 178.44 179.04 2kl8 h ALA 58 N 1.34 0.37 -0.11 1.53 0.00 -0.97 -2.03 119.26 119.39 2kl8 h ALA 58 Ca 0.30 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2kl8 h ALA 58 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kl8 h ALA 58 CO -0.16 0.01 -0.58 -0.22 0.00 0.00 0.00 179.25 178.29 2kl8 h LYS 59 N 0.30 0.37 -0.54 0.00 3.64 -1.02 -1.06 116.57 118.24 2kl8 h LYS 59 Ca 0.09 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 2kl8 h LYS 59 Cb 0.25 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2kl8 h LYS 59 CO -0.00 0.85 0.12 1.49 -2.27 0.00 0.00 179.45 179.63 2kl8 h GLU 60 N 0.28 0.84 -0.69 1.90 4.81 -0.88 -1.76 114.58 119.07 2kl8 h GLU 60 Ca -0.00 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 2kl8 h GLU 60 Cb 1.10 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 2kl8 h GLU 60 CO 0.10 0.77 0.23 0.00 -0.73 0.00 0.00 179.01 179.38 2kl8 h ALA 61 N 1.32 1.11 -0.93 2.92 0.00 -0.99 -2.28 119.26 120.41 2kl8 h ALA 61 Ca 0.18 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2kl8 h ALA 61 Cb 0.32 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2kl8 h ALA 61 CO 0.00 0.62 0.60 0.93 0.00 0.00 0.00 179.25 181.40 2kl8 h GLU 62 N 1.02 1.09 -0.52 0.00 5.08 -0.53 -2.09 114.58 118.63 2kl8 h GLU 62 Ca 0.23 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2kl8 h GLU 62 Cb 0.26 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2kl8 h GLU 62 CO -0.01 0.72 0.30 -0.09 -1.00 0.00 0.00 179.01 178.93 2kl8 h ARG 63 N 1.13 0.71 -0.96 2.33 2.43 -0.94 -2.19 114.38 116.89 2kl8 h ARG 63 Ca 0.38 -0.07 0.20 0.00 -0.81 0.00 0.00 59.98 59.68 2kl8 h ARG 63 Cb 0.07 -0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 29.37 2kl8 h ARG 63 CO -0.14 0.54 0.55 -0.07 -1.51 0.00 0.00 179.97 179.33 2kl8 h LEU 64 N 0.69 0.66 0.50 3.80 3.38 -0.83 0.47 115.31 123.98 2kl8 h LEU 64 Ca 0.18 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2kl8 h LEU 64 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kl8 h LEU 64 CO -0.03 0.20 -0.24 0.00 0.09 0.00 0.00 178.44 178.46 2kl8 h ALA 65 N 1.65 -0.67 0.00 1.53 0.00 -1.11 -1.38 119.26 119.29 2kl8 h ALA 65 Ca 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2kl8 h ALA 65 Cb 0.93 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kl8 h ALA 65 CO -0.42 -0.73 -0.10 0.87 0.00 0.00 0.00 179.25 178.87 2kl8 h LYS 66 N -0.96 0.00 0.00 0.00 1.57 -0.79 0.37 116.57 116.77 2kl8 h LYS 66 Ca -0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2kl8 h LYS 66 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2kl8 h LYS 66 CO 0.11 0.10 -0.19 1.49 -0.57 0.00 0.00 179.45 180.39 2kl8 h GLU 67 N 0.00 0.00 -0.25 3.15 4.57 -0.09 -3.38 114.58 118.57 2kl8 h GLU 67 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kl8 h GLU 67 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2kl8 h GLU 67 CO 0.01 0.38 0.00 1.19 -1.18 0.00 0.00 179.01 179.41 2kl8 n PHE 68 N -4.67 0.32 -1.58 0.92 3.72 -0.52 -4.93 117.46 110.73 2kl8 n PHE 68 Ca -0.07 -0.16 -0.19 0.00 -0.05 0.00 0.00 57.45 56.98 2kl8 n PHE 68 Cb 0.24 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.83 -5.31 -4.89 4.37 3.02 0.13 -4.91 115.26 108.50 2kl8 n ASN 69 Ca 0.17 0.46 -0.30 0.00 -0.03 0.00 0.00 54.58 54.88 2kl8 n ASN 69 Cb 0.45 -4.49 -0.04 0.00 -0.61 0.00 0.00 39.78 35.09 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 -2.72 4.93 -0.21 2.41 -4.36 -1.06 -4.81 121.20 115.38 2kl8 s ILE 70 Ca 0.00 0.34 -0.22 0.00 -0.26 0.00 0.00 60.65 60.52 2kl8 s ILE 70 Cb 0.00 -3.69 -0.02 0.00 1.25 0.00 0.00 42.46 40.00 2kl8 s ILE 70 CO 0.00 -0.29 0.69 -0.89 0.24 0.00 0.00 174.94 174.69 2kl8 s THR 71 N -2.07 4.97 -0.06 8.37 2.01 0.72 -4.28 115.64 125.30 2kl8 s THR 71 Ca 0.47 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.81 2kl8 s THR 71 Cb -0.11 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 2kl8 s THR 71 CO 0.27 0.05 -0.20 0.54 -0.69 0.00 0.00 174.62 174.60 2kl8 s VAL 72 N 2.21 1.65 -0.03 3.82 0.11 -1.26 -0.63 120.40 126.27 2kl8 s VAL 72 Ca 0.30 -0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 58.50 2kl8 s VAL 72 Cb -0.16 -1.42 0.01 0.00 -1.53 0.00 0.00 36.38 33.28 2kl8 s VAL 72 CO 0.10 0.47 0.09 0.42 -3.33 0.00 0.00 175.10 172.84 2kl8 s THR 73 N 0.13 0.02 -0.04 5.04 -4.23 -0.97 -5.01 115.64 110.59 2kl8 s THR 73 Ca -0.08 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2kl8 s THR 73 Cb -0.14 -0.18 0.03 0.00 1.34 0.00 0.00 72.50 73.55 2kl8 s THR 73 CO 0.04 -0.09 -0.00 -0.72 -0.54 0.00 0.00 174.62 173.31 2kl8 s TYR 74 N -0.25 0.39 -0.24 3.99 -0.85 -1.25 -0.97 117.35 118.17 2kl8 s TYR 74 Ca -0.03 -0.03 -0.09 0.00 -0.52 0.00 0.00 57.07 56.40 2kl8 s TYR 74 Cb -0.02 -0.48 -0.04 0.00 0.38 0.00 0.00 41.96 41.80 2kl8 s TYR 74 CO 0.00 -0.16 0.11 0.99 -1.52 0.00 0.00 175.55 174.98 2kl8 s THR 75 N 1.13 4.89 -0.02 -3.49 2.01 -0.69 -4.91 115.64 114.56 2kl8 s THR 75 Ca -0.08 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.00 2kl8 s THR 75 Cb -0.13 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 2kl8 s THR 75 CO -0.02 0.35 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.42 2kl8 s ILE 76 N 1.18 1.74 0.26 1.82 1.01 -1.26 -1.07 121.20 124.88 2kl8 s ILE 76 Ca 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 2kl8 s ILE 76 Cb -0.14 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2kl8 s ILE 76 CO 0.05 0.49 0.27 0.00 0.00 0.00 0.00 174.94 175.75 2kl8 s ARG 77 N -0.47 1.49 0.23 2.79 1.70 -0.04 -5.01 118.95 119.64 2kl8 s ARG 77 Ca 0.07 -1.67 -0.18 0.00 -0.47 0.00 0.00 55.73 53.48 2kl8 s ARG 77 Cb -0.09 0.34 0.02 0.00 -0.57 0.00 0.00 34.95 34.65 2kl8 s ARG 77 CO -0.00 -0.55 0.59 -0.48 -1.08 0.00 0.00 175.30 173.78 2kl8 s LEU 78 N -3.19 -0.05 -1.11 -1.89 0.05 -1.26 -0.51 118.68 110.71 2kl8 s LEU 78 Ca 0.35 -0.58 -0.22 0.00 0.05 0.00 0.00 54.13 53.73 2kl8 s LEU 78 Cb 0.04 2.32 0.01 0.00 -2.05 0.00 0.00 46.19 46.51 2kl8 s LEU 78 CO 0.16 -1.18 1.73 -1.83 -0.55 0.00 0.00 176.35 174.69 2kl8 s GLU 79 N -3.91 3.27 -0.37 1.48 1.03 -1.26 -4.93 118.70 114.01 2kl8 s GLU 79 Ca 0.12 -1.21 -0.28 0.00 0.03 0.00 0.00 54.97 53.63 2kl8 s GLU 79 Cb -0.03 -5.33 -0.07 0.00 -0.80 0.00 0.00 34.13 27.90 2kl8 s GLU 79 CO 0.02 -2.82 2.32 1.58 -1.33 0.00 0.00 175.26 175.03 2kl8 n HIS 80 N 10.90 1.65 -1.56 4.83 -0.00 -1.26 -4.82 115.22 124.97 2kl8 n HIS 80 Ca 0.41 0.04 -0.49 0.00 0.46 0.00 0.00 57.72 58.15 2kl8 n HIS 80 Cb 0.48 -2.65 -0.06 0.00 -0.12 0.00 0.00 29.99 27.64 2kl8 n HIS 80 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kl8 n HIS 81 N 13.08 1.91 -3.81 1.57 -0.00 -1.26 -4.98 115.22 121.72 2kl8 n HIS 81 Ca 0.36 0.14 -0.19 0.00 0.46 0.00 0.00 57.72 58.49 2kl8 n HIS 81 Cb 0.44 -2.60 -0.00 0.00 -0.12 0.00 0.00 29.99 27.71 2kl8 n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kl8 n HIS 82 N 8.99 -0.78 -3.64 1.57 8.25 -1.26 -5.17 115.22 123.19 2kl8 n HIS 82 Ca 0.33 -1.68 -0.10 0.00 -0.26 0.00 0.00 57.72 56.01 2kl8 n HIS 82 Cb 0.28 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 2kl8 n HIS 82 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kl8 s HIS 83 N -1.98 -0.61 0.34 4.41 -3.43 -1.26 -5.16 115.29 107.61 2kl8 s HIS 83 Ca 0.22 1.45 -0.26 0.00 -0.80 0.00 0.00 55.06 55.67 2kl8 s HIS 83 Cb -0.02 0.35 -0.10 0.00 -1.43 0.00 0.00 32.58 31.39 2kl8 s HIS 83 CO 0.14 -0.30 0.98 -1.58 -2.00 0.00 0.00 174.74 171.98 2kl8 s HIS 84 N 0.44 3.57 -2.00 0.38 5.04 -1.26 -5.36 115.29 116.10 2kl8 s HIS 84 Ca 0.01 1.74 0.19 0.00 -1.54 0.00 0.00 55.06 55.46 2kl8 s HIS 84 Cb -0.05 -2.99 1.14 0.00 0.04 0.00 0.00 32.58 30.73 2kl8 s HIS 84 CO -0.06 -0.05 1.54 0.72 -2.34 0.00 0.00 174.74 174.56