#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 3.44 -0.24 2.12 2.02 -1.26 -1.72 118.70 123.06 2kl8 s GLU 2 Ca 0.00 -0.35 -0.03 0.00 0.02 0.00 0.00 54.97 54.61 2kl8 s GLU 2 Cb 0.00 -3.08 0.12 0.00 0.10 0.00 0.00 34.13 31.27 2kl8 s GLU 2 CO 0.00 0.66 0.31 1.41 0.02 0.00 0.00 175.26 177.66 2kl8 s MET 3 N -2.07 0.29 -0.43 1.61 1.75 -0.64 -4.61 119.30 115.20 2kl8 s MET 3 Ca 0.29 0.30 -0.20 0.00 -1.25 0.00 0.00 55.69 54.83 2kl8 s MET 3 Cb -0.13 -0.79 0.02 0.00 2.84 0.00 0.00 34.83 36.78 2kl8 s MET 3 CO 0.21 -0.72 0.59 -0.51 -0.65 0.00 0.00 175.02 173.95 2kl8 s ASP 4 N 2.43 6.29 -0.23 1.11 1.11 0.20 -1.72 116.67 125.87 2kl8 s ASP 4 Ca 0.10 -0.41 -0.01 0.00 0.18 0.00 0.00 52.55 52.41 2kl8 s ASP 4 Cb -0.15 -2.30 0.02 0.00 1.07 0.00 0.00 42.92 41.56 2kl8 s ASP 4 CO -0.17 -0.73 -0.08 -0.63 1.18 0.00 0.00 175.17 174.74 2kl8 s ILE 5 N 2.65 2.80 -0.18 0.77 1.01 0.54 -0.34 121.20 128.46 2kl8 s ILE 5 Ca 0.20 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 2kl8 s ILE 5 Cb -0.15 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 2kl8 s ILE 5 CO 0.18 0.30 0.03 0.00 0.00 0.00 0.00 174.94 175.45 2kl8 s ARG 6 N 1.34 3.83 -0.21 2.79 1.70 -0.88 -0.72 118.95 126.81 2kl8 s ARG 6 Ca 0.02 -0.42 -0.07 0.00 -0.47 0.00 0.00 55.73 54.79 2kl8 s ARG 6 Cb -0.16 -3.13 -0.04 0.00 -0.57 0.00 0.00 34.95 31.05 2kl8 s ARG 6 CO -0.06 0.20 0.06 -0.06 -1.08 0.00 0.00 175.30 174.36 2kl8 s PHE 7 N 0.54 3.16 -0.18 5.89 0.40 0.12 -2.28 117.98 125.64 2kl8 s PHE 7 Ca 0.01 -0.14 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2kl8 s PHE 7 Cb -0.13 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.27 2kl8 s PHE 7 CO 0.02 -0.06 -0.15 0.50 0.70 0.00 0.00 175.22 176.22 2kl8 s ARG 8 N 0.86 3.15 0.00 0.44 3.52 0.46 -0.56 118.95 126.82 2kl8 s ARG 8 Ca 0.03 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2kl8 s ARG 8 Cb -0.14 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 2kl8 s ARG 8 CO 0.02 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2kl8 n GLY 9 N 4.46 1.00 0.00 8.12 0.00 0.39 -1.53 105.19 117.64 2kl8 n GLY 9 Ca -0.20 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.67 -4.60 1.61 8.00 -1.26 -4.74 116.55 116.23 2kl8 n ASP 10 Ca 0.00 -0.48 -0.43 0.00 0.71 0.00 0.00 54.79 54.60 2kl8 n ASP 10 Cb 0.00 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2kl8 n ASP 10 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kl8 s ASP 11 N -3.09 5.75 0.15 -2.24 1.01 -1.26 -4.90 116.67 112.09 2kl8 s ASP 11 Ca 0.09 1.38 -0.26 0.00 0.71 0.00 0.00 52.55 54.48 2kl8 s ASP 11 Cb 0.17 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.58 2kl8 s ASP 11 CO 0.76 -1.81 1.59 0.25 0.21 0.00 0.00 175.17 176.18 2kl8 h LEU 12 N 14.18 -1.17 -1.96 1.23 5.85 -2.03 -1.81 115.31 129.60 2kl8 h LEU 12 Ca -0.35 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2kl8 h LEU 12 Cb 1.18 0.51 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 2kl8 h LEU 12 CO 1.03 -0.36 -0.10 1.05 -0.34 0.00 0.00 178.44 179.72 2kl8 h GLU 13 N -0.35 0.00 -0.88 1.25 4.11 -2.01 -2.25 114.58 114.46 2kl8 h GLU 13 Ca 0.13 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.67 2kl8 h GLU 13 Cb 0.57 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 2kl8 h GLU 13 CO -0.47 0.10 0.57 0.00 0.07 0.00 0.00 179.01 179.28 2kl8 h ALA 14 N 1.90 1.71 -0.18 1.06 0.00 -1.72 0.75 119.26 122.77 2kl8 h ALA 14 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2kl8 h ALA 14 Cb 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2kl8 h ALA 14 CO 0.01 0.09 -0.17 0.35 0.00 0.00 0.00 179.25 179.54 2kl8 h PHE 15 N 0.81 -0.44 0.23 0.00 3.57 -1.47 -2.20 116.94 117.44 2kl8 h PHE 15 Ca 0.42 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 2kl8 h PHE 15 Cb 0.50 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2kl8 h PHE 15 CO -0.00 -0.24 -0.11 1.49 -2.23 0.00 0.00 178.31 177.22 2kl8 h GLU 16 N -0.19 -0.30 -0.47 1.11 4.81 -1.35 -2.61 114.58 115.59 2kl8 h GLU 16 Ca 0.11 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2kl8 h GLU 16 Cb 0.36 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2kl8 h GLU 16 CO -0.29 0.07 0.18 0.87 -0.73 0.00 0.00 179.01 179.11 2kl8 h LYS 17 N -0.78 0.34 0.23 1.92 1.79 -0.92 0.15 116.57 119.31 2kl8 h LYS 17 Ca -0.03 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2kl8 h LYS 17 Cb 0.51 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2kl8 h LYS 17 CO 0.05 0.23 -0.11 0.00 -1.08 0.00 0.00 179.45 178.54 2kl8 h ALA 18 N 1.30 -0.30 -0.96 3.86 0.00 -1.52 -3.04 119.26 118.59 2kl8 h ALA 18 Ca 0.22 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2kl8 h ALA 18 Cb 0.21 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2kl8 h ALA 18 CO -0.21 -0.41 0.62 1.25 0.00 0.00 0.00 179.25 180.50 2kl8 h LEU 19 N -0.83 0.92 -0.85 0.00 5.85 -1.35 -1.80 115.31 117.24 2kl8 h LEU 19 Ca -0.03 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2kl8 h LEU 19 Cb 0.51 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2kl8 h LEU 19 CO 0.05 0.54 0.32 0.50 -0.34 0.00 0.00 178.44 179.50 2kl8 h LYS 20 N 1.01 1.16 -0.38 1.25 1.63 -0.77 -0.91 116.57 119.56 2kl8 h LYS 20 Ca 0.45 -0.20 -0.12 0.00 -0.85 0.00 0.00 60.65 59.92 2kl8 h LYS 20 Cb 0.37 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2kl8 h LYS 20 CO -0.21 0.94 -0.24 0.93 -3.45 0.00 0.00 179.45 177.42 2kl8 h GLU 21 N 1.13 0.83 -0.24 1.90 4.39 -1.25 0.17 114.58 121.52 2kl8 h GLU 21 Ca 0.26 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2kl8 h GLU 21 Cb 0.20 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2kl8 h GLU 21 CO -0.02 1.02 0.16 0.52 -1.16 0.00 0.00 179.01 179.53 2kl8 h MET 22 N 0.63 0.32 -0.39 2.33 2.86 -1.06 -1.00 114.93 118.62 2kl8 h MET 22 Ca 0.08 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2kl8 h MET 22 Cb 0.80 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2kl8 h MET 22 CO 0.07 0.21 0.10 0.82 1.06 0.00 0.00 176.91 179.17 2kl8 h ILE 23 N 0.33 1.22 -0.48 -1.22 2.04 -1.16 -1.17 117.51 117.07 2kl8 h ILE 23 Ca 0.09 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.28 2kl8 h ILE 23 Cb -0.04 0.98 -0.10 0.00 -0.74 0.00 0.00 36.82 36.93 2kl8 h ILE 23 CO -0.02 0.26 -0.16 -0.09 0.00 0.00 0.00 178.15 178.15 2kl8 h ARG 24 N 0.48 -0.04 -0.28 2.37 2.43 -0.34 0.18 114.38 119.18 2kl8 h ARG 24 Ca 0.12 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 2kl8 h ARG 24 Cb 0.30 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2kl8 h ARG 24 CO 0.00 -0.03 -0.45 1.96 -1.51 0.00 0.00 179.97 179.94 2kl8 h GLN 25 N -0.05 0.79 -0.33 0.20 7.50 -1.17 -3.23 115.11 118.83 2kl8 h GLN 25 Ca 0.23 -0.48 -0.02 0.00 0.50 0.00 0.00 58.65 58.88 2kl8 h GLN 25 Cb 0.40 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.96 2kl8 h GLN 25 CO -0.52 1.11 0.12 0.00 -1.50 0.00 0.00 178.83 178.04 2kl8 h ALA 26 N 0.67 1.60 0.00 3.87 0.00 -0.51 -2.08 119.26 122.82 2kl8 h ALA 26 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kl8 h ALA 26 Cb 1.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kl8 h ALA 26 CO 0.10 0.31 -0.06 0.00 0.00 0.00 0.00 179.25 179.60 2kl8 h ARG 27 N 0.46 0.00 0.00 0.00 2.47 -0.69 0.25 114.38 116.87 2kl8 h ARG 27 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2kl8 h ARG 27 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2kl8 h ARG 27 CO -0.01 0.06 0.00 1.63 0.56 0.00 0.00 179.97 182.21 2kl8 n LYS 28 N -4.30 0.17 -2.63 0.04 5.02 -0.78 -4.79 118.16 110.89 2kl8 n LYS 28 Ca -0.03 0.39 -0.08 0.00 -2.02 0.00 0.00 58.31 56.58 2kl8 n LYS 28 Cb 0.14 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 33.32 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 -2.13 0.27 -0.92 2.13 3.72 0.08 -5.03 117.46 115.58 2kl8 n PHE 29 Ca 0.02 -0.59 -0.22 0.00 -0.05 0.00 0.00 57.45 56.61 2kl8 n PHE 29 Cb 0.23 -0.08 0.09 0.00 -0.94 0.00 0.00 39.48 38.77 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 -2.62 5.34 -2.67 4.37 0.00 -1.26 -4.96 120.51 118.72 2kl8 n ALA 30 Ca -0.05 -2.37 -0.42 0.00 0.00 0.00 0.00 53.44 50.61 2kl8 n ALA 30 Cb 0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.74 2.02 -0.29 0.00 0.00 -1.23 -4.73 107.32 102.36 2kl8 s GLY 31 Ca 0.45 0.08 -0.22 0.00 0.00 0.00 0.00 44.72 45.03 2kl8 s GLY 31 CO 0.03 1.81 0.73 -1.59 0.00 0.00 0.00 173.10 174.08 2kl8 s THR 32 N 2.42 4.86 -0.11 0.90 2.01 0.40 -4.76 115.64 121.35 2kl8 s THR 32 Ca 0.40 1.15 -0.04 0.00 0.31 0.00 0.00 61.69 63.51 2kl8 s THR 32 Cb -0.16 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2kl8 s THR 32 CO 0.11 -0.16 0.04 -0.69 -0.69 0.00 0.00 174.62 173.23 2kl8 s VAL 33 N 2.79 4.61 0.22 3.82 1.01 -1.26 -1.31 120.40 130.28 2kl8 s VAL 33 Ca 0.30 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 2kl8 s VAL 33 Cb -0.15 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2kl8 s VAL 33 CO 0.11 0.58 0.46 0.28 0.00 0.00 0.00 175.10 176.52 2kl8 s THR 34 N -0.61 0.02 0.11 3.92 -1.32 0.34 -5.01 115.64 113.08 2kl8 s THR 34 Ca 0.11 -1.23 -0.20 0.00 -1.21 0.00 0.00 61.69 59.16 2kl8 s THR 34 Cb -0.12 -1.96 0.05 0.00 -1.51 0.00 0.00 72.50 68.96 2kl8 s THR 34 CO 0.02 -0.09 0.49 -0.72 -2.21 0.00 0.00 174.62 172.11 2kl8 s TYR 35 N -3.97 -0.36 -0.03 9.09 -0.85 -1.26 0.33 117.35 120.29 2kl8 s TYR 35 Ca 0.18 0.20 0.02 0.00 -0.52 0.00 0.00 57.07 56.94 2kl8 s TYR 35 Cb -0.00 0.36 0.01 0.00 0.38 0.00 0.00 41.96 42.71 2kl8 s TYR 35 CO 0.04 -0.72 -0.08 -0.08 -1.52 0.00 0.00 175.55 173.20 2kl8 s THR 36 N -3.32 0.73 -0.09 -3.49 -1.32 -0.39 -4.99 115.64 102.77 2kl8 s THR 36 Ca -0.00 -0.29 -0.11 0.00 -1.21 0.00 0.00 61.69 60.08 2kl8 s THR 36 Cb 0.00 -0.67 -0.05 0.00 -1.51 0.00 0.00 72.50 70.27 2kl8 s THR 36 CO -0.09 0.24 0.25 -0.76 -2.21 0.00 0.00 174.62 172.06 2kl8 s LEU 37 N 0.43 4.39 -0.36 9.08 2.01 -1.26 -1.95 118.68 131.03 2kl8 s LEU 37 Ca -0.07 0.63 0.02 0.00 0.01 0.00 0.00 54.13 54.72 2kl8 s LEU 37 Cb -0.11 -2.28 0.15 0.00 0.01 0.00 0.00 46.19 43.96 2kl8 s LEU 37 CO 0.01 0.33 0.29 -0.62 1.01 0.00 0.00 176.35 177.37 2kl8 s ASP 38 N -0.81 2.13 0.62 2.29 2.15 0.03 -5.00 116.67 118.08 2kl8 s ASP 38 Ca 0.18 -1.97 0.00 0.00 0.43 0.00 0.00 52.55 51.18 2kl8 s ASP 38 Cb -0.14 0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 2kl8 s ASP 38 CO 0.07 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2kl8 n GLY 39 N 4.06 0.90 0.46 2.66 0.00 -1.26 -1.13 105.19 110.89 2kl8 n GLY 39 Ca 0.12 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.60 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 7.42 2.80 -4.62 1.61 0.23 -1.26 -5.00 115.26 116.44 2kl8 n ASN 40 Ca 0.00 -2.29 -0.34 0.00 -0.53 0.00 0.00 54.58 51.41 2kl8 n ASN 40 Cb 0.00 -0.25 -0.10 0.00 -2.08 0.00 0.00 39.78 37.35 2kl8 n ASN 40 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2kl8 s ASP 41 N -1.35 5.55 -0.40 0.53 2.15 -0.28 -0.46 116.67 122.40 2kl8 s ASP 41 Ca 0.21 0.07 0.04 0.00 0.43 0.00 0.00 52.55 53.30 2kl8 s ASP 41 Cb 0.14 -1.94 0.11 0.00 -0.30 0.00 0.00 42.92 40.94 2kl8 s ASP 41 CO 0.09 0.18 0.13 -0.22 -0.17 0.00 0.00 175.17 175.18 2kl8 s LEU 42 N 0.32 4.47 -0.47 -1.34 2.96 0.28 -0.79 118.68 124.11 2kl8 s LEU 42 Ca 0.03 -2.44 -0.24 0.00 -0.22 0.00 0.00 54.13 51.25 2kl8 s LEU 42 Cb -0.12 -1.59 0.03 0.00 0.50 0.00 0.00 46.19 45.00 2kl8 s LEU 42 CO 0.00 -0.33 0.83 -0.70 -1.32 0.00 0.00 176.35 174.84 2kl8 s GLU 43 N 0.50 3.41 -0.33 1.98 2.12 -0.82 -0.70 118.70 124.86 2kl8 s GLU 43 Ca 0.13 -0.11 -0.12 0.00 0.36 0.00 0.00 54.97 55.23 2kl8 s GLU 43 Cb -0.21 -3.96 -0.01 0.00 0.26 0.00 0.00 34.13 30.20 2kl8 s GLU 43 CO -0.06 -1.21 0.21 0.42 -0.54 0.00 0.00 175.26 174.08 2kl8 s ILE 44 N 3.47 5.01 -0.25 -3.70 1.01 0.10 -1.26 121.20 125.58 2kl8 s ILE 44 Ca 0.31 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 2kl8 s ILE 44 Cb -0.12 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2kl8 s ILE 44 CO 0.22 0.01 0.38 -0.60 0.00 0.00 0.00 174.94 174.95 2kl8 s ARG 45 N 1.68 4.05 -0.22 2.79 6.06 0.15 -0.34 118.95 133.12 2kl8 s ARG 45 Ca 0.05 0.07 0.02 0.00 -2.50 0.00 0.00 55.73 53.38 2kl8 s ARG 45 Cb -0.17 -3.63 0.05 0.00 0.06 0.00 0.00 34.95 31.26 2kl8 s ARG 45 CO 0.09 -0.22 -0.13 0.42 -2.50 0.00 0.00 175.30 172.96 2kl8 s ILE 46 N 1.89 2.00 -0.14 4.11 1.01 -0.70 -0.50 121.20 128.87 2kl8 s ILE 46 Ca 0.16 -1.30 -0.05 0.00 0.00 0.00 0.00 60.65 59.45 2kl8 s ILE 46 Cb -0.15 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2kl8 s ILE 46 CO 0.09 0.16 0.03 -0.89 0.00 0.00 0.00 174.94 174.33 2kl8 s THR 47 N 1.23 4.53 0.00 2.92 2.01 -0.43 -1.62 115.64 124.28 2kl8 s THR 47 Ca -0.04 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2kl8 s THR 47 Cb -0.17 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2kl8 s THR 47 CO -0.08 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2kl8 n GLY 48 N 3.00 1.28 3.74 4.40 0.00 -0.70 -0.45 105.19 116.45 2kl8 n GLY 48 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.01 2.45 0.49 1.61 -7.23 -0.99 -4.40 120.40 110.32 2kl8 s VAL 49 Ca 0.00 0.36 -0.22 0.00 -1.81 0.00 0.00 61.98 60.31 2kl8 s VAL 49 Cb 0.00 -3.23 -0.07 0.00 0.56 0.00 0.00 36.38 33.64 2kl8 s VAL 49 CO 0.00 0.05 1.16 -2.84 -0.31 0.00 0.00 175.10 173.16 2kl8 s PRO 50 N -0.06 3.59 0.19 4.82 0.02 -1.26 0.04 135.00 142.34 2kl8 s PRO 50 Ca 0.63 1.74 -0.18 0.00 0.02 0.00 0.00 61.00 63.20 2kl8 s PRO 50 Cb -0.44 -2.26 0.16 0.00 0.02 0.00 0.00 34.50 31.97 2kl8 s PRO 50 CO 0.42 -0.68 1.60 1.49 -0.33 0.00 0.00 177.00 179.50 2kl8 h GLU 51 N 1.73 -0.12 -0.11 5.54 4.81 -1.94 -1.04 114.58 123.46 2kl8 h GLU 51 Ca -0.50 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2kl8 h GLU 51 Cb 1.25 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2kl8 h GLU 51 CO 0.59 -0.08 0.08 -0.56 -0.73 0.00 0.00 179.01 178.31 2kl8 h GLN 52 N -0.12 0.00 0.00 1.92 3.07 -2.04 -1.48 115.11 116.45 2kl8 h GLN 52 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.99 2kl8 h GLN 52 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2kl8 h GLN 52 CO -0.65 0.00 0.00 0.28 0.09 0.00 0.00 178.83 178.55 2kl8 h VAL 53 N 0.00 0.00 -1.07 1.86 2.07 -1.56 -3.26 116.25 114.28 2kl8 h VAL 53 Ca 0.05 -0.59 0.31 0.00 0.82 0.00 0.00 66.70 67.28 2kl8 h VAL 53 Cb 0.20 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 31.43 2kl8 h VAL 53 CO -0.00 0.00 0.66 -0.09 0.02 0.00 0.00 177.57 178.16 2kl8 h ARG 54 N 0.00 0.35 0.35 1.57 9.65 -1.09 -1.56 114.38 123.64 2kl8 h ARG 54 Ca 0.00 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 2kl8 h ARG 54 Cb 0.78 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 2kl8 h ARG 54 CO 0.00 0.23 -0.17 0.87 2.80 0.00 0.00 179.97 183.70 2kl8 h LYS 55 N 0.36 -0.45 -0.53 0.20 1.57 -1.76 -2.68 116.57 113.28 2kl8 h LYS 55 Ca 0.68 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.43 2kl8 h LYS 55 Cb 1.69 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 34.08 2kl8 h LYS 55 CO -0.43 -0.15 0.09 0.93 -0.57 0.00 0.00 179.45 179.32 2kl8 h GLU 56 N -0.76 0.84 -0.49 3.15 4.39 -1.64 -2.16 114.58 117.91 2kl8 h GLU 56 Ca -0.05 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2kl8 h GLU 56 Cb 0.51 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2kl8 h GLU 56 CO 0.08 0.78 0.31 -0.07 -1.16 0.00 0.00 179.01 178.95 2kl8 h LEU 57 N 0.80 0.57 -0.33 1.33 3.38 -1.34 0.12 115.31 119.83 2kl8 h LEU 57 Ca 0.17 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2kl8 h LEU 57 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2kl8 h LEU 57 CO 0.01 0.43 0.11 0.00 0.09 0.00 0.00 178.44 179.08 2kl8 h ALA 58 N 1.16 0.44 -0.13 1.53 0.00 -1.25 -0.11 119.26 120.90 2kl8 h ALA 58 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2kl8 h ALA 58 Cb -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kl8 h ALA 58 CO -0.04 0.06 -0.14 -0.22 0.00 0.00 0.00 179.25 178.92 2kl8 h LYS 59 N 0.39 0.20 -0.03 0.00 3.64 -1.20 -2.61 116.57 116.97 2kl8 h LYS 59 Ca 0.11 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2kl8 h LYS 59 Cb 0.23 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2kl8 h LYS 59 CO -0.01 0.35 -0.10 1.49 -2.27 0.00 0.00 179.45 178.91 2kl8 h GLU 60 N 0.19 0.12 -0.83 1.90 4.57 -0.48 -3.18 114.58 116.87 2kl8 h GLU 60 Ca 0.04 -0.09 0.10 0.00 -1.18 0.00 0.00 59.36 58.23 2kl8 h GLU 60 Cb 0.37 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.90 2kl8 h GLU 60 CO 0.02 0.72 0.47 0.00 -1.18 0.00 0.00 179.01 179.05 2kl8 h ALA 61 N 0.40 1.20 -0.25 2.92 0.00 -0.88 -0.13 119.26 122.52 2kl8 h ALA 61 Ca -0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2kl8 h ALA 61 Cb 0.74 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2kl8 h ALA 61 CO 0.02 0.08 0.05 0.93 0.00 0.00 0.00 179.25 180.33 2kl8 h GLU 62 N 0.77 0.15 -0.57 0.00 4.39 -1.56 0.26 114.58 118.02 2kl8 h GLU 62 Ca 0.41 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.06 2kl8 h GLU 62 Cb 0.41 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2kl8 h GLU 62 CO -0.26 0.10 0.19 -0.09 -1.16 0.00 0.00 179.01 177.78 2kl8 h ARG 63 N 0.15 0.85 -0.50 2.33 1.12 -1.31 -0.28 114.38 116.75 2kl8 h ARG 63 Ca 0.11 -0.15 -0.03 0.00 -1.11 0.00 0.00 59.98 58.80 2kl8 h ARG 63 Cb 0.11 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 29.91 2kl8 h ARG 63 CO -0.15 0.73 0.18 -0.07 -3.11 0.00 0.00 179.97 177.55 2kl8 h LEU 64 N 0.83 0.71 0.20 3.80 3.38 -0.56 -1.72 115.31 121.95 2kl8 h LEU 64 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kl8 h LEU 64 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kl8 h LEU 64 CO -0.01 0.71 -0.10 0.00 0.09 0.00 0.00 178.44 179.13 2kl8 h ALA 65 N 1.03 -0.27 -0.06 1.53 0.00 -0.58 -3.27 119.26 117.63 2kl8 h ALA 65 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kl8 h ALA 65 Cb 0.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kl8 h ALA 65 CO -0.01 -0.40 -0.09 0.87 0.00 0.00 0.00 179.25 179.63 2kl8 h LYS 66 N -0.78 0.09 -0.99 0.00 1.57 -1.14 0.16 116.57 115.48 2kl8 h LYS 66 Ca -0.03 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.88 2kl8 h LYS 66 Cb 0.51 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 2kl8 h LYS 66 CO 0.05 0.18 0.62 1.49 -0.57 0.00 0.00 179.45 181.22 2kl8 h GLU 67 N 0.09 0.86 -0.27 3.15 4.57 -1.36 -2.25 114.58 119.36 2kl8 h GLU 67 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2kl8 h GLU 67 Cb 0.21 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2kl8 h GLU 67 CO 0.01 0.57 0.00 1.19 -1.18 0.00 0.00 179.01 179.60 2kl8 n PHE 68 N -4.65 0.50 -1.91 0.92 3.72 -0.72 -4.97 117.46 110.35 2kl8 n PHE 68 Ca 0.20 -0.60 -0.21 0.00 -0.05 0.00 0.00 57.45 56.79 2kl8 n PHE 68 Cb 0.44 -0.10 -0.06 0.00 -0.94 0.00 0.00 39.48 38.82 2kl8 n PHE 68 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kl8 n ASN 69 N 0.09 -5.63 -4.97 4.37 5.15 0.37 -4.98 115.26 109.66 2kl8 n ASN 69 Ca 0.13 0.31 -0.21 0.00 -0.60 0.00 0.00 54.58 54.21 2kl8 n ASN 69 Cb 0.52 -4.86 0.04 0.00 -0.53 0.00 0.00 39.78 34.95 2kl8 n ASN 69 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2kl8 s ILE 70 N -2.87 2.66 0.12 -1.44 -4.36 -0.19 -4.95 121.20 110.18 2kl8 s ILE 70 Ca 0.00 -0.68 -0.07 0.00 -0.26 0.00 0.00 60.65 59.65 2kl8 s ILE 70 Cb 0.00 -2.99 -0.06 0.00 1.25 0.00 0.00 42.46 40.66 2kl8 s ILE 70 CO 0.00 0.00 0.39 -0.89 0.24 0.00 0.00 174.94 174.68 2kl8 s THR 71 N -2.76 5.13 -0.10 8.37 2.01 -0.58 -4.37 115.64 123.34 2kl8 s THR 71 Ca 0.57 0.20 -0.06 0.00 0.31 0.00 0.00 61.69 62.71 2kl8 s THR 71 Cb -0.10 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.82 2kl8 s THR 71 CO 0.38 0.12 0.25 0.54 -0.69 0.00 0.00 174.62 175.22 2kl8 s VAL 72 N -1.58 -0.03 0.24 3.82 0.11 -1.26 -0.41 120.40 121.31 2kl8 s VAL 72 Ca 0.38 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 2kl8 s VAL 72 Cb -0.13 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 2kl8 s VAL 72 CO 0.22 0.04 0.04 0.42 -3.33 0.00 0.00 175.10 172.49 2kl8 s THR 73 N 0.90 0.81 0.06 5.04 -4.23 -0.97 -5.00 115.64 112.25 2kl8 s THR 73 Ca -0.06 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.51 2kl8 s THR 73 Cb -0.08 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 2kl8 s THR 73 CO -0.06 -0.19 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.33 2kl8 s TYR 74 N -3.57 1.74 -0.04 3.99 2.02 -1.26 -2.07 117.35 118.16 2kl8 s TYR 74 Ca 0.32 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.62 2kl8 s TYR 74 Cb 0.07 -1.02 0.03 0.00 -0.40 0.00 0.00 41.96 40.64 2kl8 s TYR 74 CO 0.11 0.11 0.06 0.99 -1.57 0.00 0.00 175.55 175.25 2kl8 s THR 75 N -0.90 -0.10 -0.04 -0.71 2.01 0.54 -5.01 115.64 111.44 2kl8 s THR 75 Ca 0.06 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.45 2kl8 s THR 75 Cb -0.09 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.30 2kl8 s THR 75 CO 0.02 0.15 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.42 2kl8 s ILE 76 N 1.87 0.56 -0.86 1.82 1.01 -1.26 -0.63 121.20 123.71 2kl8 s ILE 76 Ca 0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 2kl8 s ILE 76 Cb -0.12 -0.56 0.07 0.00 0.01 0.00 0.00 42.46 41.86 2kl8 s ILE 76 CO -0.03 0.21 1.24 -0.13 0.00 0.00 0.00 174.94 176.24 2kl8 s ARG 77 N 0.64 3.40 -0.26 2.79 0.52 -1.26 -5.00 118.95 119.78 2kl8 s ARG 77 Ca -0.09 -0.97 -0.05 0.00 -0.52 0.00 0.00 55.73 54.10 2kl8 s ARG 77 Cb -0.12 -4.75 -0.00 0.00 0.52 0.00 0.00 34.95 30.60 2kl8 s ARG 77 CO 0.00 -2.03 0.02 -1.17 0.02 0.00 0.00 175.30 172.15 2kl8 s LEU 78 N 4.52 3.37 -0.14 2.53 1.98 -1.26 -4.80 118.68 124.89 2kl8 s LEU 78 Ca 0.36 -0.51 -0.16 0.00 -2.89 0.00 0.00 54.13 50.92 2kl8 s LEU 78 Cb -0.06 -1.82 -0.04 0.00 0.66 0.00 0.00 46.19 44.92 2kl8 s LEU 78 CO 0.00 -0.09 0.40 -0.70 -1.89 0.00 0.00 176.35 174.07 2kl8 s GLU 79 N 1.50 4.31 -0.03 1.98 2.12 -1.26 -5.08 118.70 122.23 2kl8 s GLU 79 Ca 0.04 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.69 2kl8 s GLU 79 Cb -0.16 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.81 2kl8 s GLU 79 CO 0.00 0.19 -0.06 -3.38 -0.54 0.00 0.00 175.26 171.47 2kl8 s HIS 80 N 0.56 0.71 0.24 5.30 -3.43 -1.26 -5.14 115.29 112.28 2kl8 s HIS 80 Ca 0.22 -0.17 -0.30 0.00 -0.80 0.00 0.00 55.06 54.01 2kl8 s HIS 80 Cb -0.14 -0.56 -0.09 0.00 -1.43 0.00 0.00 32.58 30.36 2kl8 s HIS 80 CO 0.08 -0.11 1.14 -1.58 -2.00 0.00 0.00 174.74 172.27 2kl8 s HIS 81 N 0.43 3.50 -1.02 0.38 2.46 -1.26 -4.92 115.29 114.86 2kl8 s HIS 81 Ca -0.06 1.59 -0.24 0.00 0.47 0.00 0.00 55.06 56.82 2kl8 s HIS 81 Cb -0.10 -3.36 -0.06 0.00 -0.13 0.00 0.00 32.58 28.94 2kl8 s HIS 81 CO 0.00 -0.85 1.93 -1.01 -2.47 0.00 0.00 174.74 172.35 2kl8 s HIS 82 N -0.72 1.88 -1.22 3.88 3.76 -1.26 -4.87 115.29 116.75 2kl8 s HIS 82 Ca 0.48 0.53 -0.20 0.00 -0.15 0.00 0.00 55.06 55.72 2kl8 s HIS 82 Cb -0.32 -4.04 -0.02 0.00 1.11 0.00 0.00 32.58 29.31 2kl8 s HIS 82 CO 0.40 -1.54 1.89 -2.39 -0.85 0.00 0.00 174.74 172.25 2kl8 n HIS 83 N 14.03 3.51 -1.57 1.40 1.44 -1.26 -3.72 115.22 129.05 2kl8 n HIS 83 Ca 0.42 -2.23 -0.01 0.00 -2.01 0.00 0.00 57.72 53.89 2kl8 n HIS 83 Cb 0.47 -2.52 -0.01 0.00 0.12 0.00 0.00 29.99 28.04 2kl8 n HIS 83 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kl8 n HIS 84 N 10.27 0.00 -0.10 -1.40 -0.00 -1.26 -5.34 115.22 117.39 2kl8 n HIS 84 Ca 0.48 -0.10 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 2kl8 n HIS 84 Cb 0.45 0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.71 2kl8 n HIS 84 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06