#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 0.79 -0.10 2.12 2.02 -1.25 -2.85 118.70 119.43 2kl8 s GLU 2 Ca 0.00 -0.49 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 2kl8 s GLU 2 Cb 0.00 -0.76 0.03 0.00 0.10 0.00 0.00 34.13 33.51 2kl8 s GLU 2 CO 0.00 0.20 -0.02 0.00 0.02 0.00 0.00 175.26 175.45 2kl8 s MET 3 N -0.59 0.96 -0.35 1.61 0.23 -0.61 -1.85 119.30 118.71 2kl8 s MET 3 Ca 0.02 -0.11 -0.13 0.00 -1.03 0.00 0.00 55.69 54.45 2kl8 s MET 3 Cb -0.05 -1.36 -0.01 0.00 -1.53 0.00 0.00 34.83 31.88 2kl8 s MET 3 CO 0.00 -0.34 0.24 0.34 -2.03 0.00 0.00 175.02 173.23 2kl8 s ASP 4 N 1.85 5.99 -0.24 -1.18 -1.08 0.42 -1.09 116.67 121.34 2kl8 s ASP 4 Ca 0.04 -0.53 -0.07 0.00 -0.52 0.00 0.00 52.55 51.47 2kl8 s ASP 4 Cb -0.13 -2.12 -0.03 0.00 -1.46 0.00 0.00 42.92 39.18 2kl8 s ASP 4 CO -0.07 -0.27 0.06 -0.63 0.52 0.00 0.00 175.17 174.79 2kl8 s ILE 5 N 1.70 4.27 -0.44 4.11 1.01 0.61 0.59 121.20 133.05 2kl8 s ILE 5 Ca 0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 2kl8 s ILE 5 Cb -0.18 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.37 2kl8 s ILE 5 CO 0.10 0.35 0.31 -0.13 0.00 0.00 0.00 174.94 175.57 2kl8 s ARG 6 N 1.56 2.78 0.12 2.79 0.52 0.19 -0.90 118.95 126.01 2kl8 s ARG 6 Ca 0.06 -1.39 -0.09 0.00 -0.52 0.00 0.00 55.73 53.79 2kl8 s ARG 6 Cb -0.15 -3.93 -0.06 0.00 0.52 0.00 0.00 34.95 31.33 2kl8 s ARG 6 CO 0.03 -0.97 0.43 -0.06 0.02 0.00 0.00 175.30 174.76 2kl8 s PHE 7 N 1.52 3.53 -0.08 -0.53 0.08 0.32 -1.18 117.98 121.65 2kl8 s PHE 7 Ca 0.03 0.78 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 2kl8 s PHE 7 Cb -0.23 -2.16 0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2kl8 s PHE 7 CO 0.04 0.45 0.15 0.50 -0.10 0.00 0.00 175.22 176.26 2kl8 s ARG 8 N -2.23 0.02 0.04 0.44 3.52 0.77 -0.03 118.95 121.48 2kl8 s ARG 8 Ca 0.38 0.53 -0.27 0.00 -0.13 0.00 0.00 55.73 56.23 2kl8 s ARG 8 Cb -0.13 -0.29 0.08 0.00 -1.56 0.00 0.00 34.95 33.05 2kl8 s ARG 8 CO 0.20 -0.30 0.73 0.20 -0.81 0.00 0.00 175.30 175.32 2kl8 s GLY 9 N 2.19 -0.54 -0.03 8.12 0.00 -1.19 -1.23 107.32 114.65 2kl8 s GLY 9 Ca 0.02 0.98 0.12 0.00 0.00 0.00 0.00 44.72 45.84 2kl8 s GLY 9 CO -0.05 0.49 0.73 -1.80 0.00 0.00 0.00 173.10 172.46 2kl8 h ASP 10 N 2.30 0.01 -2.59 1.64 3.58 -1.93 -3.47 116.42 115.96 2kl8 h ASP 10 Ca -0.28 -0.01 -0.54 0.00 0.42 0.00 0.00 57.03 56.61 2kl8 h ASP 10 Cb 1.24 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.28 2kl8 h ASP 10 CO 0.36 1.01 1.10 -1.81 -2.88 0.00 0.00 179.24 177.02 2kl8 s ASP 11 N -6.17 6.64 0.19 2.28 1.11 -1.26 -4.91 116.67 114.55 2kl8 s ASP 11 Ca -0.04 2.32 -0.10 0.00 0.18 0.00 0.00 52.55 54.90 2kl8 s ASP 11 Cb 0.08 -2.54 0.10 0.00 1.07 0.00 0.00 42.92 41.64 2kl8 s ASP 11 CO 0.82 -0.94 1.73 0.25 1.18 0.00 0.00 175.17 178.22 2kl8 h LEU 12 N 10.10 0.96 -1.33 1.23 5.85 -2.02 -2.43 115.31 127.68 2kl8 h LEU 12 Ca -0.41 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.19 2kl8 h LEU 12 Cb 1.19 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 2kl8 h LEU 12 CO 0.95 0.90 0.51 -0.08 -0.34 0.00 0.00 178.44 180.38 2kl8 h GLU 13 N 0.97 0.77 -0.96 1.25 4.57 -2.01 -1.72 114.58 117.47 2kl8 h GLU 13 Ca 0.22 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 2kl8 h GLU 13 Cb 0.27 -0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.63 2kl8 h GLU 13 CO -0.01 0.51 0.62 0.00 -1.18 0.00 0.00 179.01 178.95 2kl8 h ALA 14 N 1.59 1.27 0.29 2.92 0.00 -1.83 -0.06 119.26 123.44 2kl8 h ALA 14 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2kl8 h ALA 14 Cb 0.31 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2kl8 h ALA 14 CO -0.12 0.50 -0.46 0.35 0.00 0.00 0.00 179.25 179.51 2kl8 h PHE 15 N 1.20 -1.30 -0.31 0.00 3.57 -1.28 -1.21 116.94 117.62 2kl8 h PHE 15 Ca 0.38 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.74 2kl8 h PHE 15 Cb 0.01 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2kl8 h PHE 15 CO -0.01 -0.59 -0.46 1.49 -2.23 0.00 0.00 178.31 176.52 2kl8 h GLU 16 N -0.82 0.86 -0.27 1.11 4.81 -1.47 -2.74 114.58 116.06 2kl8 h GLU 16 Ca -0.02 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2kl8 h GLU 16 Cb 0.77 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2kl8 h GLU 16 CO -0.16 1.15 0.11 0.87 -0.73 0.00 0.00 179.01 180.25 2kl8 h LYS 17 N 0.65 0.40 -0.09 1.92 1.79 -1.00 0.40 116.57 120.63 2kl8 h LYS 17 Ca 0.03 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2kl8 h LYS 17 Cb 1.06 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2kl8 h LYS 17 CO 0.11 0.42 0.05 0.00 -1.08 0.00 0.00 179.45 178.95 2kl8 h ALA 18 N 0.96 0.12 -0.84 3.86 0.00 -1.26 -1.04 119.26 121.06 2kl8 h ALA 18 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kl8 h ALA 18 Cb 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2kl8 h ALA 18 CO -0.01 -0.37 0.48 1.25 0.00 0.00 0.00 179.25 180.60 2kl8 h LEU 19 N 0.09 1.02 0.42 0.00 5.85 -1.40 -2.68 115.31 118.61 2kl8 h LEU 19 Ca 0.03 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2kl8 h LEU 19 Cb 0.03 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 2kl8 h LEU 19 CO -0.01 0.81 -0.25 0.50 -0.34 0.00 0.00 178.44 179.16 2kl8 h LYS 20 N 1.16 -0.61 -0.57 1.25 1.63 0.15 -2.52 116.57 117.06 2kl8 h LYS 20 Ca 0.30 0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 60.09 2kl8 h LYS 20 Cb -0.01 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 2kl8 h LYS 20 CO -0.05 -0.41 0.18 0.93 -3.45 0.00 0.00 179.45 176.65 2kl8 h GLU 21 N -0.63 0.88 -0.24 1.90 4.39 -1.18 0.24 114.58 119.94 2kl8 h GLU 21 Ca -0.05 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.49 2kl8 h GLU 21 Cb 0.51 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2kl8 h GLU 21 CO 0.06 0.80 0.07 0.52 -1.16 0.00 0.00 179.01 179.29 2kl8 h MET 22 N 0.80 0.17 -0.51 2.33 2.86 -1.46 -0.45 114.93 118.68 2kl8 h MET 22 Ca 0.18 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 2kl8 h MET 22 Cb 0.28 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2kl8 h MET 22 CO -0.01 0.11 -0.08 0.82 1.06 0.00 0.00 176.91 178.82 2kl8 h ILE 23 N 0.17 1.26 -0.39 -1.22 2.04 -1.31 -1.06 117.51 117.01 2kl8 h ILE 23 Ca 0.11 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 64.86 2kl8 h ILE 23 Cb 0.09 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 2kl8 h ILE 23 CO -0.13 0.41 0.05 -0.09 0.00 0.00 0.00 178.15 178.39 2kl8 h ARG 24 N 0.82 0.16 -0.12 2.37 2.43 0.27 -0.76 114.38 119.56 2kl8 h ARG 24 Ca 0.14 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.09 2kl8 h ARG 24 Cb 0.59 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2kl8 h ARG 24 CO 0.04 0.10 -0.75 1.96 -1.51 0.00 0.00 179.97 179.81 2kl8 h GLN 25 N 0.16 0.72 -0.29 0.20 7.50 -1.11 -3.30 115.11 118.99 2kl8 h GLN 25 Ca 0.19 -0.61 0.08 0.00 0.50 0.00 0.00 58.65 58.81 2kl8 h GLN 25 Cb 0.25 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 2kl8 h GLN 25 CO -0.28 1.22 0.21 0.00 -1.50 0.00 0.00 178.83 178.48 2kl8 h ALA 26 N 0.50 2.27 -0.31 3.87 0.00 -0.62 -1.61 119.26 123.36 2kl8 h ALA 26 Ca -0.06 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2kl8 h ALA 26 Cb 1.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2kl8 h ALA 26 CO 0.15 -0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.28 2kl8 h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.24 0.31 114.38 116.53 2kl8 h ARG 27 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2kl8 h ARG 27 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2kl8 h ARG 27 CO -0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 2kl8 n LYS 28 N -4.38 0.16 -4.76 0.04 4.76 -0.61 -4.85 118.16 108.53 2kl8 n LYS 28 Ca 0.04 0.25 -0.33 0.00 -2.87 0.00 0.00 58.31 55.41 2kl8 n LYS 28 Cb 0.40 -1.73 -0.08 0.00 -1.84 0.00 0.00 35.03 31.78 2kl8 n LYS 28 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2kl8 s PHE 29 N -3.14 1.84 0.00 2.13 0.08 0.10 -5.01 117.98 113.97 2kl8 s PHE 29 Ca 0.09 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.15 2kl8 s PHE 29 Cb 0.12 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 2kl8 s PHE 29 CO 0.47 0.19 1.71 0.00 -0.10 0.00 0.00 175.22 177.49 2kl8 n ALA 30 N -1.26 3.59 -2.67 5.36 0.00 -1.26 -4.91 120.51 119.37 2kl8 n ALA 30 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 2kl8 n ALA 30 Cb 0.67 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 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 1.80 2.10 -0.30 0.00 0.00 -1.24 -4.37 107.32 105.30 2kl8 s GLY 31 Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 2kl8 s GLY 31 CO 0.00 1.08 0.19 -1.59 0.00 0.00 0.00 173.10 172.78 2kl8 s THR 32 N 1.58 5.08 -0.15 0.90 2.01 0.71 -4.76 115.64 121.00 2kl8 s THR 32 Ca 0.25 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.12 2kl8 s THR 32 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2kl8 s THR 32 CO 0.10 0.14 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.46 2kl8 s VAL 33 N 1.71 4.05 0.15 3.82 1.01 -1.26 -1.25 120.40 128.63 2kl8 s VAL 33 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.77 2kl8 s VAL 33 Cb -0.17 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2kl8 s VAL 33 CO 0.09 0.50 -0.07 0.28 0.00 0.00 0.00 175.10 175.90 2kl8 s THR 34 N 0.24 1.00 0.02 3.92 -1.32 -0.85 -5.01 115.64 113.63 2kl8 s THR 34 Ca -0.01 -2.02 -0.16 0.00 -1.21 0.00 0.00 61.69 58.28 2kl8 s THR 34 Cb -0.14 -1.91 0.03 0.00 -1.51 0.00 0.00 72.50 68.97 2kl8 s THR 34 CO 0.02 -0.69 0.36 -0.72 -2.21 0.00 0.00 174.62 171.39 2kl8 s TYR 35 N -3.44 -0.21 -0.02 9.09 1.13 -1.26 -0.96 117.35 121.69 2kl8 s TYR 35 Ca 0.18 0.22 0.01 0.00 -1.41 0.00 0.00 57.07 56.07 2kl8 s TYR 35 Cb 0.04 0.15 0.01 0.00 -1.10 0.00 0.00 41.96 41.06 2kl8 s TYR 35 CO 0.01 -0.49 -0.02 -0.08 -2.51 0.00 0.00 175.55 172.46 2kl8 s THR 36 N -2.00 0.27 -0.11 -3.49 -1.32 -0.51 -4.99 115.64 103.48 2kl8 s THR 36 Ca -0.09 -0.05 -0.08 0.00 -1.21 0.00 0.00 61.69 60.27 2kl8 s THR 36 Cb -0.02 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.64 2kl8 s THR 36 CO 0.01 0.12 0.17 -0.76 -2.21 0.00 0.00 174.62 171.94 2kl8 s LEU 37 N 0.48 4.40 -0.39 9.08 2.01 -1.26 -1.82 118.68 131.18 2kl8 s LEU 37 Ca -0.05 0.52 0.02 0.00 0.01 0.00 0.00 54.13 54.63 2kl8 s LEU 37 Cb -0.08 -2.12 0.16 0.00 0.01 0.00 0.00 46.19 44.16 2kl8 s LEU 37 CO -0.01 0.40 0.32 -0.62 1.01 0.00 0.00 176.35 177.45 2kl8 s ASP 38 N -1.03 1.78 0.00 2.29 2.15 -0.46 -5.02 116.67 116.38 2kl8 s ASP 38 Ca 0.16 -2.34 0.00 0.00 0.43 0.00 0.00 52.55 50.80 2kl8 s ASP 38 Cb -0.12 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.43 2kl8 s ASP 38 CO 0.05 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 2kl8 n GLY 39 N 3.60 0.22 0.08 2.66 0.00 -1.26 -1.08 105.19 109.41 2kl8 n GLY 39 Ca 0.18 0.60 -0.01 0.00 0.00 0.00 0.00 46.02 46.80 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 2.61 0.40 -4.87 1.61 3.02 -1.26 -4.98 115.26 111.79 2kl8 n ASN 40 Ca 0.00 0.18 -0.33 0.00 -0.03 0.00 0.00 54.58 54.39 2kl8 n ASN 40 Cb 0.00 0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 39.95 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 -5.40 6.63 -0.26 6.41 1.01 -0.24 -3.17 116.67 121.65 2kl8 s ASP 41 Ca -0.06 0.82 -0.02 0.00 0.71 0.00 0.00 52.55 53.99 2kl8 s ASP 41 Cb 0.09 -2.19 0.08 0.00 1.01 0.00 0.00 42.92 41.92 2kl8 s ASP 41 CO 0.84 0.08 0.08 -0.22 0.21 0.00 0.00 175.17 176.16 2kl8 s LEU 42 N -2.28 1.40 -0.41 1.23 2.96 0.95 -1.35 118.68 121.18 2kl8 s LEU 42 Ca 0.39 -1.21 -0.19 0.00 -0.22 0.00 0.00 54.13 52.90 2kl8 s LEU 42 Cb -0.13 -0.63 0.02 0.00 0.50 0.00 0.00 46.19 45.95 2kl8 s LEU 42 CO 0.20 -0.37 0.53 -0.70 -1.32 0.00 0.00 176.35 174.68 2kl8 s GLU 43 N 1.83 3.27 -0.32 1.98 2.12 -0.76 -0.52 118.70 126.31 2kl8 s GLU 43 Ca 0.05 -0.50 -0.03 0.00 0.36 0.00 0.00 54.97 54.85 2kl8 s GLU 43 Cb -0.17 -3.93 0.05 0.00 0.26 0.00 0.00 34.13 30.34 2kl8 s GLU 43 CO -0.20 -0.86 0.04 0.42 -0.54 0.00 0.00 175.26 174.11 2kl8 s ILE 44 N 2.44 3.29 -0.26 -3.70 1.01 -0.08 -1.42 121.20 122.47 2kl8 s ILE 44 Ca 0.17 -1.30 -0.08 0.00 0.00 0.00 0.00 60.65 59.44 2kl8 s ILE 44 Cb -0.16 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2kl8 s ILE 44 CO 0.16 -0.14 0.10 -0.60 0.00 0.00 0.00 174.94 174.45 2kl8 s ARG 45 N 1.31 3.73 -0.20 2.79 3.52 -0.13 -0.28 118.95 129.68 2kl8 s ARG 45 Ca -0.04 -0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 55.07 2kl8 s ARG 45 Cb -0.20 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2kl8 s ARG 45 CO 0.00 -0.19 0.02 0.42 -0.81 0.00 0.00 175.30 174.75 2kl8 s ILE 46 N 1.65 4.22 -0.04 4.11 1.01 -0.25 -2.00 121.20 129.89 2kl8 s ILE 46 Ca 0.07 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.55 2kl8 s ILE 46 Cb -0.15 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2kl8 s ILE 46 CO 0.05 0.43 -0.24 -0.89 0.00 0.00 0.00 174.94 174.30 2kl8 s THR 47 N 0.86 1.91 0.00 2.92 2.01 -0.38 -1.58 115.64 121.39 2kl8 s THR 47 Ca 0.02 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.02 2kl8 s THR 47 Cb -0.14 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.76 2kl8 s THR 47 CO 0.02 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 2kl8 n GLY 48 N 2.85 1.52 3.76 4.40 0.00 -1.13 -0.21 105.19 116.39 2kl8 n GLY 48 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.25 2.70 0.61 1.61 -7.23 -1.26 -4.49 120.40 110.10 2kl8 s VAL 49 Ca 0.00 0.66 -0.17 0.00 -1.81 0.00 0.00 61.98 60.66 2kl8 s VAL 49 Cb 0.00 -3.42 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 2kl8 s VAL 49 CO 0.00 0.14 1.13 -2.16 -0.31 0.00 0.00 175.10 173.90 2kl8 s PRO 50 N -1.26 2.98 0.30 4.82 0.04 -1.26 -4.60 135.00 136.02 2kl8 s PRO 50 Ca 0.53 1.54 0.06 0.00 0.04 0.00 0.00 61.00 63.17 2kl8 s PRO 50 Cb -0.40 -1.96 0.83 0.00 0.04 0.00 0.00 34.50 33.00 2kl8 s PRO 50 CO 0.49 -1.14 1.65 1.05 0.04 0.00 0.00 177.00 179.10 2kl8 h GLU 51 N 0.53 0.24 -0.52 4.56 4.11 -1.98 -1.04 114.58 120.48 2kl8 h GLU 51 Ca -0.48 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 58.86 2kl8 h GLU 51 Cb 1.26 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2kl8 h GLU 51 CO 0.55 0.16 0.02 -0.56 0.07 0.00 0.00 179.01 179.25 2kl8 h GLN 52 N 0.25 0.86 0.00 1.06 3.07 -2.04 -2.89 115.11 115.42 2kl8 h GLN 52 Ca 0.61 -0.23 -0.05 0.00 0.09 0.00 0.00 58.65 59.06 2kl8 h GLN 52 Cb 1.28 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.74 2kl8 h GLN 52 CO -0.64 0.85 -0.24 0.28 0.09 0.00 0.00 178.83 179.16 2kl8 h VAL 53 N 0.81 0.53 -0.65 1.86 2.07 -1.56 -3.21 116.25 116.09 2kl8 h VAL 53 Ca 0.16 -1.29 0.13 0.00 0.82 0.00 0.00 66.70 66.52 2kl8 h VAL 53 Cb 0.45 1.90 -0.12 0.00 -1.52 0.00 0.00 31.29 32.00 2kl8 h VAL 53 CO 0.02 0.24 -0.19 -0.09 0.02 0.00 0.00 177.57 177.57 2kl8 h ARG 54 N 0.00 -0.02 -0.55 1.57 2.43 -1.35 -0.31 114.38 116.15 2kl8 h ARG 54 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2kl8 h ARG 54 Cb 0.88 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 2kl8 h ARG 54 CO 0.03 -0.02 0.34 0.87 -1.51 0.00 0.00 179.97 179.69 2kl8 h LYS 55 N -0.02 0.67 -0.07 0.20 1.57 -1.71 -2.67 116.57 114.54 2kl8 h LYS 55 Ca 0.31 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2kl8 h LYS 55 Cb 0.49 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2kl8 h LYS 55 CO -0.68 0.44 -0.05 0.93 -0.57 0.00 0.00 179.45 179.53 2kl8 h GLU 56 N 0.69 0.16 -0.41 3.15 4.39 -1.39 -2.53 114.58 118.64 2kl8 h GLU 56 Ca 0.21 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.85 2kl8 h GLU 56 Cb -0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2kl8 h GLU 56 CO -0.07 0.56 0.27 -0.07 -1.16 0.00 0.00 179.01 178.54 2kl8 h LEU 57 N -0.25 0.44 -0.23 1.33 3.38 -1.12 0.11 115.31 118.98 2kl8 h LEU 57 Ca 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kl8 h LEU 57 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2kl8 h LEU 57 CO 0.01 0.32 0.12 0.00 0.09 0.00 0.00 178.44 178.98 2kl8 h ALA 58 N 1.75 0.29 -0.53 1.53 0.00 -1.37 0.54 119.26 121.47 2kl8 h ALA 58 Ca 0.16 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2kl8 h ALA 58 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2kl8 h ALA 58 CO -0.04 -0.17 0.28 -0.22 0.00 0.00 0.00 179.25 179.11 2kl8 h LYS 59 N 0.25 0.53 -0.85 0.00 3.64 -0.79 -2.12 116.57 117.23 2kl8 h LYS 59 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2kl8 h LYS 59 Cb 0.08 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 2kl8 h LYS 59 CO -0.01 0.35 0.50 0.93 -2.27 0.00 0.00 179.45 178.95 2kl8 h GLU 60 N 0.54 1.16 -0.77 1.90 3.07 -0.63 -1.76 114.58 118.10 2kl8 h GLU 60 Ca 0.23 -0.11 0.04 0.00 -0.50 0.00 0.00 59.36 59.01 2kl8 h GLU 60 Cb 0.12 -0.24 -0.05 0.00 -0.84 0.00 0.00 28.75 27.74 2kl8 h GLU 60 CO -0.15 0.83 0.49 0.00 -1.40 0.00 0.00 179.01 178.77 2kl8 h ALA 61 N 1.27 1.02 -0.51 3.43 0.00 -0.43 0.13 119.26 124.17 2kl8 h ALA 61 Ca 0.30 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2kl8 h ALA 61 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2kl8 h ALA 61 CO -0.06 0.28 0.08 0.93 0.00 0.00 0.00 179.25 180.48 2kl8 h GLU 62 N 0.94 0.85 -0.56 0.00 5.08 -1.04 -1.54 114.58 118.32 2kl8 h GLU 62 Ca 0.31 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2kl8 h GLU 62 Cb 0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2kl8 h GLU 62 CO -0.12 0.85 0.06 -0.09 -1.00 0.00 0.00 179.01 178.70 2kl8 h ARG 63 N 0.73 0.91 -0.73 2.33 2.43 -0.87 -1.32 114.38 117.86 2kl8 h ARG 63 Ca 0.15 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2kl8 h ARG 63 Cb 0.41 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 2kl8 h ARG 63 CO 0.01 0.86 0.43 -0.07 -1.51 0.00 0.00 179.97 179.70 2kl8 h LEU 64 N 0.85 0.67 0.15 3.80 3.38 -0.55 0.78 115.31 124.40 2kl8 h LEU 64 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2kl8 h LEU 64 Cb 0.42 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kl8 h LEU 64 CO 0.01 0.44 -0.07 0.00 0.09 0.00 0.00 178.44 178.91 2kl8 h ALA 65 N 1.35 -0.21 0.00 1.53 0.00 -0.65 -2.86 119.26 118.42 2kl8 h ALA 65 Ca 0.31 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2kl8 h ALA 65 Cb 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kl8 h ALA 65 CO -0.16 -0.62 -0.24 0.87 0.00 0.00 0.00 179.25 179.10 2kl8 h LYS 66 N -0.21 0.00 -0.05 0.00 1.79 -1.04 0.42 116.57 117.49 2kl8 h LYS 66 Ca -0.02 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2kl8 h LYS 66 Cb 0.16 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2kl8 h LYS 66 CO 0.03 0.24 -0.05 1.49 -1.08 0.00 0.00 179.45 180.08 2kl8 h GLU 67 N 0.00 -0.07 -0.32 3.15 4.57 -0.61 -3.15 114.58 118.16 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 0.58 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2kl8 h GLU 67 CO 0.03 -0.04 0.00 1.19 -1.18 0.00 0.00 179.01 179.01 2kl8 n PHE 68 N -5.17 0.42 -3.18 0.92 3.72 -1.18 -5.02 117.46 107.96 2kl8 n PHE 68 Ca -0.05 -0.36 -0.07 0.00 -0.05 0.00 0.00 57.45 56.91 2kl8 n PHE 68 Cb 0.10 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.76 -7.22 -4.31 4.37 5.15 0.12 -4.95 115.26 109.19 2kl8 n ASN 69 Ca 0.13 -0.34 -0.21 0.00 -0.60 0.00 0.00 54.58 53.55 2kl8 n ASN 69 Cb 0.43 -5.02 -0.10 0.00 -0.53 0.00 0.00 39.78 34.56 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 -3.13 0.85 -0.10 -1.44 -4.36 0.19 -4.97 121.20 108.23 2kl8 s ILE 70 Ca 0.16 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.42 2kl8 s ILE 70 Cb -0.03 -2.63 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 2kl8 s ILE 70 CO 0.76 0.00 0.29 -0.89 0.24 0.00 0.00 174.94 175.34 2kl8 s THR 71 N -3.40 5.27 -0.06 8.37 2.01 -0.37 -4.63 115.64 122.84 2kl8 s THR 71 Ca 0.34 0.54 -0.05 0.00 0.31 0.00 0.00 61.69 62.83 2kl8 s THR 71 Cb 0.07 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 69.00 2kl8 s THR 71 CO 0.15 0.51 0.16 0.54 -0.69 0.00 0.00 174.62 175.28 2kl8 s VAL 72 N -0.39 -0.01 0.37 3.82 0.11 -1.26 -0.16 120.40 122.88 2kl8 s VAL 72 Ca 0.18 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.29 2kl8 s VAL 72 Cb -0.14 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 2kl8 s VAL 72 CO 0.07 0.01 0.07 0.42 -3.33 0.00 0.00 175.10 172.34 2kl8 s THR 73 N 0.22 1.08 -0.16 5.04 -4.23 -0.32 -4.99 115.64 112.28 2kl8 s THR 73 Ca -0.01 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 2kl8 s THR 73 Cb -0.02 -2.63 0.08 0.00 1.34 0.00 0.00 72.50 71.26 2kl8 s THR 73 CO -0.01 0.00 0.24 -0.72 -0.54 0.00 0.00 174.62 173.59 2kl8 s TYR 74 N -3.20 -0.35 -0.53 3.99 1.13 -1.26 -0.63 117.35 116.49 2kl8 s TYR 74 Ca 0.30 0.63 -0.20 0.00 -1.41 0.00 0.00 57.07 56.39 2kl8 s TYR 74 Cb 0.07 -0.19 0.06 0.00 -1.10 0.00 0.00 41.96 40.80 2kl8 s TYR 74 CO 0.14 -0.45 0.68 0.99 -2.51 0.00 0.00 175.55 174.40 2kl8 s THR 75 N 2.37 4.79 -0.14 -3.49 2.01 0.20 -4.95 115.64 116.43 2kl8 s THR 75 Ca 0.04 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 2kl8 s THR 75 Cb -0.14 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.99 2kl8 s THR 75 CO -0.10 -0.91 -0.09 -0.63 -0.69 0.00 0.00 174.62 172.20 2kl8 s ILE 76 N 2.84 3.41 -0.45 1.82 1.01 -1.26 -0.44 121.20 128.13 2kl8 s ILE 76 Ca 0.17 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 2kl8 s ILE 76 Cb -0.19 -2.47 0.06 0.00 0.01 0.00 0.00 42.46 39.87 2kl8 s ILE 76 CO 0.12 0.51 0.36 -0.13 0.00 0.00 0.00 174.94 175.80 2kl8 s ARG 77 N 0.41 2.96 -0.18 2.79 1.81 -0.77 -5.02 118.95 120.96 2kl8 s ARG 77 Ca -0.07 -1.25 -0.04 0.00 -1.72 0.00 0.00 55.73 52.64 2kl8 s ARG 77 Cb -0.15 -4.07 0.07 0.00 -0.45 0.00 0.00 34.95 30.35 2kl8 s ARG 77 CO 0.04 -0.94 0.15 -1.17 -0.68 0.00 0.00 175.30 172.70 2kl8 s LEU 78 N 1.65 0.11 0.48 2.53 1.98 -1.26 -3.85 118.68 120.31 2kl8 s LEU 78 Ca 0.04 -0.38 -0.21 0.00 -2.89 0.00 0.00 54.13 50.70 2kl8 s LEU 78 Cb -0.23 0.07 -0.08 0.00 0.66 0.00 0.00 46.19 46.61 2kl8 s LEU 78 CO 0.07 -0.33 1.06 -1.83 -1.89 0.00 0.00 176.35 173.44 2kl8 s GLU 79 N 2.23 3.80 -0.58 1.98 -1.05 -1.26 -5.03 118.70 118.79 2kl8 s GLU 79 Ca 0.04 1.46 0.04 0.00 -0.15 0.00 0.00 54.97 56.37 2kl8 s GLU 79 Cb -0.16 -2.19 0.17 0.00 -0.44 0.00 0.00 34.13 31.51 2kl8 s GLU 79 CO -0.10 -0.45 0.42 -1.58 0.95 0.00 0.00 175.26 174.51 2kl8 s HIS 80 N -1.85 2.59 -0.52 4.83 2.46 -1.26 -5.07 115.29 116.46 2kl8 s HIS 80 Ca 0.66 -2.93 -0.17 0.00 0.47 0.00 0.00 55.06 53.10 2kl8 s HIS 80 Cb -0.19 -2.02 0.10 0.00 -0.13 0.00 0.00 32.58 30.34 2kl8 s HIS 80 CO 0.23 -0.66 0.52 -1.01 -2.47 0.00 0.00 174.74 171.35 2kl8 s HIS 81 N -0.81 3.18 0.27 3.88 3.76 -1.26 -5.02 115.29 119.30 2kl8 s HIS 81 Ca 0.27 -1.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.11 2kl8 s HIS 81 Cb -0.03 -3.59 -0.01 0.00 1.11 0.00 0.00 32.58 30.06 2kl8 s HIS 81 CO -0.17 -0.99 0.38 -1.01 -0.85 0.00 0.00 174.74 172.10 2kl8 s HIS 82 N 1.93 0.88 -0.01 1.40 3.76 -1.26 -5.07 115.29 116.92 2kl8 s HIS 82 Ca 0.06 -1.13 0.02 0.00 -0.15 0.00 0.00 55.06 53.86 2kl8 s HIS 82 Cb -0.26 -0.14 0.03 0.00 1.11 0.00 0.00 32.58 33.32 2kl8 s HIS 82 CO 0.06 -0.95 0.82 1.58 -0.85 0.00 0.00 174.74 175.39 2kl8 n HIS 83 N -0.43 0.00 -1.78 1.40 -0.00 -1.26 -4.83 115.22 108.32 2kl8 n HIS 83 Ca 0.01 -0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.05 2kl8 n HIS 83 Cb 0.63 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 2kl8 n HIS 83 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kl8 n HIS 84 N -0.18 0.00 -1.39 1.57 -0.00 -1.26 -5.38 115.22 108.58 2kl8 n HIS 84 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2kl8 n HIS 84 Cb 0.58 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2kl8 n HIS 84 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92