#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 2.79 -0.12 2.12 8.01 -1.14 -1.61 118.70 128.75 2kl8 s GLU 2 Ca 0.00 -1.26 -0.04 0.00 0.01 0.00 0.00 54.97 53.68 2kl8 s GLU 2 Cb 0.00 -2.55 0.06 0.00 -4.31 0.00 0.00 34.13 27.33 2kl8 s GLU 2 CO 0.00 0.04 0.18 1.41 0.01 0.00 0.00 175.26 176.90 2kl8 s MET 3 N -4.06 0.08 -0.53 1.61 1.75 -0.67 -0.54 119.30 116.94 2kl8 s MET 3 Ca 0.43 0.46 -0.19 0.00 -1.25 0.00 0.00 55.69 55.15 2kl8 s MET 3 Cb -0.06 -0.54 0.07 0.00 2.84 0.00 0.00 34.83 37.13 2kl8 s MET 3 CO 0.28 -0.40 0.64 -0.51 -0.65 0.00 0.00 175.02 174.38 2kl8 s ASP 4 N 2.30 6.21 -0.43 1.11 1.01 -0.44 -0.97 116.67 125.46 2kl8 s ASP 4 Ca 0.04 -1.08 -0.15 0.00 0.71 0.00 0.00 52.55 52.06 2kl8 s ASP 4 Cb -0.13 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.54 2kl8 s ASP 4 CO -0.07 -0.95 0.35 -0.63 0.21 0.00 0.00 175.17 174.07 2kl8 s ILE 5 N 2.60 5.22 -0.45 0.77 1.01 0.11 -0.22 121.20 130.25 2kl8 s ILE 5 Ca 0.14 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 2kl8 s ILE 5 Cb -0.21 -3.99 0.05 0.00 0.01 0.00 0.00 42.46 38.32 2kl8 s ILE 5 CO 0.10 -0.39 0.36 -0.13 0.00 0.00 0.00 174.94 174.87 2kl8 s ARG 6 N 1.75 2.98 -0.16 2.79 0.52 0.98 -0.77 118.95 127.04 2kl8 s ARG 6 Ca 0.06 -1.21 -0.20 0.00 -0.52 0.00 0.00 55.73 53.86 2kl8 s ARG 6 Cb -0.20 -4.07 -0.03 0.00 0.52 0.00 0.00 34.95 31.17 2kl8 s ARG 6 CO 0.10 -0.91 0.56 -0.06 0.02 0.00 0.00 175.30 175.00 2kl8 s PHE 7 N 1.67 3.44 -0.13 -0.53 0.08 -0.36 -1.43 117.98 120.72 2kl8 s PHE 7 Ca 0.05 0.92 -0.00 0.00 0.12 0.00 0.00 56.93 58.01 2kl8 s PHE 7 Cb -0.22 -2.69 0.02 0.00 -0.57 0.00 0.00 43.02 39.57 2kl8 s PHE 7 CO 0.08 -0.01 -0.11 0.50 -0.10 0.00 0.00 175.22 175.58 2kl8 s ARG 8 N 1.28 1.91 0.03 0.44 3.52 0.25 -0.42 118.95 125.96 2kl8 s ARG 8 Ca 0.28 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 2kl8 s ARG 8 Cb -0.16 -1.84 -0.00 0.00 -1.56 0.00 0.00 34.95 31.39 2kl8 s ARG 8 CO 0.11 -0.25 0.03 0.41 -0.81 0.00 0.00 175.30 174.79 2kl8 n GLY 9 N 4.85 3.68 0.25 8.12 0.00 -1.26 -0.06 105.19 120.76 2kl8 n GLY 9 Ca -0.15 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 2kl8 n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kl8 n ASP 10 N -2.66 1.81 -4.91 1.61 5.75 -1.26 -4.97 116.55 111.91 2kl8 n ASP 10 Ca 0.00 0.16 -0.28 0.00 -0.01 0.00 0.00 54.79 54.66 2kl8 n ASP 10 Cb 0.05 -0.56 -0.04 0.00 -1.03 0.00 0.00 41.12 39.53 2kl8 n ASP 10 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2kl8 s ASP 11 N -6.73 6.23 0.27 -1.12 1.47 -1.26 -5.03 116.67 110.50 2kl8 s ASP 11 Ca -0.30 0.17 -0.01 0.00 1.18 0.00 0.00 52.55 53.59 2kl8 s ASP 11 Cb 0.11 -1.86 0.37 0.00 -0.34 0.00 0.00 42.92 41.20 2kl8 s ASP 11 CO 0.42 0.10 1.78 0.25 0.68 0.00 0.00 175.17 178.40 2kl8 h LEU 12 N 2.58 0.72 -1.72 2.11 5.85 -2.01 -2.88 115.31 119.97 2kl8 h LEU 12 Ca -0.47 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.12 2kl8 h LEU 12 Cb 1.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2kl8 h LEU 12 CO 0.71 0.79 0.26 -0.33 -0.34 0.00 0.00 178.44 179.53 2kl8 h GLU 13 N 0.71 0.35 -0.56 1.25 3.07 -1.98 0.07 114.58 117.49 2kl8 h GLU 13 Ca 0.14 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.04 2kl8 h GLU 13 Cb 0.43 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.21 2kl8 h GLU 13 CO 0.02 0.23 0.27 0.00 -1.40 0.00 0.00 179.01 178.12 2kl8 h ALA 14 N 1.78 0.72 -0.16 3.43 0.00 -1.93 0.03 119.26 123.13 2kl8 h ALA 14 Ca 0.16 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2kl8 h ALA 14 Cb 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kl8 h ALA 14 CO -0.04 -0.09 -0.04 0.74 0.00 0.00 0.00 179.25 179.82 2kl8 h PHE 15 N 0.51 0.34 0.30 0.00 0.04 -1.17 -2.65 116.94 114.32 2kl8 h PHE 15 Ca 0.25 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2kl8 h PHE 15 Cb 0.20 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 2kl8 h PHE 15 CO -0.11 0.59 -0.43 1.49 -0.60 0.00 0.00 178.31 179.25 2kl8 h GLU 16 N 0.00 -0.75 -0.15 1.51 4.57 -0.75 -0.21 114.58 118.80 2kl8 h GLU 16 Ca 0.04 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2kl8 h GLU 16 Cb 0.48 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2kl8 h GLU 16 CO 0.02 -0.50 0.02 0.87 -1.18 0.00 0.00 179.01 178.23 2kl8 h LYS 17 N -0.78 0.24 -0.01 1.92 1.79 -1.11 -1.04 116.57 117.59 2kl8 h LYS 17 Ca -0.02 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.40 2kl8 h LYS 17 Cb 0.73 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 2kl8 h LYS 17 CO -0.14 0.43 -0.09 0.00 -1.08 0.00 0.00 179.45 178.58 2kl8 h ALA 18 N 0.80 -0.09 -0.54 3.86 0.00 -1.44 -0.57 119.26 121.28 2kl8 h ALA 18 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2kl8 h ALA 18 Cb 0.31 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2kl8 h ALA 18 CO 0.00 -0.58 0.31 1.25 0.00 0.00 0.00 179.25 180.24 2kl8 h LEU 19 N -0.15 0.49 -1.14 0.00 5.85 -1.02 -2.13 115.31 117.21 2kl8 h LEU 19 Ca 0.04 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2kl8 h LEU 19 Cb 0.19 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2kl8 h LEU 19 CO -0.09 0.34 -0.32 0.50 -0.34 0.00 0.00 178.44 178.53 2kl8 h LYS 20 N 0.62 0.18 -0.33 1.25 3.64 -0.84 -0.92 116.57 120.17 2kl8 h LYS 20 Ca 0.23 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 2kl8 h LYS 20 Cb 0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2kl8 h LYS 20 CO -0.12 0.49 -0.44 0.93 -2.27 0.00 0.00 179.45 178.05 2kl8 h GLU 21 N 0.16 0.85 0.24 1.90 4.39 -0.85 0.42 114.58 121.70 2kl8 h GLU 21 Ca 0.02 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 2kl8 h GLU 21 Cb 0.66 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2kl8 h GLU 21 CO 0.05 1.11 -0.12 0.52 -1.16 0.00 0.00 179.01 179.41 2kl8 h MET 22 N 0.69 -0.32 -0.97 2.33 2.86 -0.87 -2.69 114.93 115.96 2kl8 h MET 22 Ca 0.04 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2kl8 h MET 22 Cb 1.02 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 2kl8 h MET 22 CO 0.10 -0.21 0.63 0.82 1.06 0.00 0.00 176.91 179.30 2kl8 h ILE 23 N -0.33 1.12 -0.19 -1.22 2.04 -1.19 0.41 117.51 118.14 2kl8 h ILE 23 Ca -0.03 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.46 2kl8 h ILE 23 Cb 0.26 -0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.11 2kl8 h ILE 23 CO 0.05 0.22 -0.50 -0.09 0.00 0.00 0.00 178.15 177.83 2kl8 h ARG 24 N 1.18 -0.49 -0.01 2.37 2.43 -0.62 -2.05 114.38 117.19 2kl8 h ARG 24 Ca 0.40 0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 59.35 2kl8 h ARG 24 Cb 0.08 0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2kl8 h ARG 24 CO -0.15 -0.33 -1.01 1.96 -1.51 0.00 0.00 179.97 178.94 2kl8 h GLN 25 N -0.51 0.66 -0.48 0.20 4.20 -1.40 -3.33 115.11 114.45 2kl8 h GLN 25 Ca 0.06 -0.70 0.14 0.00 0.06 0.00 0.00 58.65 58.21 2kl8 h GLN 25 Cb 0.65 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2kl8 h GLN 25 CO -0.46 1.29 0.35 0.00 -0.67 0.00 0.00 178.83 179.33 2kl8 h ALA 26 N 0.47 2.45 -0.01 3.87 0.00 -0.64 0.53 119.26 125.94 2kl8 h ALA 26 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kl8 h ALA 26 Cb 1.66 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2kl8 h ALA 26 CO 0.20 -0.59 0.01 0.00 0.00 0.00 0.00 179.25 178.86 2kl8 h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.49 -0.97 114.38 115.01 2kl8 h ARG 27 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2kl8 h ARG 27 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 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 -4.39 0.23 -4.20 0.04 4.01 0.18 -4.78 118.16 109.25 2kl8 n LYS 28 Ca -0.03 0.34 -0.30 0.00 -0.51 0.00 0.00 58.31 57.82 2kl8 n LYS 28 Cb 0.10 -1.86 -0.09 0.00 -0.51 0.00 0.00 35.03 32.67 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 2.87 -1.20 2.13 0.08 -0.37 -5.02 117.98 113.23 2kl8 s PHE 29 Ca 0.07 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.95 2kl8 s PHE 29 Cb 0.10 -1.50 -0.11 0.00 -0.57 0.00 0.00 43.02 40.95 2kl8 s PHE 29 CO 0.48 0.45 2.88 0.00 -0.10 0.00 0.00 175.22 178.93 2kl8 n ALA 30 N 0.71 6.76 -3.24 5.36 0.00 -1.26 -4.84 120.51 124.00 2kl8 n ALA 30 Ca -0.12 -2.91 -0.22 0.00 0.00 0.00 0.00 53.44 50.19 2kl8 n ALA 30 Cb 0.52 -3.12 -0.16 0.00 0.00 0.00 0.00 19.45 16.70 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 2.38 0.63 -0.29 0.00 0.00 -1.26 -4.81 107.32 103.97 2kl8 s GLY 31 Ca 0.63 -0.34 -0.24 0.00 0.00 0.00 0.00 44.72 44.77 2kl8 s GLY 31 CO -0.04 0.03 0.81 -1.59 0.00 0.00 0.00 173.10 172.30 2kl8 s THR 32 N 0.43 4.79 -0.44 0.90 2.01 -0.25 -4.83 115.64 118.24 2kl8 s THR 32 Ca -0.08 1.30 -0.20 0.00 0.31 0.00 0.00 61.69 63.02 2kl8 s THR 32 Cb -0.12 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.27 2kl8 s THR 32 CO 0.02 -0.22 0.63 -0.69 -0.69 0.00 0.00 174.62 173.67 2kl8 s VAL 33 N 2.96 4.84 0.16 3.82 1.01 -1.26 -0.66 120.40 131.27 2kl8 s VAL 33 Ca 0.33 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.43 2kl8 s VAL 33 Cb -0.14 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2kl8 s VAL 33 CO 0.11 -0.61 -0.08 0.42 0.00 0.00 0.00 175.10 174.95 2kl8 s THR 34 N 2.77 3.33 -0.06 3.92 -4.23 -0.14 -4.99 115.64 116.24 2kl8 s THR 34 Ca 0.21 -1.54 -0.25 0.00 -1.18 0.00 0.00 61.69 58.94 2kl8 s THR 34 Cb -0.15 -2.64 0.05 0.00 1.34 0.00 0.00 72.50 71.11 2kl8 s THR 34 CO 0.18 -0.07 0.56 -0.72 -0.54 0.00 0.00 174.62 174.03 2kl8 s TYR 35 N -1.61 -0.51 -0.08 3.99 1.13 -1.26 0.81 117.35 119.82 2kl8 s TYR 35 Ca 0.25 0.91 0.01 0.00 -1.41 0.00 0.00 57.07 56.82 2kl8 s TYR 35 Cb -0.09 0.30 0.02 0.00 -1.10 0.00 0.00 41.96 41.08 2kl8 s TYR 35 CO 0.16 -0.51 -0.09 0.95 -2.51 0.00 0.00 175.55 173.54 2kl8 s THR 36 N -1.09 0.96 -0.58 -3.49 -4.23 -0.15 -4.98 115.64 102.08 2kl8 s THR 36 Ca -0.11 -0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 59.90 2kl8 s THR 36 Cb -0.02 -0.93 0.12 0.00 1.34 0.00 0.00 72.50 73.01 2kl8 s THR 36 CO 0.07 0.33 0.60 -0.22 -0.54 0.00 0.00 174.62 174.86 2kl8 s LEU 37 N 1.07 5.90 -0.40 4.79 2.96 -1.26 -1.07 118.68 130.66 2kl8 s LEU 37 Ca -0.07 -1.70 -0.10 0.00 -0.22 0.00 0.00 54.13 52.04 2kl8 s LEU 37 Cb -0.14 -2.25 0.06 0.00 0.50 0.00 0.00 46.19 44.36 2kl8 s LEU 37 CO -0.01 -0.95 0.24 -0.62 -1.32 0.00 0.00 176.35 173.69 2kl8 s ASP 38 N 3.55 5.65 1.97 3.68 2.15 -0.55 -4.95 116.67 128.16 2kl8 s ASP 38 Ca 0.07 -1.34 0.00 0.00 0.43 0.00 0.00 52.55 51.71 2kl8 s ASP 38 Cb -0.27 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2kl8 s ASP 38 CO 0.04 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 2kl8 n GLY 39 N 4.94 2.20 2.65 2.66 0.00 -1.26 -2.84 105.19 113.53 2kl8 n GLY 39 Ca -0.11 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2kl8 n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kl8 n ASN 40 N 11.08 4.18 -3.34 1.61 2.85 -1.26 -4.97 115.26 125.40 2kl8 n ASN 40 Ca 0.00 -3.38 0.03 0.00 -0.11 0.00 0.00 54.58 51.11 2kl8 n ASN 40 Cb 0.00 -0.82 -0.05 0.00 1.24 0.00 0.00 39.78 40.15 2kl8 n ASN 40 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2kl8 s ASP 41 N -2.01 -0.22 -0.48 1.20 2.15 -1.13 -4.67 116.67 111.51 2kl8 s ASP 41 Ca 0.35 0.31 -0.11 0.00 0.43 0.00 0.00 52.55 53.54 2kl8 s ASP 41 Cb 0.09 1.22 0.11 0.00 -0.30 0.00 0.00 42.92 44.04 2kl8 s ASP 41 CO -0.02 -0.05 0.37 -0.22 -0.17 0.00 0.00 175.17 175.08 2kl8 s LEU 42 N 1.94 5.72 -0.59 -1.34 2.96 0.44 -1.48 118.68 126.34 2kl8 s LEU 42 Ca -0.02 -1.78 -0.25 0.00 -0.22 0.00 0.00 54.13 51.86 2kl8 s LEU 42 Cb -0.02 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.64 2kl8 s LEU 42 CO -0.15 -0.71 1.01 -1.61 -1.32 0.00 0.00 176.35 173.57 2kl8 s GLU 43 N 1.45 3.31 -0.42 1.98 2.02 -0.24 -1.22 118.70 125.58 2kl8 s GLU 43 Ca 0.05 -0.27 -0.15 0.00 0.02 0.00 0.00 54.97 54.61 2kl8 s GLU 43 Cb -0.26 -4.08 0.03 0.00 0.10 0.00 0.00 34.13 29.91 2kl8 s GLU 43 CO 0.01 -1.62 0.34 0.42 0.02 0.00 0.00 175.26 174.42 2kl8 s ILE 44 N 4.27 5.23 -0.47 -1.63 1.01 0.05 -0.98 121.20 128.69 2kl8 s ILE 44 Ca 0.31 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 2kl8 s ILE 44 Cb -0.12 -3.98 0.06 0.00 0.01 0.00 0.00 42.46 38.43 2kl8 s ILE 44 CO 0.18 -0.38 0.42 -0.60 0.00 0.00 0.00 174.94 174.57 2kl8 s ARG 45 N 1.73 3.01 -0.40 2.79 3.52 0.24 0.10 118.95 129.94 2kl8 s ARG 45 Ca 0.06 -1.19 -0.20 0.00 -0.13 0.00 0.00 55.73 54.26 2kl8 s ARG 45 Cb -0.20 -4.10 0.01 0.00 -1.56 0.00 0.00 34.95 29.11 2kl8 s ARG 45 CO 0.10 -1.01 0.62 0.42 -0.81 0.00 0.00 175.30 174.62 2kl8 s ILE 46 N 1.84 4.87 -0.26 4.11 1.01 -0.15 -0.97 121.20 131.65 2kl8 s ILE 46 Ca 0.06 0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.82 2kl8 s ILE 46 Cb -0.22 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 2kl8 s ILE 46 CO 0.08 -0.47 0.48 -0.89 0.00 0.00 0.00 174.94 174.15 2kl8 s THR 47 N 2.73 5.10 0.00 2.92 2.01 0.16 -1.67 115.64 126.89 2kl8 s THR 47 Ca 0.23 0.82 0.00 0.00 0.31 0.00 0.00 61.69 63.04 2kl8 s THR 47 Cb -0.14 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2kl8 s THR 47 CO 0.17 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 2kl8 n GLY 48 N 4.40 0.66 3.23 4.40 0.00 -1.14 -1.09 105.19 115.66 2kl8 n GLY 48 Ca -0.05 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.36 1.84 0.46 1.61 -7.23 -0.64 -4.01 120.40 110.08 2kl8 s VAL 49 Ca 0.00 -0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 2kl8 s VAL 49 Cb 0.00 -1.55 -0.10 0.00 0.56 0.00 0.00 36.38 35.29 2kl8 s VAL 49 CO 0.00 0.52 0.98 -2.16 -0.31 0.00 0.00 175.10 174.13 2kl8 s PRO 50 N -0.22 4.06 0.50 4.82 0.04 -1.26 -4.43 135.00 138.51 2kl8 s PRO 50 Ca -0.00 1.15 0.15 0.00 0.04 0.00 0.00 61.00 62.34 2kl8 s PRO 50 Cb -0.12 -2.15 1.20 0.00 0.04 0.00 0.00 34.50 33.47 2kl8 s PRO 50 CO 0.02 -0.18 2.13 1.05 0.04 0.00 0.00 177.00 180.06 2kl8 h GLU 51 N 1.64 0.08 -0.34 4.56 4.11 -1.99 -0.12 114.58 122.52 2kl8 h GLU 51 Ca -0.49 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 2kl8 h GLU 51 Cb 1.19 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kl8 h GLU 51 CO 0.60 0.06 0.12 -0.56 0.07 0.00 0.00 179.01 179.31 2kl8 h GLN 52 N 0.09 0.52 0.00 1.06 3.07 -2.03 -3.03 115.11 114.79 2kl8 h GLN 52 Ca 0.02 -0.10 -0.14 0.00 0.09 0.00 0.00 58.65 58.52 2kl8 h GLN 52 Cb -0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 27.45 2kl8 h GLN 52 CO -0.00 0.53 -0.66 0.28 0.09 0.00 0.00 178.83 179.07 2kl8 h VAL 53 N 0.40 1.25 -0.96 1.86 2.07 -1.77 -3.18 116.25 115.92 2kl8 h VAL 53 Ca 0.11 -2.46 0.22 0.00 0.82 0.00 0.00 66.70 65.40 2kl8 h VAL 53 Cb 0.21 2.41 -0.12 0.00 -1.52 0.00 0.00 31.29 32.28 2kl8 h VAL 53 CO -0.01 0.65 0.53 -0.09 0.02 0.00 0.00 177.57 178.66 2kl8 h ARG 54 N 0.00 0.54 0.18 1.57 2.43 -0.92 -0.58 114.38 117.60 2kl8 h ARG 54 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2kl8 h ARG 54 Cb 1.36 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2kl8 h ARG 54 CO 0.09 0.35 -0.09 0.87 -1.51 0.00 0.00 179.97 179.68 2kl8 h LYS 55 N 0.55 -0.23 -0.47 0.20 1.57 -1.54 -1.24 116.57 115.41 2kl8 h LYS 55 Ca 0.60 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.38 2kl8 h LYS 55 Cb 1.10 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2kl8 h LYS 55 CO -0.47 -0.12 0.24 0.93 -0.57 0.00 0.00 179.45 179.46 2kl8 h GLU 56 N -0.29 0.67 -0.24 3.15 5.08 -1.34 -0.51 114.58 121.10 2kl8 h GLU 56 Ca -0.02 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2kl8 h GLU 56 Cb 0.22 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2kl8 h GLU 56 CO 0.04 0.55 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.48 2kl8 h LEU 57 N 0.62 0.45 -0.87 1.33 3.38 -1.18 -2.03 115.31 117.01 2kl8 h LEU 57 Ca 0.16 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2kl8 h LEU 57 Cb 0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2kl8 h LEU 57 CO -0.02 0.71 0.41 0.00 0.09 0.00 0.00 178.44 179.62 2kl8 h ALA 58 N 0.76 1.11 -0.11 1.53 0.00 -1.09 -1.27 119.26 120.19 2kl8 h ALA 58 Ca 0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2kl8 h ALA 58 Cb 0.51 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kl8 h ALA 58 CO 0.02 0.67 -0.63 -0.22 0.00 0.00 0.00 179.25 179.09 2kl8 h LYS 59 N 1.21 0.42 -0.06 0.00 3.64 -1.07 -2.57 116.57 118.14 2kl8 h LYS 59 Ca 0.29 -0.30 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2kl8 h LYS 59 Cb 0.12 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2kl8 h LYS 59 CO -0.04 0.92 -0.57 1.49 -2.27 0.00 0.00 179.45 178.98 2kl8 h GLU 60 N 0.30 0.18 -0.68 1.90 4.81 -1.16 -1.58 114.58 118.36 2kl8 h GLU 60 Ca -0.01 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2kl8 h GLU 60 Cb 1.18 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 2kl8 h GLU 60 CO 0.11 0.70 0.36 0.00 -0.73 0.00 0.00 179.01 179.45 2kl8 h ALA 61 N 1.28 0.91 -0.09 2.92 0.00 -1.04 0.22 119.26 123.46 2kl8 h ALA 61 Ca -0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kl8 h ALA 61 Cb 1.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2kl8 h ALA 61 CO 0.08 0.01 -0.02 0.93 0.00 0.00 0.00 179.25 180.25 2kl8 h GLU 62 N 0.65 -0.00 -0.41 0.00 5.08 -1.14 -1.61 114.58 117.15 2kl8 h GLU 62 Ca 0.31 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.75 2kl8 h GLU 62 Cb 0.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2kl8 h GLU 62 CO -0.21 -0.00 0.00 -0.09 -1.00 0.00 0.00 179.01 177.72 2kl8 h ARG 63 N -0.00 0.11 -0.05 2.33 9.65 -0.46 0.11 114.38 126.07 2kl8 h ARG 63 Ca 0.05 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2kl8 h ARG 63 Cb 0.07 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 2kl8 h ARG 63 CO -0.10 0.07 -0.06 -0.07 2.80 0.00 0.00 179.97 182.61 2kl8 h LEU 64 N 0.11 -0.19 -2.35 3.80 3.38 -0.48 -1.54 115.31 118.05 2kl8 h LEU 64 Ca 0.20 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2kl8 h LEU 64 Cb 0.29 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2kl8 h LEU 64 CO -0.34 -0.09 0.01 0.00 0.09 0.00 0.00 178.44 178.12 2kl8 h ALA 65 N 0.96 1.66 0.28 1.53 0.00 -0.69 -0.84 119.26 122.16 2kl8 h ALA 65 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kl8 h ALA 65 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kl8 h ALA 65 CO -0.10 -0.02 -0.13 0.87 0.00 0.00 0.00 179.25 179.86 2kl8 h LYS 66 N 0.00 -0.36 -0.65 0.00 1.79 -0.26 0.12 116.57 117.21 2kl8 h LYS 66 Ca 0.01 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 2kl8 h LYS 66 Cb 0.03 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 2kl8 h LYS 66 CO -0.00 -0.23 0.43 0.93 -1.08 0.00 0.00 179.45 179.50 2kl8 h GLU 67 N -1.10 0.65 -0.01 3.15 3.07 -1.14 -0.76 114.58 118.45 2kl8 h GLU 67 Ca -0.04 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2kl8 h GLU 67 Cb 0.30 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2kl8 h GLU 67 CO 0.06 0.43 -0.44 1.19 -1.40 0.00 0.00 179.01 178.85 2kl8 n PHE 68 N -4.47 0.00 -1.28 4.33 3.72 -0.33 -4.94 117.46 114.48 2kl8 n PHE 68 Ca 0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.38 2kl8 n PHE 68 Cb 0.22 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.87 -5.13 -4.64 4.37 5.15 0.33 -4.95 115.26 109.51 2kl8 n ASN 69 Ca 0.09 0.27 -0.26 0.00 -0.60 0.00 0.00 54.58 54.09 2kl8 n ASN 69 Cb 0.36 -3.91 0.11 0.00 -0.53 0.00 0.00 39.78 35.81 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 -1.89 2.18 0.04 -1.44 -4.36 -0.64 -4.96 121.20 110.14 2kl8 s ILE 70 Ca 0.00 -0.35 -0.19 0.00 -0.26 0.00 0.00 60.65 59.85 2kl8 s ILE 70 Cb 0.00 -2.83 -0.06 0.00 1.25 0.00 0.00 42.46 40.82 2kl8 s ILE 70 CO 0.00 0.00 0.54 -0.89 0.24 0.00 0.00 174.94 174.83 2kl8 s THR 71 N -3.33 4.82 -0.05 8.37 2.01 0.91 -4.68 115.64 123.69 2kl8 s THR 71 Ca 0.66 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.80 2kl8 s THR 71 Cb -0.07 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2kl8 s THR 71 CO 0.46 0.54 -0.02 0.54 -0.69 0.00 0.00 174.62 175.45 2kl8 s VAL 72 N -0.94 0.39 -0.11 3.82 0.11 -1.26 -0.58 120.40 121.83 2kl8 s VAL 72 Ca 0.28 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.34 2kl8 s VAL 72 Cb -0.19 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 2kl8 s VAL 72 CO 0.18 0.21 -0.08 0.42 -3.33 0.00 0.00 175.10 172.50 2kl8 s THR 73 N 1.28 1.02 -0.19 5.04 -4.23 -0.52 -4.99 115.64 113.05 2kl8 s THR 73 Ca -0.06 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 2kl8 s THR 73 Cb -0.13 -1.03 0.03 0.00 1.34 0.00 0.00 72.50 72.70 2kl8 s THR 73 CO -0.02 0.36 -0.17 -0.72 -0.54 0.00 0.00 174.62 173.54 2kl8 s TYR 74 N 1.66 2.72 -0.32 3.99 1.13 -1.26 -0.02 117.35 125.25 2kl8 s TYR 74 Ca 0.04 -1.68 -0.13 0.00 -1.41 0.00 0.00 57.07 53.89 2kl8 s TYR 74 Cb -0.13 -1.84 -0.03 0.00 -1.10 0.00 0.00 41.96 38.87 2kl8 s TYR 74 CO -0.08 -0.79 0.27 0.99 -2.51 0.00 0.00 175.55 173.44 2kl8 s THR 75 N 1.30 5.25 -0.42 -3.49 2.01 0.69 -4.94 115.64 116.05 2kl8 s THR 75 Ca 0.02 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.76 2kl8 s THR 75 Cb -0.14 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.69 2kl8 s THR 75 CO -0.11 0.04 1.03 -0.63 -0.69 0.00 0.00 174.62 174.27 2kl8 s ILE 76 N 1.84 4.41 -0.68 1.82 -1.09 -1.26 -1.33 121.20 124.91 2kl8 s ILE 76 Ca 0.09 1.23 -0.27 0.00 -2.23 0.00 0.00 60.65 59.46 2kl8 s ILE 76 Cb -0.17 -4.47 0.02 0.00 -1.58 0.00 0.00 42.46 36.27 2kl8 s ILE 76 CO 0.11 -0.76 1.32 -0.13 -1.23 0.00 0.00 174.94 174.25 2kl8 s ARG 77 N 3.92 3.22 0.05 2.79 1.81 0.30 -4.99 118.95 126.05 2kl8 s ARG 77 Ca 0.43 -0.02 -0.30 0.00 -1.72 0.00 0.00 55.73 54.12 2kl8 s ARG 77 Cb -0.10 -4.16 -0.04 0.00 -0.45 0.00 0.00 34.95 30.20 2kl8 s ARG 77 CO 0.24 -2.09 0.97 -0.51 -0.68 0.00 0.00 175.30 173.23 2kl8 s LEU 78 N 5.89 4.42 -0.12 2.53 1.43 -1.26 -2.87 118.68 128.70 2kl8 s LEU 78 Ca 0.41 1.72 -0.29 0.00 -1.03 0.00 0.00 54.13 54.93 2kl8 s LEU 78 Cb -0.09 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 2kl8 s LEU 78 CO 0.18 -0.18 1.82 -0.70 0.23 0.00 0.00 176.35 177.70 2kl8 s GLU 79 N 0.58 3.84 0.37 1.70 2.12 -1.26 -4.98 118.70 121.08 2kl8 s GLU 79 Ca 0.50 2.08 0.07 0.00 0.36 0.00 0.00 54.97 57.98 2kl8 s GLU 79 Cb -0.22 -4.12 -0.07 0.00 0.26 0.00 0.00 34.13 29.98 2kl8 s GLU 79 CO 0.29 -1.26 -0.02 -3.38 -0.54 0.00 0.00 175.26 170.35 2kl8 s HIS 80 N 5.33 2.39 -0.30 5.30 -3.43 -1.26 -5.12 115.29 118.20 2kl8 s HIS 80 Ca 0.81 -0.66 -0.13 0.00 -0.80 0.00 0.00 55.06 54.28 2kl8 s HIS 80 Cb -0.33 -1.58 0.17 0.00 -1.43 0.00 0.00 32.58 29.41 2kl8 s HIS 80 CO 0.33 0.42 0.93 -1.58 -2.00 0.00 0.00 174.74 172.85 2kl8 s HIS 81 N -2.77 -0.80 -0.70 0.38 5.04 -1.26 -5.10 115.29 110.08 2kl8 s HIS 81 Ca 0.34 1.23 -0.26 0.00 -1.54 0.00 0.00 55.06 54.84 2kl8 s HIS 81 Cb 0.08 0.42 -0.10 0.00 0.04 0.00 0.00 32.58 33.02 2kl8 s HIS 81 CO 0.17 -0.41 2.31 -1.58 -2.34 0.00 0.00 174.74 172.89 2kl8 s HIS 82 N 2.62 1.23 0.98 3.88 2.46 -1.26 -4.93 115.29 120.26 2kl8 s HIS 82 Ca -0.00 1.61 -0.11 0.00 0.47 0.00 0.00 55.06 57.03 2kl8 s HIS 82 Cb -0.08 -3.60 0.18 0.00 -0.13 0.00 0.00 32.58 28.95 2kl8 s HIS 82 CO -0.17 -1.95 1.10 -3.38 -2.47 0.00 0.00 174.74 167.87 2kl8 s HIS 83 N 13.03 1.74 -0.24 3.88 -3.43 -1.26 -5.00 115.29 124.00 2kl8 s HIS 83 Ca 0.90 1.49 0.01 0.00 -0.80 0.00 0.00 55.06 56.65 2kl8 s HIS 83 Cb -0.13 -3.21 -0.19 0.00 -1.43 0.00 0.00 32.58 27.62 2kl8 s HIS 83 CO 0.14 -2.99 -0.13 0.72 -2.00 0.00 0.00 174.74 170.48 2kl8 n HIS 84 N -4.33 0.21 -0.01 0.38 8.25 -1.26 -5.35 115.22 113.10 2kl8 n HIS 84 Ca 0.08 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2kl8 n HIS 84 Cb 0.53 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.62 2kl8 n HIS 84 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59