#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk8 n GLY 2 N 0.00 1.21 0.05 -5.12 0.00 -1.26 -5.01 105.19 95.07 2kk8 n GLY 2 Ca 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.19 2kk8 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kk8 n HIS 3 N 0.00 0.29 -2.87 1.61 -0.00 -1.26 -4.88 115.22 108.11 2kk8 n HIS 3 Ca 0.00 0.09 -0.40 0.00 -0.00 0.00 0.00 57.72 57.40 2kk8 n HIS 3 Cb 0.00 -0.71 -0.05 0.00 -0.00 0.00 0.00 29.99 29.23 2kk8 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 4 N -3.31 3.75 -0.07 1.57 0.09 -1.26 -5.05 115.29 111.00 2kk8 s HIS 4 Ca -0.06 1.60 0.05 0.00 -0.00 0.00 0.00 55.06 56.65 2kk8 s HIS 4 Cb 0.12 -2.93 -0.00 0.00 -0.00 0.00 0.00 32.58 29.77 2kk8 s HIS 4 CO 0.87 0.22 -0.23 -3.38 -0.00 0.00 0.00 174.74 172.22 2kk8 s HIS 5 N 0.07 2.33 0.22 1.40 0.00 -1.26 -5.03 115.29 113.02 2kk8 s HIS 5 Ca 0.43 -0.82 -0.02 0.00 -3.00 0.00 0.00 55.06 51.64 2kk8 s HIS 5 Cb -0.21 -1.55 -0.03 0.00 -4.00 0.00 0.00 32.58 26.78 2kk8 s HIS 5 CO 0.26 -0.30 0.19 -3.38 -1.00 0.00 0.00 174.74 170.51 2kk8 s HIS 6 N 0.14 1.11 0.08 0.38 0.00 -1.26 -5.18 115.29 110.57 2kk8 s HIS 6 Ca -0.11 -1.32 0.06 0.00 -3.00 0.00 0.00 55.06 50.69 2kk8 s HIS 6 Cb -0.15 -0.47 -0.03 0.00 -4.00 0.00 0.00 32.58 27.92 2kk8 s HIS 6 CO 0.06 -0.71 -0.17 -1.01 -1.00 0.00 0.00 174.74 171.90 2kk8 s HIS 7 N -4.05 1.45 0.08 0.38 4.02 -1.26 -5.05 115.29 110.86 2kk8 s HIS 7 Ca 0.37 -0.43 -0.15 0.00 1.02 0.00 0.00 55.06 55.87 2kk8 s HIS 7 Cb 0.05 -0.81 -0.15 0.00 -1.02 0.00 0.00 32.58 30.65 2kk8 s HIS 7 CO 0.13 0.11 1.30 0.45 1.02 0.00 0.00 174.74 177.75 2kk8 h HIS 8 N 4.30 0.86 -0.68 1.40 -0.00 -2.05 -3.47 115.15 115.52 2kk8 h HIS 8 Ca -0.43 -0.35 -0.19 0.00 -0.00 0.00 0.00 60.37 59.40 2kk8 h HIS 8 Cb 1.18 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 28.39 2kk8 h HIS 8 CO 0.61 1.15 -0.19 0.43 -0.00 0.00 0.00 177.93 179.92 2kk8 n SER 9 N -4.14 -3.92 -3.92 2.45 7.64 -1.26 -4.98 113.62 105.50 2kk8 n SER 9 Ca -0.07 0.17 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 2kk8 n SER 9 Cb 0.62 -2.49 -0.16 0.00 -1.01 0.00 0.00 64.21 61.17 2kk8 n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kk8 s HIS 10 N -2.38 1.90 0.04 1.43 0.09 -1.26 -1.59 115.29 113.52 2kk8 s HIS 10 Ca 0.00 -1.24 0.05 0.00 -0.00 0.00 0.00 55.06 53.87 2kk8 s HIS 10 Cb 0.00 -1.40 -0.02 0.00 -0.00 0.00 0.00 32.58 31.15 2kk8 s HIS 10 CO 0.00 -0.66 -0.15 -1.64 -0.00 0.00 0.00 174.74 172.29 2kk8 s MET 11 N 1.57 1.02 -0.41 1.40 1.00 -0.70 -4.97 119.30 118.21 2kk8 s MET 11 Ca -0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 55.69 54.81 2kk8 s MET 11 Cb -0.16 -1.04 0.05 0.00 0.00 0.00 0.00 34.83 33.68 2kk8 s MET 11 CO -0.08 0.26 0.25 0.15 0.00 0.00 0.00 175.02 175.61 2kk8 s LYS 12 N -1.09 2.77 0.14 2.03 1.02 -1.26 -0.10 119.74 123.26 2kk8 s LYS 12 Ca 0.03 -1.25 0.03 0.00 0.02 0.00 0.00 55.97 54.80 2kk8 s LYS 12 Cb -0.08 -3.82 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 2kk8 s LYS 12 CO 0.01 -0.84 0.22 -0.59 -0.92 0.00 0.00 175.35 173.23 2kk8 s PHE 13 N 1.53 3.36 -0.47 3.18 -0.71 -0.47 -4.81 117.98 119.58 2kk8 s PHE 13 Ca 0.03 0.08 -0.24 0.00 -1.04 0.00 0.00 56.93 55.75 2kk8 s PHE 13 Cb -0.21 -1.62 0.03 0.00 -1.21 0.00 0.00 43.02 40.01 2kk8 s PHE 13 CO 0.05 0.52 0.86 -1.17 -1.34 0.00 0.00 175.22 174.14 2kk8 s LEU 14 N -3.09 4.14 -0.65 -1.99 2.96 -1.26 -0.83 118.68 117.96 2kk8 s LEU 14 Ca 0.33 -0.05 -0.27 0.00 -0.22 0.00 0.00 54.13 53.92 2kk8 s LEU 14 Cb -0.11 -3.04 0.01 0.00 0.50 0.00 0.00 46.19 43.55 2kk8 s LEU 14 CO 0.26 -1.01 1.48 -0.69 -1.32 0.00 0.00 176.35 175.07 2kk8 s VAL 15 N 3.55 3.65 -0.81 1.68 1.01 0.20 -4.47 120.40 125.20 2kk8 s VAL 15 Ca 0.33 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 2kk8 s VAL 15 Cb -0.11 -4.50 0.08 0.00 0.00 0.00 0.00 36.38 31.84 2kk8 s VAL 15 CO 0.24 -1.38 1.14 -0.70 0.00 0.00 0.00 175.10 174.40 2kk8 s GLU 16 N 6.00 3.35 -0.55 2.72 2.56 -1.12 -2.01 118.70 129.64 2kk8 s GLU 16 Ca 0.49 -1.07 -0.28 0.00 0.00 0.00 0.00 54.97 54.11 2kk8 s GLU 16 Cb -0.10 -4.62 0.02 0.00 2.00 0.00 0.00 34.13 31.43 2kk8 s GLU 16 CO 0.20 -1.92 1.33 1.21 -0.56 0.00 0.00 175.26 175.51 2kk8 s ASN 17 N 3.90 6.28 0.52 -1.70 3.84 -1.24 -0.26 114.94 126.28 2kk8 s ASN 17 Ca 0.31 0.28 0.19 0.00 0.21 0.00 0.00 52.86 53.85 2kk8 s ASN 17 Cb -0.09 -2.55 1.33 0.00 -0.55 0.00 0.00 41.25 39.39 2kk8 s ASN 17 CO 0.02 -1.58 2.13 0.25 -2.79 0.00 0.00 177.10 175.13 2kk8 h LEU 18 N 12.52 0.00 -3.19 3.21 5.85 -1.53 -1.16 115.31 131.01 2kk8 h LEU 18 Ca -0.26 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 2kk8 h LEU 18 Cb 1.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2kk8 h LEU 18 CO 1.17 0.04 -0.09 0.59 -0.34 0.00 0.00 178.44 179.81 2kk8 n ASN 19 N -4.33 2.78 0.00 1.25 4.13 -1.26 -4.99 115.26 112.84 2kk8 n ASN 19 Ca -0.03 -3.40 0.00 0.00 1.68 0.00 0.00 54.58 52.83 2kk8 n ASN 19 Cb 0.13 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 2kk8 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kk8 n GLY 20 N -1.01 3.65 3.22 7.41 0.00 -0.44 -5.03 105.19 113.00 2kk8 n GLY 20 Ca 0.24 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2kk8 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kk8 s SER 21 N 1.69 1.85 0.56 1.61 1.04 -1.25 -4.81 113.70 114.39 2kk8 s SER 21 Ca 0.00 -0.79 -0.18 0.00 0.48 0.00 0.00 55.95 55.46 2kk8 s SER 21 Cb 0.00 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.02 2kk8 s SER 21 CO 0.00 -0.16 1.09 -0.44 0.98 0.00 0.00 173.24 174.71 2kk8 s SER 22 N -2.36 5.76 -0.21 7.02 0.01 -1.26 -3.69 113.70 118.97 2kk8 s SER 22 Ca 0.07 2.00 -0.13 0.00 1.31 0.00 0.00 55.95 59.20 2kk8 s SER 22 Cb -0.05 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.68 2kk8 s SER 22 CO 0.02 -1.18 0.53 0.12 0.41 0.00 0.00 173.24 173.14 2kk8 s PHE 23 N -2.09 -0.76 -0.60 2.43 5.36 -0.85 -4.96 117.98 116.51 2kk8 s PHE 23 Ca 0.68 1.60 -0.27 0.00 -0.96 0.00 0.00 56.93 57.98 2kk8 s PHE 23 Cb -0.20 0.38 0.03 0.00 -0.34 0.00 0.00 43.02 42.90 2kk8 s PHE 23 CO 0.30 -0.40 1.15 -1.21 -1.46 0.00 0.00 175.22 173.61 2kk8 s GLU 24 N 1.31 3.43 -0.15 10.12 2.02 -1.26 0.58 118.70 134.75 2kk8 s GLU 24 Ca -0.08 0.07 -0.07 0.00 0.02 0.00 0.00 54.97 54.90 2kk8 s GLU 24 Cb -0.07 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2kk8 s GLU 24 CO -0.13 -1.71 0.10 -1.17 0.02 0.00 0.00 175.26 172.37 2kk8 s LEU 25 N 4.86 4.12 -0.27 1.80 2.96 -0.01 -4.85 118.68 127.30 2kk8 s LEU 25 Ca 0.39 0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 2kk8 s LEU 25 Cb -0.09 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.59 2kk8 s LEU 25 CO 0.23 0.31 0.99 -0.70 -1.32 0.00 0.00 176.35 175.85 2kk8 s GLU 26 N -0.42 4.14 -0.13 1.98 2.12 -1.26 -1.37 118.70 123.76 2kk8 s GLU 26 Ca 0.11 1.09 -0.03 0.00 0.36 0.00 0.00 54.97 56.50 2kk8 s GLU 26 Cb -0.12 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 2kk8 s GLU 26 CO 0.02 -0.72 -0.01 0.14 -0.54 0.00 0.00 175.26 174.15 2kk8 s VAL 27 N 3.28 4.20 -0.04 3.70 -7.23 0.86 -4.94 120.40 120.23 2kk8 s VAL 27 Ca 0.42 -0.27 -0.07 0.00 -1.81 0.00 0.00 61.98 60.25 2kk8 s VAL 27 Cb -0.14 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 2kk8 s VAL 27 CO 0.10 0.54 0.23 -0.62 -0.31 0.00 0.00 175.10 175.04 2kk8 s ASP 28 N -0.20 6.48 0.00 4.85 -1.08 -1.26 -1.72 116.67 123.73 2kk8 s ASP 28 Ca 0.05 0.54 0.14 0.00 -0.52 0.00 0.00 52.55 52.76 2kk8 s ASP 28 Cb -0.13 -2.09 0.61 0.00 -1.46 0.00 0.00 42.92 39.86 2kk8 s ASP 28 CO 0.02 0.31 1.43 -1.22 0.52 0.00 0.00 175.17 176.24 2kk8 n TYR 29 N 1.44 0.00 1.05 -5.34 4.01 -0.62 -0.78 117.16 116.91 2kk8 n TYR 29 Ca -0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.72 2kk8 n TYR 29 Cb 0.53 -0.46 0.19 0.00 -0.31 0.00 0.00 39.34 39.29 2kk8 n TYR 29 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2kk8 n ARG 30 N -1.46 0.24 -2.39 -0.72 0.63 -1.26 -3.36 116.66 108.34 2kk8 n ARG 30 Ca 0.04 -0.16 -0.40 0.00 -0.92 0.00 0.00 57.85 56.40 2kk8 n ARG 30 Cb 0.15 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.53 2kk8 n ARG 30 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kk8 s ASP 31 N -2.87 7.14 0.54 6.15 1.01 0.04 -4.92 116.67 123.75 2kk8 s ASP 31 Ca 0.14 2.35 -0.05 0.00 0.71 0.00 0.00 52.55 55.70 2kk8 s ASP 31 Cb 0.18 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 2kk8 s ASP 31 CO 0.69 -0.25 0.83 0.42 0.21 0.00 0.00 175.17 177.06 2kk8 s THR 32 N -1.00 4.04 -2.00 -1.27 -4.23 -1.26 -1.21 115.64 108.71 2kk8 s THR 32 Ca 0.46 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 2kk8 s THR 32 Cb -0.34 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 69.98 2kk8 s THR 32 CO 0.43 -0.54 1.02 0.18 -0.54 0.00 0.00 174.62 175.17 2kk8 n LEU 33 N -2.41 0.00 -0.12 4.79 4.77 0.42 -2.45 117.00 122.00 2kk8 n LEU 33 Ca 0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.75 2kk8 n LEU 33 Cb 0.57 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 2kk8 n LEU 33 CO 0.52 0.00 -1.02 -0.11 -1.33 0.00 0.00 177.39 175.45 2kk8 n LEU 34 N -0.52 1.94 0.03 2.23 7.94 -1.23 -4.39 117.00 123.00 2kk8 n LEU 34 Ca 0.01 0.37 -0.02 0.00 -1.11 0.00 0.00 56.01 55.26 2kk8 n LEU 34 Cb 0.01 -0.89 0.23 0.00 0.53 0.00 0.00 43.42 43.30 2kk8 n LEU 34 CO 0.01 0.45 0.77 0.58 -1.11 0.00 0.00 177.39 178.09 2kk8 h VAL 35 N -0.97 1.25 -0.46 1.96 2.07 -1.86 -2.83 116.25 115.41 2kk8 h VAL 35 Ca -0.54 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 65.82 2kk8 h VAL 35 Cb 1.49 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 2kk8 h VAL 35 CO -0.32 0.37 0.31 1.62 0.02 0.00 0.00 177.57 179.57 2kk8 h VAL 36 N 0.40 1.07 -0.44 2.57 3.04 -1.71 -1.15 116.25 120.03 2kk8 h VAL 36 Ca 0.06 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 65.50 2kk8 h VAL 36 Cb 0.61 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 2kk8 h VAL 36 CO 0.04 0.10 -0.01 0.11 -1.01 0.00 0.00 177.57 176.80 2kk8 h LYS 37 N 0.55 0.73 -0.03 4.17 1.57 -1.70 0.28 116.57 122.14 2kk8 h LYS 37 Ca 0.18 -0.19 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 2kk8 h LYS 37 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2kk8 h LYS 37 CO -0.04 0.75 -0.66 1.96 -0.57 0.00 0.00 179.45 180.89 2kk8 h GLN 38 N 0.68 0.13 -0.14 3.15 4.20 -1.32 0.14 115.11 121.95 2kk8 h GLN 38 Ca 0.13 -0.10 -0.17 0.00 0.06 0.00 0.00 58.65 58.58 2kk8 h GLN 38 Cb 0.44 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2kk8 h GLN 38 CO 0.02 0.74 -0.61 0.87 -0.67 0.00 0.00 178.83 179.18 2kk8 h LYS 39 N 0.09 0.48 -0.32 1.46 1.57 -0.76 -2.07 116.57 117.01 2kk8 h LYS 39 Ca -0.01 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 58.30 2kk8 h LYS 39 Cb 1.18 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2kk8 h LYS 39 CO 0.09 0.94 -0.34 0.82 -0.57 0.00 0.00 179.45 180.39 2kk8 h ILE 40 N 0.35 1.29 -0.69 1.86 2.04 -0.73 -3.12 117.51 118.51 2kk8 h ILE 40 Ca -0.01 -1.52 0.07 0.00 1.00 0.00 0.00 64.86 64.41 2kk8 h ILE 40 Cb 1.15 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 2kk8 h ILE 40 CO 0.11 0.49 0.37 -0.08 0.00 0.00 0.00 178.15 179.05 2kk8 h GLU 41 N 0.58 0.65 0.00 2.37 4.81 -0.60 0.42 114.58 122.81 2kk8 h GLU 41 Ca 0.05 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2kk8 h GLU 41 Cb 0.93 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2kk8 h GLU 41 CO 0.08 0.43 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.58 2kk8 h ARG 42 N 0.67 0.00 0.00 1.92 2.43 -1.37 0.09 114.38 118.12 2kk8 h ARG 42 Ca 0.32 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.13 2kk8 h ARG 42 Cb 0.25 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 2kk8 h ARG 42 CO -0.21 0.12 -1.98 0.43 -1.51 0.00 0.00 179.97 176.81 2kk8 n SER 43 N -4.25 1.92 0.06 -3.80 7.64 -0.34 -4.41 113.62 110.45 2kk8 n SER 43 Ca -0.03 0.38 0.13 0.00 1.01 0.00 0.00 58.87 60.36 2kk8 n SER 43 Cb 0.20 -0.88 0.38 0.00 -1.01 0.00 0.00 64.21 62.89 2kk8 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk8 n GLN 44 N -4.33 0.18 -1.02 1.43 1.13 0.13 -4.91 117.38 110.00 2kk8 n GLN 44 Ca -0.45 0.11 -0.01 0.00 -1.94 0.00 0.00 57.00 54.72 2kk8 n GLN 44 Cb 0.80 -1.68 -0.00 0.00 0.11 0.00 0.00 30.24 29.47 2kk8 n GLN 44 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2kk8 n HIS 45 N -1.98 0.00 -3.78 1.08 8.25 0.02 -4.99 115.22 113.82 2kk8 n HIS 45 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 2kk8 n HIS 45 Cb 0.40 -1.09 -0.10 0.00 1.12 0.00 0.00 29.99 30.32 2kk8 n HIS 45 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2kk8 s ILE 46 N -1.55 5.09 0.62 1.59 -4.36 -1.24 -5.02 121.20 116.33 2kk8 s ILE 46 Ca 0.00 0.08 -0.18 0.00 -0.26 0.00 0.00 60.65 60.29 2kk8 s ILE 46 Cb 0.00 -3.35 -0.04 0.00 1.25 0.00 0.00 42.46 40.33 2kk8 s ILE 46 CO 0.00 0.39 1.00 -0.81 0.24 0.00 0.00 174.94 175.76 2kk8 n PRO 47 N 4.06 0.87 -0.34 0.37 -0.04 -1.26 -4.18 135.00 134.48 2kk8 n PRO 47 Ca -0.16 0.34 0.19 0.00 -0.04 0.00 0.00 63.50 63.84 2kk8 n PRO 47 Cb 0.52 -2.21 0.43 0.00 -0.04 0.00 0.00 33.50 32.20 2kk8 n PRO 47 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kk8 h VAL 48 N 0.40 0.56 0.00 0.52 2.07 -1.96 0.12 116.25 117.95 2kk8 h VAL 48 Ca -0.49 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2kk8 h VAL 48 Cb 1.36 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2kk8 h VAL 48 CO 0.51 0.10 0.00 -1.54 0.02 0.00 0.00 177.57 176.65 2kk8 n SER 49 N -4.76 0.00 0.00 0.57 3.41 -1.26 -2.40 113.62 109.18 2kk8 n SER 49 Ca 0.26 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2kk8 n SER 49 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 2kk8 n SER 49 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kk8 n LYS 50 N -0.77 1.38 -3.16 4.33 5.02 0.42 -4.87 118.16 120.51 2kk8 n LYS 50 Ca 0.11 -1.07 -0.45 0.00 -2.02 0.00 0.00 58.31 54.87 2kk8 n LYS 50 Cb 0.05 -0.98 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 2kk8 n LYS 50 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kk8 s GLN 51 N -0.58 3.03 -0.77 1.97 -0.21 -1.01 -0.96 119.66 121.14 2kk8 s GLN 51 Ca 0.00 -1.41 -0.24 0.00 0.02 0.00 0.00 55.36 53.74 2kk8 s GLN 51 Cb 0.00 -4.27 0.06 0.00 1.00 0.00 0.00 33.01 29.80 2kk8 s GLN 51 CO 0.00 -1.49 1.15 0.99 -2.12 0.00 0.00 175.29 173.82 2kk8 s THR 52 N 2.43 4.13 -0.74 -0.19 2.01 -0.70 -4.97 115.64 117.61 2kk8 s THR 52 Ca 0.09 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.51 2kk8 s THR 52 Cb -0.25 -4.82 -0.00 0.00 0.01 0.00 0.00 72.50 67.43 2kk8 s THR 52 CO 0.05 -1.66 1.66 -0.76 -0.69 0.00 0.00 174.62 173.22 2kk8 s LEU 53 N 4.54 3.25 -0.56 4.42 1.43 -1.26 -2.37 118.68 128.14 2kk8 s LEU 53 Ca 0.31 -0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 2kk8 s LEU 53 Cb -0.10 -2.55 0.14 0.00 0.03 0.00 0.00 46.19 43.71 2kk8 s LEU 53 CO 0.06 -2.18 0.50 -0.63 0.23 0.00 0.00 176.35 174.34 2kk8 s ILE 54 N 7.80 5.11 -1.02 -0.59 1.01 -0.18 -0.64 121.20 132.70 2kk8 s ILE 54 Ca 0.56 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 2kk8 s ILE 54 Cb -0.09 -4.28 0.12 0.00 0.01 0.00 0.00 42.46 38.23 2kk8 s ILE 54 CO 0.13 -0.87 1.27 -0.69 0.00 0.00 0.00 174.94 174.77 2kk8 s VAL 55 N 1.44 4.65 -1.22 2.92 1.01 0.11 -0.24 120.40 129.07 2kk8 s VAL 55 Ca 0.05 -1.70 -0.16 0.00 0.00 0.00 0.00 61.98 60.17 2kk8 s VAL 55 Cb -0.28 -4.87 -0.00 0.00 0.00 0.00 0.00 36.38 31.23 2kk8 s VAL 55 CO 0.02 -1.62 0.69 -0.67 0.00 0.00 0.00 175.10 173.52 2kk8 n ASP 56 N 6.78 -3.81 0.00 3.32 -0.08 0.34 -2.55 116.55 120.55 2kk8 n ASP 56 Ca 0.29 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.55 2kk8 n ASP 56 Cb 0.48 -3.24 0.00 0.00 2.34 0.00 0.00 41.12 40.70 2kk8 n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kk8 n GLY 57 N -1.77 3.09 3.68 0.27 0.00 -1.26 -5.03 105.19 104.16 2kk8 n GLY 57 Ca -0.16 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 2kk8 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kk8 s ILE 58 N -0.35 5.15 0.00 -0.61 1.01 -1.06 -5.00 121.20 120.34 2kk8 s ILE 58 Ca 0.00 0.90 -0.28 0.00 0.00 0.00 0.00 60.65 61.27 2kk8 s ILE 58 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2kk8 s ILE 58 CO 0.00 0.23 0.90 0.54 0.00 0.00 0.00 174.94 176.61 2kk8 s VAL 59 N 1.29 4.86 -0.34 2.92 0.11 -1.26 0.04 120.40 128.03 2kk8 s VAL 59 Ca 0.23 1.89 -0.15 0.00 -2.93 0.00 0.00 61.98 61.02 2kk8 s VAL 59 Cb -0.15 -4.24 -0.01 0.00 -1.53 0.00 0.00 36.38 30.44 2kk8 s VAL 59 CO 0.09 0.21 0.34 -0.63 -3.33 0.00 0.00 175.10 171.79 2kk8 s ILE 60 N 0.76 5.19 -0.48 7.04 -1.09 0.19 -4.89 121.20 127.92 2kk8 s ILE 60 Ca 0.47 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.96 2kk8 s ILE 60 Cb -0.20 -3.80 0.07 0.00 -1.58 0.00 0.00 42.46 36.95 2kk8 s ILE 60 CO 0.26 -0.07 0.84 0.18 -1.23 0.00 0.00 174.94 174.92 2kk8 n LEU 61 N 5.34 1.81 -4.47 2.97 4.77 -1.26 -4.58 117.00 121.59 2kk8 n LEU 61 Ca -0.10 -1.44 -0.44 0.00 -0.03 0.00 0.00 56.01 54.01 2kk8 n LEU 61 Cb 0.49 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2kk8 n LEU 61 CO 0.40 0.43 1.23 -0.13 -1.33 0.00 0.00 177.39 177.99 2kk8 s ARG 62 N -0.65 3.85 0.38 3.23 1.81 -1.26 -4.74 118.95 121.57 2kk8 s ARG 62 Ca 0.07 -2.15 0.27 0.00 -1.72 0.00 0.00 55.73 52.21 2kk8 s ARG 62 Cb 0.04 -5.02 1.00 0.00 -0.45 0.00 0.00 34.95 30.52 2kk8 s ARG 62 CO 0.06 -1.80 1.80 0.93 -0.68 0.00 0.00 175.30 175.61 2kk8 h GLU 63 N 8.00 0.00 0.00 3.54 5.08 -1.91 -2.75 114.58 126.55 2kk8 h GLU 63 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2kk8 h GLU 63 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2kk8 h GLU 63 CO 1.20 0.00 -0.05 0.22 -1.00 0.00 0.00 179.01 179.37 2kk8 h ASP 64 N 0.00 0.00 -1.39 1.42 3.58 -1.91 -3.27 116.42 114.85 2kk8 h ASP 64 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 2kk8 h ASP 64 Cb 0.56 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.65 2kk8 h ASP 64 CO 0.00 0.05 -0.11 -0.76 -2.88 0.00 0.00 179.24 175.55 2kk8 s LEU 65 N -6.52 3.27 0.49 2.28 1.43 -1.04 -4.93 118.68 113.66 2kk8 s LEU 65 Ca -0.01 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2kk8 s LEU 65 Cb 0.11 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2kk8 s LEU 65 CO 0.53 -1.23 0.03 0.42 0.23 0.00 0.00 176.35 176.34 2kk8 s THR 66 N -2.66 1.37 0.25 5.49 -4.23 -1.26 -0.44 115.64 114.17 2kk8 s THR 66 Ca 0.60 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2kk8 s THR 66 Cb -0.07 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.49 2kk8 s THR 66 CO 0.38 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.73 2kk8 h VAL 67 N 1.39 1.26 -0.20 2.29 2.07 -1.37 -3.09 116.25 118.60 2kk8 h VAL 67 Ca -0.44 -1.24 -0.21 0.00 0.82 0.00 0.00 66.70 65.64 2kk8 h VAL 67 Cb 1.30 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2kk8 h VAL 67 CO 0.74 0.41 -0.68 -0.08 0.02 0.00 0.00 177.57 177.98 2kk8 h GLU 68 N 0.59 0.80 -0.32 1.57 4.81 -1.80 -1.88 114.58 118.34 2kk8 h GLU 68 Ca 0.09 -0.59 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2kk8 h GLU 68 Cb 0.65 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 2kk8 h GLU 68 CO 0.05 1.21 0.10 0.37 -0.73 0.00 0.00 179.01 180.01 2kk8 h GLN 69 N 0.58 0.23 -0.00 1.92 -0.00 -1.85 -1.20 115.11 114.78 2kk8 h GLN 69 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2kk8 h GLN 69 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.72 2kk8 h GLN 69 CO 0.14 0.15 -0.03 0.00 0.00 0.00 0.00 178.83 179.09 2kk8 n GLN 71 N -0.83 -2.43 -2.56 0.00 1.13 -0.46 -4.92 117.38 107.31 2kk8 n GLN 71 Ca 0.19 0.66 -0.42 0.00 -1.94 0.00 0.00 57.00 55.49 2kk8 n GLN 71 Cb 0.22 -5.03 -0.03 0.00 0.11 0.00 0.00 30.24 25.51 2kk8 n GLN 71 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2kk8 s ILE 72 N -3.47 4.46 0.12 5.09 1.01 -0.73 -5.04 121.20 122.65 2kk8 s ILE 72 Ca 0.37 1.77 0.05 0.00 0.00 0.00 0.00 60.65 62.84 2kk8 s ILE 72 Cb -0.09 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2kk8 s ILE 72 CO 0.80 0.09 -0.11 0.68 0.00 0.00 0.00 174.94 176.40 2kk8 s VAL 73 N 1.38 1.15 -0.77 2.92 -7.23 -1.26 -4.96 120.40 111.64 2kk8 s VAL 73 Ca 0.54 -1.80 0.09 0.00 -1.81 0.00 0.00 61.98 59.00 2kk8 s VAL 73 Cb -0.24 -1.58 0.09 0.00 0.56 0.00 0.00 36.38 35.21 2kk8 s VAL 73 CO 0.26 -0.57 1.27 -2.65 -0.31 0.00 0.00 175.10 173.10 2kk8 n PRO 74 N 0.30 0.05 0.16 4.82 -0.02 -1.26 -1.90 135.00 137.16 2kk8 n PRO 74 Ca -0.14 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 2kk8 n PRO 74 Cb 0.58 -1.64 0.11 0.00 -0.02 0.00 0.00 33.50 32.53 2kk8 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kk8 h THR 75 N 0.00 0.68 -3.64 3.45 1.03 -2.00 -3.42 112.91 109.01 2kk8 h THR 75 Ca 0.00 -1.87 -0.62 0.00 -0.01 0.00 0.00 66.41 63.91 2kk8 h THR 75 Cb 0.06 2.27 -0.12 0.00 -1.07 0.00 0.00 68.15 69.28 2kk8 h THR 75 CO 0.00 0.37 0.45 -0.94 -0.01 0.00 0.00 175.52 175.39 2kk8 s SER 76 N -6.38 6.45 -0.36 0.00 1.04 -0.80 -4.98 113.70 108.66 2kk8 s SER 76 Ca 0.04 -0.01 -0.28 0.00 0.48 0.00 0.00 55.95 56.18 2kk8 s SER 76 Cb 0.07 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 2kk8 s SER 76 CO 0.72 -0.97 1.83 -0.62 0.98 0.00 0.00 173.24 175.18 2kk8 s ASP 77 N 2.18 5.78 -0.54 7.02 2.15 -1.26 -4.90 116.67 127.11 2kk8 s ASP 77 Ca 0.33 1.20 -0.18 0.00 0.43 0.00 0.00 52.55 54.33 2kk8 s ASP 77 Cb -0.11 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 40.07 2kk8 s ASP 77 CO 0.24 -1.82 0.60 -0.63 -0.17 0.00 0.00 175.17 173.39 2kk8 s ILE 78 N 7.28 4.97 0.19 4.11 1.01 -1.26 -0.50 121.20 136.99 2kk8 s ILE 78 Ca 0.79 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.55 2kk8 s ILE 78 Cb -0.21 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2kk8 s ILE 78 CO 0.32 -0.90 0.16 0.00 0.00 0.00 0.00 174.94 174.52 2kk8 s GLN 79 N 2.32 2.93 -0.12 2.79 -2.07 0.67 -2.81 119.66 123.35 2kk8 s GLN 79 Ca 0.10 -0.91 -0.02 0.00 -1.82 0.00 0.00 55.36 52.71 2kk8 s GLN 79 Cb -0.24 -2.63 -0.03 0.00 -1.09 0.00 0.00 33.01 29.02 2kk8 s GLN 79 CO 0.07 0.46 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.94 2kk8 s LEU 80 N -3.33 3.20 -0.14 2.60 1.43 0.65 -1.01 118.68 122.07 2kk8 s LEU 80 Ca 0.32 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2kk8 s LEU 80 Cb -0.09 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2kk8 s LEU 80 CO 0.24 0.24 -0.14 -0.70 0.23 0.00 0.00 176.35 176.22 2kk8 s GLU 81 N -0.06 3.29 -0.24 1.70 2.12 -1.00 -1.23 118.70 123.28 2kk8 s GLU 81 Ca 0.01 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.33 2kk8 s GLU 81 Cb -0.13 -2.63 0.01 0.00 0.26 0.00 0.00 34.13 31.63 2kk8 s GLU 81 CO 0.03 0.10 1.12 0.54 -0.54 0.00 0.00 175.26 176.51 2kk8 s VAL 82 N 0.61 4.51 -0.59 3.70 0.11 -1.26 -1.73 120.40 125.76 2kk8 s VAL 82 Ca -0.08 1.80 -0.28 0.00 -2.93 0.00 0.00 61.98 60.50 2kk8 s VAL 82 Cb -0.16 -4.26 0.01 0.00 -1.53 0.00 0.00 36.38 30.45 2kk8 s VAL 82 CO 0.03 -0.26 1.45 -0.55 -3.33 0.00 0.00 175.10 172.43 2kk8 s SER 83 N 1.59 6.04 0.00 3.54 0.15 -0.13 -4.98 113.70 119.91 2kk8 s SER 83 Ca 0.48 0.20 0.26 0.00 0.70 0.00 0.00 55.95 57.58 2kk8 s SER 83 Cb -0.16 -2.55 1.54 0.00 -1.71 0.00 0.00 66.02 63.15 2kk8 s SER 83 CO 0.11 -1.80 1.90 -1.20 1.20 0.00 0.00 173.24 173.45