#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 -1.52 3.55 -5.12 0.00 -1.26 -4.89 105.19 95.96 2kk8 n GLY 2 Ca 0.00 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 2kk8 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kk8 s HIS 3 N 0.00 1.95 -0.62 1.61 5.65 -1.26 -4.87 115.29 117.75 2kk8 s HIS 3 Ca 0.00 0.35 -0.26 0.00 0.25 0.00 0.00 55.06 55.40 2kk8 s HIS 3 Cb 0.00 -4.28 -0.10 0.00 -1.18 0.00 0.00 32.58 27.02 2kk8 s HIS 3 CO 0.00 -2.07 2.43 -2.39 -0.65 0.00 0.00 174.74 172.05 2kk8 n HIS 4 N 11.81 1.28 -3.88 3.88 -0.00 -1.26 -4.88 115.22 122.16 2kk8 n HIS 4 Ca 0.23 0.08 -0.11 0.00 -0.00 0.00 0.00 57.72 57.92 2kk8 n HIS 4 Cb 0.50 -2.58 -0.13 0.00 -0.00 0.00 0.00 29.99 27.78 2kk8 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 5 N 12.76 0.03 -0.08 -1.40 4.02 -1.26 -5.11 115.29 124.25 2kk8 s HIS 5 Ca 0.99 -0.05 -0.32 0.00 1.02 0.00 0.00 55.06 56.70 2kk8 s HIS 5 Cb -0.22 -0.04 -0.10 0.00 -1.02 0.00 0.00 32.58 31.21 2kk8 s HIS 5 CO 0.22 -0.09 2.00 1.58 1.02 0.00 0.00 174.74 179.46 2kk8 n HIS 6 N 2.53 2.29 -2.60 1.40 -0.00 -1.26 -4.95 115.22 112.63 2kk8 n HIS 6 Ca -0.16 -0.15 -0.29 0.00 -0.00 0.00 0.00 57.72 57.11 2kk8 n HIS 6 Cb 0.58 -2.72 -0.01 0.00 -0.00 0.00 0.00 29.99 27.84 2kk8 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 7 N 5.19 3.53 -0.28 1.57 4.02 -1.26 -4.99 115.29 123.08 2kk8 s HIS 7 Ca 0.94 1.00 0.10 0.00 1.02 0.00 0.00 55.06 58.12 2kk8 s HIS 7 Cb -0.54 -2.44 0.50 0.00 -1.02 0.00 0.00 32.58 29.08 2kk8 s HIS 7 CO 0.45 -0.27 1.44 1.58 1.02 0.00 0.00 174.74 178.96 2kk8 n HIS 8 N -1.92 0.98 -2.19 1.40 -0.00 -1.26 -4.95 115.22 107.29 2kk8 n HIS 8 Ca 0.02 -1.55 -0.34 0.00 -0.00 0.00 0.00 57.72 55.86 2kk8 n HIS 8 Cb 0.54 -0.46 -0.04 0.00 -0.00 0.00 0.00 29.99 30.03 2kk8 n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kk8 n SER 9 N -1.09 3.65 0.00 0.26 7.64 -1.26 -4.69 113.62 118.12 2kk8 n SER 9 Ca 0.31 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.42 2kk8 n SER 9 Cb 1.00 -1.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 2kk8 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk8 n HIS 10 N 12.16 0.00 -3.87 1.43 -0.00 -1.26 -4.81 115.22 118.87 2kk8 n HIS 10 Ca 0.46 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.90 2kk8 n HIS 10 Cb 0.46 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.29 2kk8 n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2kk8 s MET 11 N -0.04 1.30 -1.21 -1.40 1.00 0.12 -4.98 119.30 114.09 2kk8 s MET 11 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 55.69 54.95 2kk8 s MET 11 Cb 0.00 -2.11 0.11 0.00 0.00 0.00 0.00 34.83 32.83 2kk8 s MET 11 CO 0.00 -0.50 1.54 0.15 0.00 0.00 0.00 175.02 176.21 2kk8 s LYS 12 N 1.64 3.96 0.21 2.03 1.02 -1.25 -1.33 119.74 126.02 2kk8 s LYS 12 Ca -0.01 -2.13 -0.21 0.00 0.02 0.00 0.00 55.97 53.64 2kk8 s LYS 12 Cb -0.16 -5.29 -0.08 0.00 -0.52 0.00 0.00 37.83 31.78 2kk8 s LYS 12 CO -0.07 -2.02 0.74 -0.59 -0.92 0.00 0.00 175.35 172.49 2kk8 s PHE 13 N 3.14 3.72 -0.59 3.18 -0.71 -0.48 -4.58 117.98 121.66 2kk8 s PHE 13 Ca 0.47 1.47 -0.24 0.00 -1.04 0.00 0.00 56.93 57.59 2kk8 s PHE 13 Cb 0.00 -2.67 0.05 0.00 -1.21 0.00 0.00 43.02 39.19 2kk8 s PHE 13 CO 0.02 0.38 0.97 -1.17 -1.34 0.00 0.00 175.22 174.08 2kk8 s LEU 14 N -1.74 4.13 -0.46 -1.99 2.96 -1.26 -0.68 118.68 119.65 2kk8 s LEU 14 Ca 0.41 -0.54 -0.16 0.00 -0.22 0.00 0.00 54.13 53.61 2kk8 s LEU 14 Cb -0.18 -2.69 0.05 0.00 0.50 0.00 0.00 46.19 43.86 2kk8 s LEU 14 CO 0.22 -1.33 0.41 0.68 -1.32 0.00 0.00 176.35 175.02 2kk8 s VAL 15 N 4.09 5.17 -0.77 1.68 -7.23 -0.09 -4.71 120.40 118.54 2kk8 s VAL 15 Ca 0.28 -0.78 -0.21 0.00 -1.81 0.00 0.00 61.98 59.47 2kk8 s VAL 15 Cb -0.14 -4.09 0.10 0.00 0.56 0.00 0.00 36.38 32.81 2kk8 s VAL 15 CO 0.16 -0.53 1.01 -0.70 -0.31 0.00 0.00 175.10 174.73 2kk8 s GLU 16 N 1.87 3.31 -0.30 4.82 2.12 -1.18 -1.71 118.70 127.63 2kk8 s GLU 16 Ca 0.07 -1.28 -0.29 0.00 0.36 0.00 0.00 54.97 53.83 2kk8 s GLU 16 Cb -0.21 -4.53 0.02 0.00 0.26 0.00 0.00 34.13 29.66 2kk8 s GLU 16 CO 0.09 -1.77 1.07 1.21 -0.54 0.00 0.00 175.26 175.33 2kk8 s ASN 17 N 3.66 6.96 0.50 -1.70 2.47 -0.44 -2.80 114.94 123.60 2kk8 s ASN 17 Ca 0.26 1.11 0.27 0.00 0.42 0.00 0.00 52.86 54.91 2kk8 s ASN 17 Cb -0.12 -2.54 1.34 0.00 -1.45 0.00 0.00 41.25 38.47 2kk8 s ASN 17 CO 0.01 -0.85 2.02 0.25 -3.72 0.00 0.00 177.10 174.81 2kk8 h LEU 18 N 10.00 0.00 -3.33 3.21 5.85 -1.83 0.01 115.31 129.20 2kk8 h LEU 18 Ca -0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2kk8 h LEU 18 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2kk8 h LEU 18 CO 1.02 0.14 0.00 0.59 -0.34 0.00 0.00 178.44 179.86 2kk8 n ASN 19 N -3.58 4.75 0.00 1.25 4.13 -1.26 -4.89 115.26 115.66 2kk8 n ASN 19 Ca -0.01 -2.79 0.00 0.00 1.68 0.00 0.00 54.58 53.45 2kk8 n ASN 19 Cb 0.28 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 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 0.36 1.77 3.39 7.41 0.00 -0.06 -5.09 105.19 112.97 2kk8 n GLY 20 Ca 0.24 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 1.27 -0.18 -1.06 1.61 1.04 -0.93 -4.92 113.70 110.53 2kk8 s SER 21 Ca 0.00 -0.49 -0.21 0.00 0.48 0.00 0.00 55.95 55.73 2kk8 s SER 21 Cb 0.00 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 2kk8 s SER 21 CO 0.00 -0.92 1.45 -0.44 0.98 0.00 0.00 173.24 174.31 2kk8 s SER 22 N -2.86 6.60 -0.17 7.02 0.01 -1.26 -1.33 113.70 121.71 2kk8 s SER 22 Ca 0.08 -1.76 -0.08 0.00 1.31 0.00 0.00 55.95 55.49 2kk8 s SER 22 Cb 0.01 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2kk8 s SER 22 CO -0.07 -1.36 0.11 0.12 0.41 0.00 0.00 173.24 172.46 2kk8 s PHE 23 N 4.40 3.42 -0.69 2.43 5.36 -0.69 -4.90 117.98 127.31 2kk8 s PHE 23 Ca 0.45 0.33 -0.24 0.00 -0.96 0.00 0.00 56.93 56.52 2kk8 s PHE 23 Cb -0.00 -2.06 0.06 0.00 -0.34 0.00 0.00 43.02 40.68 2kk8 s PHE 23 CO -0.06 0.40 1.05 -2.00 -1.46 0.00 0.00 175.22 173.15 2kk8 s GLU 24 N -0.10 3.14 -0.20 10.12 2.12 -1.26 -0.91 118.70 131.62 2kk8 s GLU 24 Ca 0.09 -0.70 -0.13 0.00 0.36 0.00 0.00 54.97 54.59 2kk8 s GLU 24 Cb -0.12 -4.24 -0.05 0.00 0.26 0.00 0.00 34.13 29.99 2kk8 s GLU 24 CO 0.00 -1.90 0.26 -1.17 -0.54 0.00 0.00 175.26 171.91 2kk8 s LEU 25 N 4.47 4.18 -0.59 2.70 0.20 0.15 -4.82 118.68 124.97 2kk8 s LEU 25 Ca 0.26 0.37 -0.27 0.00 0.69 0.00 0.00 54.13 55.17 2kk8 s LEU 25 Cb -0.14 -2.30 0.03 0.00 -0.43 0.00 0.00 46.19 43.35 2kk8 s LEU 25 CO 0.11 0.06 1.15 -0.70 -0.29 0.00 0.00 176.35 176.68 2kk8 s GLU 26 N 0.81 3.45 0.27 1.98 2.56 -1.26 -1.38 118.70 125.13 2kk8 s GLU 26 Ca 0.14 0.10 0.11 0.00 0.00 0.00 0.00 54.97 55.32 2kk8 s GLU 26 Cb -0.13 -4.04 -0.05 0.00 2.00 0.00 0.00 34.13 31.91 2kk8 s GLU 26 CO 0.04 -1.69 -0.18 0.14 -0.56 0.00 0.00 175.26 173.01 2kk8 s VAL 27 N 4.84 2.31 0.23 3.70 -7.23 -0.44 -4.96 120.40 118.85 2kk8 s VAL 27 Ca 0.40 -2.35 0.09 0.00 -1.81 0.00 0.00 61.98 58.31 2kk8 s VAL 27 Cb -0.08 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2kk8 s VAL 27 CO 0.23 -0.41 -0.05 -0.62 -0.31 0.00 0.00 175.10 173.94 2kk8 s ASP 28 N -3.49 4.36 0.21 4.85 -1.08 -1.26 0.12 116.67 120.38 2kk8 s ASP 28 Ca 0.29 -0.65 0.23 0.00 -0.52 0.00 0.00 52.55 51.91 2kk8 s ASP 28 Cb -0.03 -0.76 0.92 0.00 -1.46 0.00 0.00 42.92 41.59 2kk8 s ASP 28 CO 0.14 0.04 1.71 -1.22 0.52 0.00 0.00 175.17 176.36 2kk8 n TYR 29 N -0.51 0.72 1.11 -5.34 4.01 -1.26 -1.89 117.16 114.01 2kk8 n TYR 29 Ca -0.08 0.26 0.10 0.00 -0.16 0.00 0.00 57.90 58.03 2kk8 n TYR 29 Cb 0.58 -0.93 0.34 0.00 -0.31 0.00 0.00 39.34 39.02 2kk8 n TYR 29 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kk8 n ARG 30 N -2.14 1.80 -3.31 -0.72 1.74 -1.26 -0.99 116.66 111.77 2kk8 n ARG 30 Ca 0.03 -1.21 -0.30 0.00 -0.77 0.00 0.00 57.85 55.60 2kk8 n ARG 30 Cb 0.27 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 2kk8 n ARG 30 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kk8 s ASP 31 N -1.50 6.54 0.18 0.55 1.01 -0.79 -4.92 116.67 117.74 2kk8 s ASP 31 Ca 0.32 0.87 0.04 0.00 0.71 0.00 0.00 52.55 54.49 2kk8 s ASP 31 Cb 0.17 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 2kk8 s ASP 31 CO 0.26 -0.16 0.24 -0.89 0.21 0.00 0.00 175.17 174.82 2kk8 s THR 32 N -1.99 4.94 0.28 -1.27 2.01 -1.26 0.09 115.64 118.44 2kk8 s THR 32 Ca 0.47 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 2kk8 s THR 32 Cb -0.11 -3.58 0.27 0.00 0.01 0.00 0.00 72.50 69.09 2kk8 s THR 32 CO 0.26 -0.17 1.92 0.25 -0.69 0.00 0.00 174.62 176.19 2kk8 h LEU 33 N 1.98 1.00 -2.28 4.42 5.85 -1.15 0.14 115.31 125.26 2kk8 h LEU 33 Ca -0.49 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2kk8 h LEU 33 Cb 1.21 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2kk8 h LEU 33 CO 0.65 0.68 -0.03 0.25 -0.34 0.00 0.00 178.44 179.64 2kk8 h LEU 34 N 1.15 0.00 0.07 2.25 5.85 -1.19 -2.60 115.31 120.83 2kk8 h LEU 34 Ca 0.37 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.78 2kk8 h LEU 34 Cb 0.04 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2kk8 h LEU 34 CO -0.12 0.03 -1.73 0.58 -0.34 0.00 0.00 178.44 176.86 2kk8 h VAL 35 N 0.00 0.87 0.00 1.05 2.07 -1.06 -3.32 116.25 115.87 2kk8 h VAL 35 Ca -0.00 -2.63 -0.08 0.00 0.82 0.00 0.00 66.70 64.81 2kk8 h VAL 35 Cb 0.22 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2kk8 h VAL 35 CO 0.00 0.71 -0.36 1.62 0.02 0.00 0.00 177.57 179.56 2kk8 h VAL 36 N 0.04 1.24 -0.68 2.57 3.04 -0.87 -1.38 116.25 120.21 2kk8 h VAL 36 Ca -0.31 -1.23 -0.00 0.00 -1.01 0.00 0.00 66.70 64.14 2kk8 h VAL 36 Cb 2.01 1.67 -0.03 0.00 -2.01 0.00 0.00 31.29 32.93 2kk8 h VAL 36 CO 0.10 0.35 0.41 0.11 -1.01 0.00 0.00 177.57 177.53 2kk8 h LYS 37 N 0.00 0.91 0.00 4.17 1.57 -1.61 -0.13 116.57 121.48 2kk8 h LYS 37 Ca -0.00 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2kk8 h LYS 37 Cb 0.64 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2kk8 h LYS 37 CO 0.05 0.64 -0.38 1.96 -0.57 0.00 0.00 179.45 181.14 2kk8 h GLN 38 N 0.93 0.00 -0.05 3.15 4.20 -1.36 -0.75 115.11 121.23 2kk8 h GLN 38 Ca 0.24 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.78 2kk8 h GLN 38 Cb -0.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.75 2kk8 h GLN 38 CO -0.05 0.38 -0.64 0.87 -0.67 0.00 0.00 178.83 178.72 2kk8 h LYS 39 N 0.00 0.51 -0.11 1.46 1.57 -0.89 -3.28 116.57 115.83 2kk8 h LYS 39 Ca -0.00 -0.49 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 2kk8 h LYS 39 Cb 0.80 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2kk8 h LYS 39 CO 0.05 1.13 -0.29 0.82 -0.57 0.00 0.00 179.45 180.58 2kk8 h ILE 40 N 0.08 1.25 0.00 1.86 2.04 -0.75 -1.90 117.51 120.10 2kk8 h ILE 40 Ca -0.07 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2kk8 h ILE 40 Cb 1.31 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 2kk8 h ILE 40 CO 0.13 0.36 -0.07 -0.08 0.00 0.00 0.00 178.15 178.49 2kk8 h GLU 41 N 0.18 0.00 0.05 2.37 4.81 -1.20 0.27 114.58 121.07 2kk8 h GLU 41 Ca 0.03 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.89 2kk8 h GLU 41 Cb 0.62 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 2kk8 h GLU 41 CO 0.04 0.07 -2.08 -2.13 -0.73 0.00 0.00 179.01 174.18 2kk8 n ARG 42 N -3.66 0.67 -0.03 1.92 0.63 -0.98 -2.75 116.66 112.46 2kk8 n ARG 42 Ca -0.02 0.29 -0.15 0.00 -0.92 0.00 0.00 57.85 57.05 2kk8 n ARG 42 Cb 0.17 -1.63 -0.10 0.00 0.45 0.00 0.00 32.46 31.35 2kk8 n ARG 42 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2kk8 h SER 43 N -0.32 0.35 0.25 6.15 4.64 -1.11 -3.25 113.55 120.26 2kk8 h SER 43 Ca -0.50 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.15 2kk8 h SER 43 Cb 1.79 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2kk8 h SER 43 CO -0.10 0.97 -0.79 0.00 -0.87 0.00 0.00 176.83 176.04 2kk8 n GLN 44 N -4.46 0.02 -1.10 4.77 1.13 0.93 -4.95 117.38 113.73 2kk8 n GLN 44 Ca -0.09 -0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.94 2kk8 n GLN 44 Cb 0.50 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 29.33 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 -1.54 0.00 -3.50 1.08 8.25 -1.02 -4.94 115.22 113.55 2kk8 n HIS 45 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 2kk8 n HIS 45 Cb 0.34 -1.50 -0.07 0.00 1.12 0.00 0.00 29.99 29.88 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 -1.69 5.29 0.44 1.59 -4.36 -1.23 -4.92 121.20 116.32 2kk8 s ILE 46 Ca 0.00 0.61 -0.25 0.00 -0.26 0.00 0.00 60.65 60.75 2kk8 s ILE 46 Cb 0.00 -3.66 -0.09 0.00 1.25 0.00 0.00 42.46 39.96 2kk8 s ILE 46 CO 0.00 0.37 1.19 -2.65 0.24 0.00 0.00 174.94 174.09 2kk8 n PRO 47 N 3.64 1.70 -0.32 0.37 -0.02 -1.26 -3.67 135.00 135.43 2kk8 n PRO 47 Ca -0.11 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.13 2kk8 n PRO 47 Cb 0.52 -2.29 0.38 0.00 -0.02 0.00 0.00 33.50 32.09 2kk8 n PRO 47 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kk8 h VAL 48 N 1.81 0.69 0.00 -1.45 2.07 -1.95 0.91 116.25 118.34 2kk8 h VAL 48 Ca -0.47 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2kk8 h VAL 48 Cb 1.31 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2kk8 h VAL 48 CO 0.58 0.12 0.00 -1.20 0.02 0.00 0.00 177.57 177.09 2kk8 n SER 49 N -4.68 0.00 -0.20 0.57 7.64 -1.26 -2.25 113.62 113.44 2kk8 n SER 49 Ca 0.22 -0.12 0.02 0.00 1.01 0.00 0.00 58.87 60.00 2kk8 n SER 49 Cb 0.62 -0.23 0.04 0.00 -1.01 0.00 0.00 64.21 63.63 2kk8 n SER 49 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kk8 n LYS 50 N -1.23 1.13 -3.01 1.43 5.02 0.30 -4.92 118.16 116.88 2kk8 n LYS 50 Ca 0.11 -1.19 -0.44 0.00 -2.02 0.00 0.00 58.31 54.77 2kk8 n LYS 50 Cb 0.14 -1.09 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 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 -0.65 3.13 -0.75 1.97 -0.21 -0.95 -1.15 119.66 121.04 2kk8 s GLN 51 Ca 0.07 -0.89 -0.21 0.00 0.02 0.00 0.00 55.36 54.35 2kk8 s GLN 51 Cb 0.04 -4.17 0.10 0.00 1.00 0.00 0.00 33.01 29.97 2kk8 s GLN 51 CO 0.06 -1.52 0.99 0.99 -2.12 0.00 0.00 175.29 173.69 2kk8 s THR 52 N 3.26 4.54 -1.04 -0.19 2.01 -0.72 -4.97 115.64 118.53 2kk8 s THR 52 Ca 0.18 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 61.05 2kk8 s THR 52 Cb -0.19 -4.70 0.03 0.00 0.01 0.00 0.00 72.50 67.66 2kk8 s THR 52 CO 0.11 -1.44 1.58 -0.76 -0.69 0.00 0.00 174.62 173.43 2kk8 s LEU 53 N 3.36 3.48 -0.49 4.42 1.43 -1.26 -2.79 118.68 126.82 2kk8 s LEU 53 Ca 0.25 -1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 51.69 2kk8 s LEU 53 Cb -0.13 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.56 2kk8 s LEU 53 CO 0.02 -1.72 0.68 -0.63 0.23 0.00 0.00 176.35 174.94 2kk8 s ILE 54 N 5.90 4.78 -0.22 -0.59 1.01 -1.24 -0.46 121.20 130.38 2kk8 s ILE 54 Ca 0.52 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 2kk8 s ILE 54 Cb -0.01 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2kk8 s ILE 54 CO -0.06 -0.80 0.05 -0.69 0.00 0.00 0.00 174.94 173.44 2kk8 s VAL 55 N 2.91 4.32 0.00 2.92 1.01 -0.09 -2.21 120.40 129.25 2kk8 s VAL 55 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2kk8 s VAL 55 Cb -0.17 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2kk8 s VAL 55 CO 0.15 0.39 0.00 0.47 0.00 0.00 0.00 175.10 176.11 2kk8 n ASP 56 N 4.40 0.00 -0.22 3.32 8.00 0.15 -1.99 116.55 130.21 2kk8 n ASP 56 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2kk8 n ASP 56 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2kk8 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kk8 n GLY 57 N 0.00 0.87 2.98 0.44 0.00 -1.26 -4.70 105.19 103.52 2kk8 n GLY 57 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.80 -0.06 -0.61 -1.09 -0.84 -5.09 121.20 114.31 2kk8 s ILE 58 Ca 0.00 -0.32 -0.30 0.00 -2.23 0.00 0.00 60.65 57.80 2kk8 s ILE 58 Cb 0.00 -0.74 -0.04 0.00 -1.58 0.00 0.00 42.46 40.10 2kk8 s ILE 58 CO 0.00 0.27 1.26 0.54 -1.23 0.00 0.00 174.94 175.78 2kk8 s VAL 59 N 0.50 4.12 -0.38 2.92 0.11 -1.26 -0.92 120.40 125.50 2kk8 s VAL 59 Ca -0.08 1.45 -0.28 0.00 -2.93 0.00 0.00 61.98 60.14 2kk8 s VAL 59 Cb -0.12 -3.93 0.02 0.00 -1.53 0.00 0.00 36.38 30.82 2kk8 s VAL 59 CO 0.01 -0.02 1.06 -0.63 -3.33 0.00 0.00 175.10 172.20 2kk8 s ILE 60 N 2.43 4.43 -0.81 7.04 -1.09 0.39 -4.87 121.20 128.72 2kk8 s ILE 60 Ca 0.58 1.46 0.22 0.00 -2.23 0.00 0.00 60.65 60.68 2kk8 s ILE 60 Cb -0.26 -4.46 -0.18 0.00 -1.58 0.00 0.00 42.46 35.98 2kk8 s ILE 60 CO 0.22 -0.66 0.97 0.18 -1.23 0.00 0.00 174.94 174.42 2kk8 n LEU 61 N 7.15 0.73 -4.52 2.97 4.77 -1.26 -4.70 117.00 122.14 2kk8 n LEU 61 Ca 0.11 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.40 2kk8 n LEU 61 Cb 0.48 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2kk8 n LEU 61 CO 0.63 0.16 1.46 -0.13 -1.33 0.00 0.00 177.39 178.17 2kk8 s ARG 62 N -3.10 3.80 0.18 3.23 1.81 -1.26 -4.79 118.95 118.83 2kk8 s ARG 62 Ca 0.06 -1.82 0.26 0.00 -1.72 0.00 0.00 55.73 52.51 2kk8 s ARG 62 Cb 0.16 -5.23 0.89 0.00 -0.45 0.00 0.00 34.95 30.32 2kk8 s ARG 62 CO 0.83 -2.01 1.78 0.39 -0.68 0.00 0.00 175.30 175.61 2kk8 n GLU 63 N 7.46 0.21 -0.21 3.54 1.02 -1.26 -2.98 120.64 128.42 2kk8 n GLU 63 Ca 0.35 0.22 0.08 0.00 -0.02 0.00 0.00 57.16 57.79 2kk8 n GLU 63 Cb 0.47 -1.77 0.22 0.00 -0.02 0.00 0.00 31.44 30.35 2kk8 n GLU 63 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kk8 n ASP 64 N -2.14 2.41 -4.72 1.62 5.75 -1.26 -0.71 116.55 117.50 2kk8 n ASP 64 Ca 0.05 -1.97 -0.39 0.00 -0.01 0.00 0.00 54.79 52.47 2kk8 n ASP 64 Cb 0.38 -0.28 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 2kk8 n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kk8 s LEU 65 N -1.08 4.29 0.43 -2.12 1.43 -1.16 -4.90 118.68 115.58 2kk8 s LEU 65 Ca 0.31 1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 54.19 2kk8 s LEU 65 Cb 0.16 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 2kk8 s LEU 65 CO 0.22 -0.07 1.09 -0.89 0.23 0.00 0.00 176.35 176.93 2kk8 s THR 66 N 0.74 3.51 0.28 5.49 2.01 -1.26 -1.19 115.64 125.21 2kk8 s THR 66 Ca 0.32 1.13 0.01 0.00 0.31 0.00 0.00 61.69 63.46 2kk8 s THR 66 Cb -0.16 -3.57 0.27 0.00 0.01 0.00 0.00 72.50 69.04 2kk8 s THR 66 CO 0.14 -0.02 1.82 0.58 -0.69 0.00 0.00 174.62 176.46 2kk8 h VAL 67 N 2.04 0.87 -0.30 3.82 2.07 -0.42 0.12 116.25 124.45 2kk8 h VAL 67 Ca -0.49 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 2kk8 h VAL 67 Cb 1.23 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2kk8 h VAL 67 CO 0.61 0.16 -0.17 -0.08 0.02 0.00 0.00 177.57 178.12 2kk8 h GLU 68 N 0.90 0.65 -0.42 1.57 4.81 -1.30 -0.62 114.58 120.17 2kk8 h GLU 68 Ca 0.49 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2kk8 h GLU 68 Cb 0.53 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2kk8 h GLU 68 CO -0.29 0.88 0.04 1.96 -0.73 0.00 0.00 179.01 180.88 2kk8 h GLN 69 N 0.40 0.66 0.00 1.92 4.20 -1.51 -1.59 115.11 119.20 2kk8 h GLN 69 Ca 0.06 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2kk8 h GLN 69 Cb 0.70 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2kk8 h GLN 69 CO 0.05 0.65 -0.18 0.00 -0.67 0.00 0.00 178.83 178.68 2kk8 n GLN 71 N -2.35 -7.52 -1.99 0.00 1.13 -0.29 -4.90 117.38 101.46 2kk8 n GLN 71 Ca 0.05 0.83 -0.43 0.00 -1.94 0.00 0.00 57.00 55.51 2kk8 n GLN 71 Cb 0.45 -5.86 -0.03 0.00 0.11 0.00 0.00 30.24 24.91 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 -3.33 3.50 -0.18 5.09 1.01 -0.89 -4.98 121.20 121.42 2kk8 s ILE 72 Ca 0.40 0.54 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 2kk8 s ILE 72 Cb -0.18 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2kk8 s ILE 72 CO 0.73 -0.29 0.13 0.68 0.00 0.00 0.00 174.94 176.18 2kk8 s VAL 73 N 6.10 5.40 0.00 2.92 -7.23 -1.26 -4.98 120.40 121.35 2kk8 s VAL 73 Ca 0.79 0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 61.13 2kk8 s VAL 73 Cb -0.26 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 2kk8 s VAL 73 CO 0.32 0.49 1.75 -2.65 -0.31 0.00 0.00 175.10 174.70 2kk8 n PRO 74 N 3.13 0.89 0.00 4.82 -0.02 -1.26 -3.08 135.00 139.48 2kk8 n PRO 74 Ca -0.17 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 2kk8 n PRO 74 Cb 0.53 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 2kk8 n PRO 74 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kk8 n THR 75 N 1.87 0.00 -2.76 3.45 5.66 -1.26 -4.74 114.28 116.49 2kk8 n THR 75 Ca 0.07 -0.26 -0.26 0.00 -3.05 0.00 0.00 64.05 60.56 2kk8 n THR 75 Cb 0.43 1.11 0.01 0.00 -1.55 0.00 0.00 70.33 70.33 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kk8 s SER 76 N -0.40 6.03 -0.58 1.09 1.04 -1.18 -5.01 113.70 114.68 2kk8 s SER 76 Ca 0.00 0.68 -0.28 0.00 0.48 0.00 0.00 55.95 56.83 2kk8 s SER 76 Cb 0.00 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 64.21 2kk8 s SER 76 CO 0.00 -0.67 1.16 -0.62 0.98 0.00 0.00 173.24 174.09 2kk8 s ASP 77 N -4.16 6.42 -0.41 7.02 2.15 -1.26 -4.83 116.67 121.59 2kk8 s ASP 77 Ca 0.48 0.02 -0.05 0.00 0.43 0.00 0.00 52.55 53.43 2kk8 s ASP 77 Cb -0.10 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.08 2kk8 s ASP 77 CO 0.42 -1.47 0.22 -0.63 -0.17 0.00 0.00 175.17 173.55 2kk8 s ILE 78 N 4.86 3.57 -0.29 4.11 1.01 -1.26 -0.67 121.20 132.52 2kk8 s ILE 78 Ca 0.41 -1.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.09 2kk8 s ILE 78 Cb -0.08 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2kk8 s ILE 78 CO 0.24 -0.64 0.16 -1.58 0.00 0.00 0.00 174.94 173.12 2kk8 s GLN 79 N 1.23 3.61 -0.39 2.79 0.74 -0.94 -3.13 119.66 123.57 2kk8 s GLN 79 Ca 0.06 -0.54 -0.26 0.00 0.05 0.00 0.00 55.36 54.67 2kk8 s GLN 79 Cb -0.23 -3.57 0.02 0.00 1.10 0.00 0.00 33.01 30.33 2kk8 s GLN 79 CO -0.02 -0.30 0.97 -0.51 -0.55 0.00 0.00 175.29 174.87 2kk8 s LEU 80 N 1.67 3.95 -0.32 3.68 1.43 -1.12 -3.60 118.68 124.38 2kk8 s LEU 80 Ca 0.06 0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 53.56 2kk8 s LEU 80 Cb -0.16 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 2kk8 s LEU 80 CO 0.08 -0.93 0.42 -0.70 0.23 0.00 0.00 176.35 175.45 2kk8 s GLU 81 N 3.64 3.76 -0.38 1.70 2.12 -1.12 -2.87 118.70 125.55 2kk8 s GLU 81 Ca 0.40 -0.15 -0.24 0.00 0.36 0.00 0.00 54.97 55.34 2kk8 s GLU 81 Cb -0.11 -3.75 0.01 0.00 0.26 0.00 0.00 34.13 30.54 2kk8 s GLU 81 CO 0.21 -0.47 0.84 0.08 -0.54 0.00 0.00 175.26 175.37 2kk8 s VAL 82 N 2.16 4.66 -0.38 3.70 1.01 -1.26 -1.76 120.40 128.54 2kk8 s VAL 82 Ca 0.15 0.94 -0.27 0.00 0.00 0.00 0.00 61.98 62.80 2kk8 s VAL 82 Cb -0.16 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 2kk8 s VAL 82 CO 0.11 -0.51 2.29 -0.55 0.00 0.00 0.00 175.10 176.45 2kk8 s SER 83 N 1.90 4.93 0.00 3.32 0.15 -0.30 -5.03 113.70 118.67 2kk8 s SER 83 Ca 0.34 1.40 0.29 0.00 0.70 0.00 0.00 55.95 58.67 2kk8 s SER 83 Cb -0.13 -2.51 1.17 0.00 -1.71 0.00 0.00 66.02 62.85 2kk8 s SER 83 CO 0.18 -2.45 1.81 -1.20 1.20 0.00 0.00 173.24 172.79