#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk8 s GLY 2 N 0.00 2.30 -0.31 -5.12 0.00 -1.26 -5.11 107.32 97.81 2kk8 s GLY 2 Ca 0.00 -2.12 -0.08 0.00 0.00 0.00 0.00 44.72 42.52 2kk8 s GLY 2 CO 0.00 -1.97 0.11 -2.38 0.00 0.00 0.00 173.10 168.86 2kk8 s HIS 3 N -2.61 3.18 0.08 1.90 0.00 -1.26 -5.08 115.29 111.50 2kk8 s HIS 3 Ca 0.37 -0.98 -0.13 0.00 -3.00 0.00 0.00 55.06 51.32 2kk8 s HIS 3 Cb 0.04 -2.29 -0.06 0.00 -4.00 0.00 0.00 32.58 26.27 2kk8 s HIS 3 CO 0.20 -0.59 0.46 -1.58 -1.00 0.00 0.00 174.74 172.23 2kk8 s HIS 4 N 1.51 3.64 -0.12 0.38 5.65 -1.26 -5.05 115.29 120.04 2kk8 s HIS 4 Ca 0.02 0.95 -0.28 0.00 0.25 0.00 0.00 55.06 56.00 2kk8 s HIS 4 Cb -0.18 -2.27 -0.01 0.00 -1.18 0.00 0.00 32.58 28.94 2kk8 s HIS 4 CO 0.04 0.53 0.96 -1.01 -0.65 0.00 0.00 174.74 174.60 2kk8 s HIS 5 N -1.32 3.49 -0.04 3.88 0.09 -1.26 -5.03 115.29 115.10 2kk8 s HIS 5 Ca 0.32 1.50 0.05 0.00 -0.00 0.00 0.00 55.06 56.94 2kk8 s HIS 5 Cb -0.15 -3.14 -0.01 0.00 -0.00 0.00 0.00 32.58 29.28 2kk8 s HIS 5 CO 0.17 -0.22 -0.20 -3.38 -0.00 0.00 0.00 174.74 171.11 2kk8 s HIS 6 N 2.03 1.88 -0.23 1.40 0.00 -1.26 -5.00 115.29 114.10 2kk8 s HIS 6 Ca 0.46 -0.48 0.10 0.00 -3.00 0.00 0.00 55.06 52.13 2kk8 s HIS 6 Cb -0.18 -1.24 0.43 0.00 -4.00 0.00 0.00 32.58 27.60 2kk8 s HIS 6 CO 0.16 -0.13 1.21 -2.39 -1.00 0.00 0.00 174.74 172.59 2kk8 n HIS 7 N 2.92 0.97 0.12 0.38 -0.00 -1.26 -4.72 115.22 113.62 2kk8 n HIS 7 Ca -0.17 -1.74 -0.02 0.00 -0.00 0.00 0.00 57.72 55.79 2kk8 n HIS 7 Cb 0.53 -0.28 0.13 0.00 -0.00 0.00 0.00 29.99 30.37 2kk8 n HIS 7 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kk8 h HIS 8 N 1.42 0.02 -4.03 -1.40 -0.00 -2.03 -3.46 115.15 105.68 2kk8 h HIS 8 Ca 0.12 -0.01 -0.31 0.00 -0.00 0.00 0.00 60.37 60.18 2kk8 h HIS 8 Cb 1.20 -0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 28.46 2kk8 h HIS 8 CO 0.78 0.68 -0.62 -1.54 -0.00 0.00 0.00 177.93 177.23 2kk8 s SER 9 N -6.83 0.86 -0.61 3.26 1.04 -1.26 -4.78 113.70 105.37 2kk8 s SER 9 Ca -0.01 -1.37 -0.05 0.00 0.48 0.00 0.00 55.95 55.00 2kk8 s SER 9 Cb 0.12 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.48 2kk8 s SER 9 CO 0.77 -0.75 0.65 1.41 0.98 0.00 0.00 173.24 176.30 2kk8 n HIS 10 N -0.38 -3.08 -4.59 5.02 -0.00 -1.16 -4.99 115.22 106.04 2kk8 n HIS 10 Ca 0.00 1.20 -0.34 0.00 -0.00 0.00 0.00 57.72 58.58 2kk8 n HIS 10 Cb 0.66 -4.04 -0.11 0.00 -0.00 0.00 0.00 29.99 26.50 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 -2.85 2.74 -0.15 -0.41 1.00 0.32 -4.85 119.30 115.10 2kk8 s MET 11 Ca 0.09 -0.56 -0.08 0.00 0.00 0.00 0.00 55.69 55.13 2kk8 s MET 11 Cb -0.02 -2.60 -0.04 0.00 0.00 0.00 0.00 34.83 32.17 2kk8 s MET 11 CO 0.74 0.66 0.14 0.15 0.00 0.00 0.00 175.02 176.71 2kk8 s LYS 12 N -0.89 3.78 0.02 2.03 1.02 -1.26 -0.85 119.74 123.59 2kk8 s LYS 12 Ca 0.13 -0.16 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 2kk8 s LYS 12 Cb -0.11 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2kk8 s LYS 12 CO 0.02 0.56 0.07 -0.59 -0.92 0.00 0.00 175.35 174.50 2kk8 s PHE 13 N -0.41 0.17 -0.71 3.18 -0.71 -0.55 -4.93 117.98 114.03 2kk8 s PHE 13 Ca 0.12 -0.40 -0.27 0.00 -1.04 0.00 0.00 56.93 55.34 2kk8 s PHE 13 Cb -0.12 -0.13 0.02 0.00 -1.21 0.00 0.00 43.02 41.58 2kk8 s PHE 13 CO 0.01 -0.29 1.45 -1.17 -1.34 0.00 0.00 175.22 173.88 2kk8 s LEU 14 N -1.70 3.20 -0.51 -1.99 2.96 -1.26 -1.15 118.68 118.23 2kk8 s LEU 14 Ca -0.11 -0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 53.32 2kk8 s LEU 14 Cb -0.06 -2.55 0.04 0.00 0.50 0.00 0.00 46.19 44.12 2kk8 s LEU 14 CO -0.01 -1.99 0.89 -0.69 -1.32 0.00 0.00 176.35 173.22 2kk8 s VAL 15 N 6.69 4.48 -0.48 1.68 1.01 0.11 -4.84 120.40 129.05 2kk8 s VAL 15 Ca 0.44 0.38 -0.24 0.00 0.00 0.00 0.00 61.98 62.56 2kk8 s VAL 15 Cb -0.09 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.86 2kk8 s VAL 15 CO 0.16 -0.96 0.85 -0.70 0.00 0.00 0.00 175.10 174.46 2kk8 s GLU 16 N 3.71 3.40 -0.27 2.72 2.12 -1.26 -0.69 118.70 128.43 2kk8 s GLU 16 Ca 0.31 -0.12 -0.19 0.00 0.36 0.00 0.00 54.97 55.32 2kk8 s GLU 16 Cb -0.12 -3.97 -0.02 0.00 0.26 0.00 0.00 34.13 30.27 2kk8 s GLU 16 CO 0.21 -1.25 0.59 1.21 -0.54 0.00 0.00 175.26 175.48 2kk8 s ASN 17 N 2.38 6.51 0.33 -1.70 2.47 -0.95 -1.36 114.94 122.63 2kk8 s ASN 17 Ca 0.31 0.58 0.03 0.00 0.42 0.00 0.00 52.86 54.20 2kk8 s ASN 17 Cb -0.12 -2.32 0.59 0.00 -1.45 0.00 0.00 41.25 37.96 2kk8 s ASN 17 CO 0.22 -0.36 1.90 0.25 -3.72 0.00 0.00 177.10 175.39 2kk8 h LEU 18 N 8.92 0.57 -3.50 3.21 5.85 -1.71 -1.73 115.31 126.92 2kk8 h LEU 18 Ca -0.27 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2kk8 h LEU 18 Cb 1.13 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2kk8 h LEU 18 CO 0.76 0.57 0.03 0.59 -0.34 0.00 0.00 178.44 180.05 2kk8 n ASN 19 N -4.32 5.50 0.00 1.25 4.13 -1.26 -4.88 115.26 115.69 2kk8 n ASN 19 Ca 0.03 -2.93 0.00 0.00 1.68 0.00 0.00 54.58 53.35 2kk8 n ASN 19 Cb 0.20 -0.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 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 0.52 2.65 3.27 7.41 0.00 -0.66 -5.08 105.19 113.30 2kk8 n GLY 20 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 2kk8 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kk8 s SER 21 N 1.66 0.14 -0.39 1.61 0.15 -1.17 -4.87 113.70 110.83 2kk8 s SER 21 Ca 0.00 -1.21 -0.22 0.00 0.70 0.00 0.00 55.95 55.22 2kk8 s SER 21 Cb 0.00 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 2kk8 s SER 21 CO 0.00 -0.87 0.72 -0.94 1.20 0.00 0.00 173.24 173.35 2kk8 s SER 22 N -3.09 6.45 -0.11 5.45 1.04 -1.26 -2.23 113.70 119.95 2kk8 s SER 22 Ca 0.30 0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.82 2kk8 s SER 22 Cb 0.05 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 2kk8 s SER 22 CO 0.08 -0.74 -0.10 0.12 0.98 0.00 0.00 173.24 173.58 2kk8 s PHE 23 N 2.99 2.87 -1.01 5.02 5.36 0.13 -4.82 117.98 128.52 2kk8 s PHE 23 Ca 0.28 -0.38 -0.23 0.00 -0.96 0.00 0.00 56.93 55.64 2kk8 s PHE 23 Cb -0.13 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.73 2kk8 s PHE 23 CO 0.18 -0.02 1.70 -1.21 -1.46 0.00 0.00 175.22 174.41 2kk8 s GLU 24 N 0.01 3.14 0.04 10.12 2.02 -1.26 0.07 118.70 132.84 2kk8 s GLU 24 Ca -0.02 -0.87 -0.18 0.00 0.02 0.00 0.00 54.97 53.92 2kk8 s GLU 24 Cb -0.14 -5.25 -0.06 0.00 0.10 0.00 0.00 34.13 28.78 2kk8 s GLU 24 CO 0.04 -2.79 0.53 -1.17 0.02 0.00 0.00 175.26 171.89 2kk8 s LEU 25 N 7.32 4.49 -0.33 1.80 0.20 -0.30 -4.70 118.68 127.16 2kk8 s LEU 25 Ca 0.58 1.17 -0.12 0.00 0.69 0.00 0.00 54.13 56.44 2kk8 s LEU 25 Cb -0.02 -2.82 -0.02 0.00 -0.43 0.00 0.00 46.19 42.90 2kk8 s LEU 25 CO -0.03 0.26 0.23 -0.70 -0.29 0.00 0.00 176.35 175.81 2kk8 s GLU 26 N -0.93 3.52 0.15 1.98 2.12 -1.26 -1.49 118.70 122.79 2kk8 s GLU 26 Ca 0.28 -0.62 0.09 0.00 0.36 0.00 0.00 54.97 55.08 2kk8 s GLU 26 Cb -0.19 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 2kk8 s GLU 26 CO 0.17 -0.42 -0.15 0.14 -0.54 0.00 0.00 175.26 174.47 2kk8 s VAL 27 N 1.71 2.98 0.11 3.70 -7.23 -0.03 -4.84 120.40 116.80 2kk8 s VAL 27 Ca 0.06 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 2kk8 s VAL 27 Cb -0.17 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2kk8 s VAL 27 CO 0.10 -0.00 0.16 -0.62 -0.31 0.00 0.00 175.10 174.42 2kk8 s ASP 28 N -2.47 5.82 0.10 4.85 -1.08 -1.26 -0.52 116.67 122.10 2kk8 s ASP 28 Ca 0.21 0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.50 2kk8 s ASP 28 Cb -0.10 -1.63 0.89 0.00 -1.46 0.00 0.00 42.92 40.62 2kk8 s ASP 28 CO 0.12 0.12 1.68 -1.22 0.52 0.00 0.00 175.17 176.40 2kk8 n TYR 29 N -0.00 0.35 0.21 -5.34 4.02 -1.26 -1.24 117.16 113.89 2kk8 n TYR 29 Ca -0.08 0.12 0.12 0.00 -0.01 0.00 0.00 57.90 58.05 2kk8 n TYR 29 Cb 0.53 -0.70 0.15 0.00 -0.02 0.00 0.00 39.34 39.30 2kk8 n TYR 29 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2kk8 h ARG 30 N 0.00 0.00 -6.18 -0.72 2.43 -1.97 -3.32 114.38 104.62 2kk8 h ARG 30 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 2kk8 h ARG 30 Cb 0.41 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2kk8 h ARG 30 CO 0.00 0.01 1.36 -0.51 -1.51 0.00 0.00 179.97 179.32 2kk8 s ASP 31 N -6.13 5.96 0.55 -3.80 1.01 -0.37 -4.86 116.67 109.03 2kk8 s ASP 31 Ca 0.06 2.28 -0.19 0.00 0.71 0.00 0.00 52.55 55.41 2kk8 s ASP 31 Cb 0.06 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.41 2kk8 s ASP 31 CO 0.68 -1.50 1.11 -0.89 0.21 0.00 0.00 175.17 174.79 2kk8 s THR 32 N 6.34 3.28 0.54 -1.27 2.01 -1.26 -1.20 115.64 124.09 2kk8 s THR 32 Ca 0.94 0.77 0.22 0.00 0.31 0.00 0.00 61.69 63.93 2kk8 s THR 32 Cb -0.38 -3.29 0.34 0.00 0.01 0.00 0.00 72.50 69.18 2kk8 s THR 32 CO 0.38 -0.20 2.08 -0.07 -0.69 0.00 0.00 174.62 176.12 2kk8 h LEU 33 N 1.08 0.00 -0.54 4.42 3.38 -0.34 0.23 115.31 123.55 2kk8 h LEU 33 Ca -0.49 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 2kk8 h LEU 33 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2kk8 h LEU 33 CO 0.57 0.00 0.01 0.25 0.09 0.00 0.00 178.44 179.36 2kk8 h LEU 34 N 0.00 0.92 -0.15 1.67 5.85 -1.46 -2.54 115.31 119.59 2kk8 h LEU 34 Ca 0.11 -0.30 -0.23 0.00 0.84 0.00 0.00 57.88 58.31 2kk8 h LEU 34 Cb 0.48 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.28 2kk8 h LEU 34 CO -0.00 0.99 -0.80 0.58 -0.34 0.00 0.00 178.44 178.87 2kk8 h VAL 35 N 0.81 1.27 0.00 1.05 2.07 -0.92 -2.92 116.25 117.62 2kk8 h VAL 35 Ca 0.15 -1.99 -0.04 0.00 0.82 0.00 0.00 66.70 65.65 2kk8 h VAL 35 Cb 0.51 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2kk8 h VAL 35 CO 0.02 0.63 -0.18 1.62 0.02 0.00 0.00 177.57 179.69 2kk8 h VAL 36 N 0.54 0.69 -0.42 2.57 3.04 -1.08 -0.31 116.25 121.28 2kk8 h VAL 36 Ca -0.06 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.86 2kk8 h VAL 36 Cb 1.43 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 32.16 2kk8 h VAL 36 CO 0.16 0.18 0.21 0.11 -1.01 0.00 0.00 177.57 177.22 2kk8 h LYS 37 N 0.00 0.60 0.00 4.17 1.79 -1.27 -1.09 116.57 120.76 2kk8 h LYS 37 Ca -0.00 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 2kk8 h LYS 37 Cb 0.46 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2kk8 h LYS 37 CO 0.02 0.51 -0.51 1.96 -1.08 0.00 0.00 179.45 180.35 2kk8 h GLN 38 N 0.54 0.00 0.38 3.15 4.20 -1.14 -0.02 115.11 122.22 2kk8 h GLN 38 Ca 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 2kk8 h GLN 38 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2kk8 h GLN 38 CO -0.02 0.51 -0.18 0.87 -0.67 0.00 0.00 178.83 179.33 2kk8 h LYS 39 N 0.00 -0.49 -0.39 1.46 1.57 -0.85 -2.80 116.57 115.07 2kk8 h LYS 39 Ca -0.01 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2kk8 h LYS 39 Cb 0.96 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2kk8 h LYS 39 CO 0.07 -0.19 0.06 0.82 -0.57 0.00 0.00 179.45 179.64 2kk8 h ILE 40 N -0.78 1.19 -0.90 1.86 2.04 -1.12 -2.12 117.51 117.68 2kk8 h ILE 40 Ca -0.05 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 65.18 2kk8 h ILE 40 Cb 0.52 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 2kk8 h ILE 40 CO 0.09 0.25 0.55 -0.08 0.00 0.00 0.00 178.15 178.96 2kk8 h GLU 41 N 0.57 0.94 0.00 2.37 4.81 -1.00 0.14 114.58 122.42 2kk8 h GLU 41 Ca 0.13 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 2kk8 h GLU 41 Cb 0.27 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2kk8 h GLU 41 CO 0.00 0.62 -0.60 -0.09 -0.73 0.00 0.00 179.01 178.22 2kk8 h ARG 42 N 0.97 0.00 0.01 1.92 2.43 -1.13 -0.91 114.38 117.67 2kk8 h ARG 42 Ca 0.41 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2kk8 h ARG 42 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2kk8 h ARG 42 CO -0.20 0.60 -0.00 1.03 -1.51 0.00 0.00 179.97 179.88 2kk8 h SER 43 N 0.00 -0.01 0.31 -3.80 0.87 -0.71 -3.35 113.55 106.85 2kk8 h SER 43 Ca -0.01 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2kk8 h SER 43 Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2kk8 h SER 43 CO 0.08 0.79 -0.32 0.00 -0.53 0.00 0.00 176.83 176.85 2kk8 n GLN 44 N -4.69 0.61 -1.31 2.24 1.13 0.41 -4.92 117.38 110.86 2kk8 n GLN 44 Ca -0.06 -0.36 -0.11 0.00 -1.94 0.00 0.00 57.00 54.53 2kk8 n GLN 44 Cb 0.30 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.11 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 -0.88 0.00 -3.90 1.08 8.25 -0.36 -4.99 115.22 114.41 2kk8 n HIS 45 Ca 0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.21 2kk8 n HIS 45 Cb 0.34 -2.14 -0.11 0.00 1.12 0.00 0.00 29.99 29.21 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 -2.29 4.71 0.64 1.59 -4.36 -1.10 -5.00 121.20 115.39 2kk8 s ILE 46 Ca 0.00 -0.05 -0.18 0.00 -0.26 0.00 0.00 60.65 60.16 2kk8 s ILE 46 Cb 0.00 -3.16 -0.01 0.00 1.25 0.00 0.00 42.46 40.54 2kk8 s ILE 46 CO 0.00 0.41 1.27 -2.16 0.24 0.00 0.00 174.94 174.70 2kk8 s PRO 47 N 0.84 2.62 0.45 0.37 0.04 -1.26 -4.04 135.00 134.02 2kk8 s PRO 47 Ca 0.04 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.31 2kk8 s PRO 47 Cb -0.14 -1.86 1.21 0.00 0.04 0.00 0.00 34.50 33.76 2kk8 s PRO 47 CO 0.02 -1.53 1.85 -0.24 0.04 0.00 0.00 177.00 177.14 2kk8 h VAL 48 N 0.58 0.61 0.00 -0.36 3.04 -1.94 0.48 116.25 118.66 2kk8 h VAL 48 Ca -0.51 -0.10 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 2kk8 h VAL 48 Cb 1.33 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 2kk8 h VAL 48 CO 0.53 0.05 -0.23 0.28 -1.01 0.00 0.00 177.57 177.20 2kk8 h SER 49 N 0.28 0.00 -0.61 3.17 0.02 -1.98 -2.36 113.55 112.07 2kk8 h SER 49 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2kk8 h SER 49 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2kk8 h SER 49 CO -0.14 0.23 0.00 0.29 -1.14 0.00 0.00 176.83 176.06 2kk8 n LYS 50 N -3.98 2.65 -3.08 3.45 5.02 0.15 -4.82 118.16 117.55 2kk8 n LYS 50 Ca -0.02 -2.54 -0.45 0.00 -2.02 0.00 0.00 58.31 53.28 2kk8 n LYS 50 Cb 0.30 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.19 3.59 -0.76 1.97 -0.21 -0.89 -2.22 119.66 119.96 2kk8 s GLN 51 Ca 0.46 -2.00 -0.21 0.00 0.02 0.00 0.00 55.36 53.62 2kk8 s GLN 51 Cb 0.25 -4.72 0.09 0.00 1.00 0.00 0.00 33.01 29.63 2kk8 s GLN 51 CO 0.33 -1.59 1.01 0.99 -2.12 0.00 0.00 175.29 173.90 2kk8 s THR 52 N 1.78 4.50 -0.53 -0.19 2.01 -0.82 -4.99 115.64 117.40 2kk8 s THR 52 Ca 0.27 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 2kk8 s THR 52 Cb -0.07 -4.71 0.04 0.00 0.01 0.00 0.00 72.50 67.77 2kk8 s THR 52 CO -0.09 -1.46 0.84 -0.22 -0.69 0.00 0.00 174.62 173.01 2kk8 s LEU 53 N 3.47 4.35 -0.32 4.42 0.20 -1.26 -1.85 118.68 127.68 2kk8 s LEU 53 Ca 0.25 -0.48 -0.19 0.00 0.69 0.00 0.00 54.13 54.40 2kk8 s LEU 53 Cb -0.13 -2.74 -0.01 0.00 -0.43 0.00 0.00 46.19 42.89 2kk8 s LEU 53 CO 0.02 -1.11 0.59 -0.63 -0.29 0.00 0.00 176.35 174.94 2kk8 s ILE 54 N 3.53 4.96 -0.30 6.68 1.01 -1.01 -2.39 121.20 133.69 2kk8 s ILE 54 Ca 0.26 0.68 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 2kk8 s ILE 54 Cb -0.14 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.37 2kk8 s ILE 54 CO 0.18 -0.17 0.05 -0.69 0.00 0.00 0.00 174.94 174.31 2kk8 s VAL 55 N 2.55 3.50 0.00 2.92 1.01 0.38 -3.04 120.40 127.71 2kk8 s VAL 55 Ca 0.23 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2kk8 s VAL 55 Cb -0.15 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2kk8 s VAL 55 CO 0.12 -0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.52 2kk8 n ASP 56 N 4.76 0.00 0.00 3.32 2.03 0.12 -2.31 116.55 124.47 2kk8 n ASP 56 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2kk8 n ASP 56 Cb 0.46 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2kk8 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kk8 n GLY 57 N -1.79 0.88 3.65 0.27 0.00 -1.22 -4.32 105.19 102.65 2kk8 n GLY 57 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 4.06 0.03 -0.61 -1.09 -0.98 -5.02 121.20 117.60 2kk8 s ILE 58 Ca 0.00 -0.43 -0.30 0.00 -2.23 0.00 0.00 60.65 57.69 2kk8 s ILE 58 Cb 0.00 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 2kk8 s ILE 58 CO 0.00 0.53 1.11 0.54 -1.23 0.00 0.00 174.94 175.90 2kk8 s VAL 59 N -0.92 4.37 -0.64 2.92 0.11 -1.26 -0.47 120.40 124.51 2kk8 s VAL 59 Ca 0.15 1.70 -0.21 0.00 -2.93 0.00 0.00 61.98 60.69 2kk8 s VAL 59 Cb -0.11 -4.09 0.09 0.00 -1.53 0.00 0.00 36.38 30.74 2kk8 s VAL 59 CO 0.04 0.13 0.85 -0.63 -3.33 0.00 0.00 175.10 172.16 2kk8 s ILE 60 N 1.10 4.58 -1.14 7.04 -1.09 -1.00 -4.94 121.20 125.74 2kk8 s ILE 60 Ca 0.56 -0.72 -0.08 0.00 -2.23 0.00 0.00 60.65 58.18 2kk8 s ILE 60 Cb -0.26 -4.60 0.26 0.00 -1.58 0.00 0.00 42.46 36.28 2kk8 s ILE 60 CO 0.28 -1.31 1.40 0.18 -1.23 0.00 0.00 174.94 174.26 2kk8 n LEU 61 N 7.00 5.95 0.04 2.97 4.77 -1.26 -4.62 117.00 131.85 2kk8 n LEU 61 Ca -0.05 -4.96 0.00 0.00 -0.03 0.00 0.00 56.01 50.97 2kk8 n LEU 61 Cb 0.44 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 2kk8 n LEU 61 CO 0.61 1.38 0.00 0.54 -1.33 0.00 0.00 177.39 178.58 2kk8 n ARG 62 N 2.83 0.00 0.00 3.23 5.12 -1.26 -4.99 116.66 121.59 2kk8 n ARG 62 Ca 0.29 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 2kk8 n ARG 62 Cb 0.37 -0.15 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 2kk8 n ARG 62 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kk8 n GLU 63 N -2.95 0.00 -0.04 5.56 1.02 -1.26 -4.68 120.64 118.28 2kk8 n GLU 63 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2kk8 n GLU 63 Cb 0.00 -0.98 -0.08 0.00 -0.02 0.00 0.00 31.44 30.36 2kk8 n GLU 63 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kk8 h ASP 64 N 0.00 0.42 -4.34 1.62 3.58 -1.94 -1.28 116.42 114.49 2kk8 h ASP 64 Ca 0.00 -0.57 -0.47 0.00 0.42 0.00 0.00 57.03 56.42 2kk8 h ASP 64 Cb 0.00 -0.12 0.12 0.00 1.72 0.00 0.00 39.33 41.05 2kk8 h ASP 64 CO 0.00 0.91 0.33 -0.76 -2.88 0.00 0.00 179.24 176.84 2kk8 s LEU 65 N -8.88 2.20 0.37 2.28 1.43 -1.26 -4.70 118.68 110.12 2kk8 s LEU 65 Ca -0.14 0.96 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 2kk8 s LEU 65 Cb 0.05 -3.36 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 2kk8 s LEU 65 CO 0.77 -2.32 0.52 0.42 0.23 0.00 0.00 176.35 175.98 2kk8 s THR 66 N -3.33 3.90 0.46 5.49 -4.23 -1.26 0.10 115.64 116.77 2kk8 s THR 66 Ca 0.63 -0.90 0.15 0.00 -1.18 0.00 0.00 61.69 60.39 2kk8 s THR 66 Cb -0.14 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.53 2kk8 s THR 66 CO 0.52 -0.16 2.02 -0.37 -0.54 0.00 0.00 174.62 176.09 2kk8 h VAL 67 N 0.75 1.10 -0.18 2.29 -1.51 -1.37 -0.88 116.25 116.45 2kk8 h VAL 67 Ca -0.45 -0.53 -0.05 0.00 -1.23 0.00 0.00 66.70 64.44 2kk8 h VAL 67 Cb 1.26 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.70 2kk8 h VAL 67 CO 0.53 0.15 -0.08 -0.08 -1.23 0.00 0.00 177.57 176.86 2kk8 h GLU 68 N 0.00 0.38 0.00 5.19 4.81 -1.82 -1.94 114.58 121.20 2kk8 h GLU 68 Ca -0.00 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 2kk8 h GLU 68 Cb 0.27 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2kk8 h GLU 68 CO 0.02 0.67 -0.43 1.96 -0.73 0.00 0.00 179.01 180.50 2kk8 h GLN 69 N 0.07 0.00 0.00 1.92 4.20 -1.79 -2.10 115.11 117.42 2kk8 h GLN 69 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2kk8 h GLN 69 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2kk8 h GLN 69 CO 0.03 0.43 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 2kk8 n GLN 71 N -2.13 -7.15 -2.21 0.00 1.13 -0.76 -4.91 117.38 101.35 2kk8 n GLN 71 Ca 0.05 0.78 -0.40 0.00 -1.94 0.00 0.00 57.00 55.49 2kk8 n GLN 71 Cb 0.38 -5.67 -0.03 0.00 0.11 0.00 0.00 30.24 25.03 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 -3.31 3.56 0.04 5.09 1.01 -0.99 -4.98 121.20 121.62 2kk8 s ILE 72 Ca 0.40 0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.54 2kk8 s ILE 72 Cb -0.18 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 2kk8 s ILE 72 CO 0.68 -1.02 -0.13 0.68 0.00 0.00 0.00 174.94 175.16 2kk8 s VAL 73 N 7.37 3.17 -2.00 2.92 -7.23 -1.26 -4.98 120.40 118.39 2kk8 s VAL 73 Ca 0.61 -1.09 0.13 0.00 -1.81 0.00 0.00 61.98 59.82 2kk8 s VAL 73 Cb -0.13 -2.38 0.37 0.00 0.56 0.00 0.00 36.38 34.79 2kk8 s VAL 73 CO 0.24 0.30 1.20 -2.65 -0.31 0.00 0.00 175.10 173.87 2kk8 n PRO 74 N 1.36 0.52 -0.23 4.82 -0.02 -1.26 -2.02 135.00 138.16 2kk8 n PRO 74 Ca -0.15 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.42 2kk8 n PRO 74 Cb 0.52 -1.39 0.22 0.00 -0.02 0.00 0.00 33.50 32.83 2kk8 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kk8 n THR 75 N -0.89 0.74 -4.16 3.45 -2.24 -1.26 -4.96 114.28 104.96 2kk8 n THR 75 Ca 0.10 -0.87 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 2kk8 n THR 75 Cb 0.04 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kk8 s SER 76 N -1.16 5.10 -0.54 3.42 1.04 -0.86 -5.04 113.70 115.66 2kk8 s SER 76 Ca 0.36 -0.32 -0.26 0.00 0.48 0.00 0.00 55.95 56.21 2kk8 s SER 76 Cb 0.20 -1.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.07 2kk8 s SER 76 CO 0.27 0.05 2.23 -0.62 0.98 0.00 0.00 173.24 176.15 2kk8 s ASP 77 N -3.22 4.70 -0.17 7.02 2.15 -1.26 -4.62 116.67 121.28 2kk8 s ASP 77 Ca 0.30 0.81 0.01 0.00 0.43 0.00 0.00 52.55 54.09 2kk8 s ASP 77 Cb -0.09 -2.51 0.03 0.00 -0.30 0.00 0.00 42.92 40.05 2kk8 s ASP 77 CO 0.21 -2.74 -0.14 -0.63 -0.17 0.00 0.00 175.17 171.71 2kk8 s ILE 78 N 11.24 1.66 0.05 4.11 1.01 -1.25 0.12 121.20 138.13 2kk8 s ILE 78 Ca 0.87 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.75 2kk8 s ILE 78 Cb -0.15 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 2kk8 s ILE 78 CO 0.24 0.38 -0.07 -1.10 0.00 0.00 0.00 174.94 174.38 2kk8 s GLN 79 N 1.43 0.55 -0.42 2.79 -0.21 -1.17 -4.35 119.66 118.28 2kk8 s GLN 79 Ca 0.03 -0.82 -0.14 0.00 0.02 0.00 0.00 55.36 54.44 2kk8 s GLN 79 Cb -0.14 -0.25 0.03 0.00 1.00 0.00 0.00 33.01 33.66 2kk8 s GLN 79 CO -0.10 0.03 0.30 -0.51 -2.12 0.00 0.00 175.29 172.89 2kk8 s LEU 80 N -1.76 5.15 -0.43 2.90 1.43 -0.46 -2.39 118.68 123.11 2kk8 s LEU 80 Ca -0.08 -0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 51.84 2kk8 s LEU 80 Cb -0.08 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2kk8 s LEU 80 CO -0.00 -0.48 0.55 -0.70 0.23 0.00 0.00 176.35 175.95 2kk8 s GLU 81 N 1.65 3.19 -0.27 1.70 2.12 -0.77 -1.92 118.70 124.40 2kk8 s GLU 81 Ca 0.04 -0.57 -0.23 0.00 0.36 0.00 0.00 54.97 54.57 2kk8 s GLU 81 Cb -0.20 -3.97 -0.01 0.00 0.26 0.00 0.00 34.13 30.22 2kk8 s GLU 81 CO 0.09 -0.95 0.76 0.08 -0.54 0.00 0.00 175.26 174.70 2kk8 s VAL 82 N 2.51 4.86 -0.98 3.70 1.01 -1.25 -1.94 120.40 128.31 2kk8 s VAL 82 Ca 0.18 1.31 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 2kk8 s VAL 82 Cb -0.16 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2kk8 s VAL 82 CO 0.16 -0.11 1.53 -0.55 0.00 0.00 0.00 175.10 176.13 2kk8 s SER 83 N 1.48 6.24 0.00 3.32 0.15 -0.94 -5.01 113.70 118.94 2kk8 s SER 83 Ca 0.31 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2kk8 s SER 83 Cb -0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2kk8 s SER 83 CO 0.09 -1.74 0.39 -1.20 1.20 0.00 0.00 173.24 171.98