#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 -0.42 2.74 -5.12 0.00 -1.26 -5.06 105.19 96.07 2kk8 n GLY 2 Ca 0.00 0.78 -0.05 0.00 0.00 0.00 0.00 46.02 46.75 2kk8 n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kk8 n HIS 3 N 0.00 0.72 -1.00 1.61 -0.00 -1.26 -4.96 115.22 110.33 2kk8 n HIS 3 Ca 0.00 -2.40 -0.00 0.00 -0.00 0.00 0.00 57.72 55.32 2kk8 n HIS 3 Cb 0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.99 29.94 2kk8 n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk8 n HIS 4 N -0.41 0.00 -1.13 -1.40 -0.00 -1.26 -2.10 115.22 108.92 2kk8 n HIS 4 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.73 2kk8 n HIS 4 Cb 0.82 -1.40 -0.02 0.00 -0.00 0.00 0.00 29.99 29.39 2kk8 n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk8 n HIS 5 N -2.31 0.00 -4.33 4.41 -0.00 -1.26 -4.97 115.22 106.76 2kk8 n HIS 5 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 2kk8 n HIS 5 Cb 0.35 -1.84 -0.11 0.00 -0.00 0.00 0.00 29.99 28.38 2kk8 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 6 N -1.64 1.79 -0.30 1.57 0.09 -0.89 -5.13 115.29 110.78 2kk8 s HIS 6 Ca 0.00 -0.49 -0.13 0.00 -0.00 0.00 0.00 55.06 54.44 2kk8 s HIS 6 Cb 0.00 -0.88 0.14 0.00 -0.00 0.00 0.00 32.58 31.84 2kk8 s HIS 6 CO 0.00 0.34 0.80 -3.38 -0.00 0.00 0.00 174.74 172.50 2kk8 s HIS 7 N -2.24 -1.00 -1.05 1.40 0.00 -1.26 -4.87 115.29 106.26 2kk8 s HIS 7 Ca 0.17 1.79 -0.16 0.00 -3.00 0.00 0.00 55.06 53.87 2kk8 s HIS 7 Cb -0.05 0.60 0.16 0.00 -4.00 0.00 0.00 32.58 29.30 2kk8 s HIS 7 CO 0.07 -0.50 1.23 -1.01 -1.00 0.00 0.00 174.74 173.53 2kk8 s HIS 8 N 2.42 3.39 -1.50 0.38 4.02 -1.26 -4.92 115.29 117.82 2kk8 s HIS 8 Ca -0.06 -1.81 -0.11 0.00 1.02 0.00 0.00 55.06 54.10 2kk8 s HIS 8 Cb -0.08 -4.24 0.01 0.00 -1.02 0.00 0.00 32.58 27.25 2kk8 s HIS 8 CO -0.18 -1.39 2.52 -1.13 1.02 0.00 0.00 174.74 175.58 2kk8 n SER 9 N 5.78 6.50 -3.62 1.40 3.41 -1.26 -4.78 113.62 121.05 2kk8 n SER 9 Ca 0.28 -2.79 -0.15 0.00 -0.26 0.00 0.00 58.87 55.96 2kk8 n SER 9 Cb 0.46 -1.57 -0.07 0.00 -0.26 0.00 0.00 64.21 62.77 2kk8 n SER 9 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2kk8 s HIS 10 N 2.01 -0.69 -0.15 7.33 0.00 -1.26 -4.50 115.29 118.03 2kk8 s HIS 10 Ca 0.57 1.55 -0.07 0.00 -3.00 0.00 0.00 55.06 54.10 2kk8 s HIS 10 Cb 0.16 0.29 0.06 0.00 -4.00 0.00 0.00 32.58 29.09 2kk8 s HIS 10 CO -0.07 -0.42 0.34 1.41 -1.00 0.00 0.00 174.74 175.00 2kk8 s MET 11 N -0.13 0.28 -0.43 -0.38 -2.45 -0.01 -4.96 119.30 111.22 2kk8 s MET 11 Ca -0.04 0.78 -0.19 0.00 -1.25 0.00 0.00 55.69 54.99 2kk8 s MET 11 Cb -0.03 0.03 0.02 0.00 1.25 0.00 0.00 34.83 36.10 2kk8 s MET 11 CO 0.03 -0.21 0.57 0.15 1.05 0.00 0.00 175.02 176.62 2kk8 s LYS 12 N 1.87 3.21 -0.12 4.11 1.02 -1.26 -1.13 119.74 127.43 2kk8 s LYS 12 Ca -0.05 -0.52 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 2kk8 s LYS 12 Cb -0.10 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 2kk8 s LYS 12 CO -0.11 -0.96 0.10 -0.59 -0.92 0.00 0.00 175.35 172.87 2kk8 s PHE 13 N 2.57 3.44 -0.67 3.18 -0.71 -1.03 -4.79 117.98 119.96 2kk8 s PHE 13 Ca 0.19 0.38 -0.27 0.00 -1.04 0.00 0.00 56.93 56.19 2kk8 s PHE 13 Cb -0.15 -1.94 0.01 0.00 -1.21 0.00 0.00 43.02 39.73 2kk8 s PHE 13 CO 0.17 0.58 1.55 -1.17 -1.34 0.00 0.00 175.22 175.01 2kk8 s LEU 14 N -0.73 3.23 -0.81 -1.99 2.96 -1.26 -2.07 118.68 118.01 2kk8 s LEU 14 Ca 0.13 -0.05 -0.26 0.00 -0.22 0.00 0.00 54.13 53.73 2kk8 s LEU 14 Cb -0.12 -2.58 0.03 0.00 0.50 0.00 0.00 46.19 44.02 2kk8 s LEU 14 CO 0.03 -2.08 1.39 -0.69 -1.32 0.00 0.00 176.35 173.68 2kk8 s VAL 15 N 7.27 3.74 -0.47 1.68 1.01 0.75 -4.78 120.40 129.60 2kk8 s VAL 15 Ca 0.51 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 2kk8 s VAL 15 Cb -0.10 -4.85 0.04 0.00 0.00 0.00 0.00 36.38 31.46 2kk8 s VAL 15 CO 0.18 -1.78 0.69 -0.70 0.00 0.00 0.00 175.10 173.49 2kk8 s GLU 16 N 5.68 3.25 0.06 2.72 2.12 -1.18 -1.25 118.70 130.09 2kk8 s GLU 16 Ca 0.42 -0.48 -0.25 0.00 0.36 0.00 0.00 54.97 55.02 2kk8 s GLU 16 Cb -0.06 -4.00 -0.06 0.00 0.26 0.00 0.00 34.13 30.27 2kk8 s GLU 16 CO 0.08 -1.13 0.75 1.21 -0.54 0.00 0.00 175.26 175.63 2kk8 s ASN 17 N 2.30 7.22 0.44 -1.70 3.84 -1.25 -0.46 114.94 125.34 2kk8 s ASN 17 Ca 0.22 1.46 0.16 0.00 0.21 0.00 0.00 52.86 54.91 2kk8 s ASN 17 Cb -0.15 -2.47 1.00 0.00 -0.55 0.00 0.00 41.25 39.08 2kk8 s ASN 17 CO 0.17 0.05 1.96 0.25 -2.79 0.00 0.00 177.10 176.75 2kk8 h LEU 18 N 5.45 0.00 -6.35 3.21 5.85 -1.40 -3.29 115.31 118.78 2kk8 h LEU 18 Ca -0.45 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 57.69 2kk8 h LEU 18 Cb 1.21 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.84 2kk8 h LEU 18 CO 0.70 0.22 -0.90 -3.20 -0.34 0.00 0.00 178.44 174.93 2kk8 n ASN 19 N -4.14 0.90 0.00 1.25 2.85 -1.26 -4.99 115.26 109.86 2kk8 n ASN 19 Ca -0.02 -2.76 0.00 0.00 -0.11 0.00 0.00 54.58 51.69 2kk8 n ASN 19 Cb 0.29 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 40.68 2kk8 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kk8 n GLY 20 N 1.97 -0.37 3.02 8.20 0.00 -1.24 -5.01 105.19 111.75 2kk8 n GLY 20 Ca 0.26 0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.00 0.04 -0.65 1.61 0.15 -1.26 -4.90 113.70 104.68 2kk8 s SER 21 Ca 0.00 -0.14 -0.28 0.00 0.70 0.00 0.00 55.95 56.24 2kk8 s SER 21 Cb 0.00 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 2kk8 s SER 21 CO 0.00 -0.22 1.24 -0.44 1.20 0.00 0.00 173.24 175.02 2kk8 s SER 22 N -0.85 6.31 -0.11 5.45 0.01 -1.26 -3.75 113.70 119.50 2kk8 s SER 22 Ca -0.09 -0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.02 2kk8 s SER 22 Cb -0.06 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 2kk8 s SER 22 CO 0.00 -1.65 -0.10 0.12 0.41 0.00 0.00 173.24 172.02 2kk8 s PHE 23 N 5.34 2.87 -0.54 2.43 5.36 -0.38 -4.83 117.98 128.23 2kk8 s PHE 23 Ca 0.39 -0.35 -0.28 0.00 -0.96 0.00 0.00 56.93 55.73 2kk8 s PHE 23 Cb -0.08 -1.81 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 2kk8 s PHE 23 CO 0.21 0.00 1.42 -1.21 -1.46 0.00 0.00 175.22 174.18 2kk8 s GLU 24 N -0.05 3.33 -0.40 10.12 2.02 -1.26 -0.18 118.70 132.28 2kk8 s GLU 24 Ca -0.01 0.54 -0.15 0.00 0.02 0.00 0.00 54.97 55.36 2kk8 s GLU 24 Cb -0.14 -4.11 0.02 0.00 0.10 0.00 0.00 34.13 29.99 2kk8 s GLU 24 CO 0.03 -1.90 0.32 -1.17 0.02 0.00 0.00 175.26 172.57 2kk8 s LEU 25 N 6.03 4.99 -0.55 1.80 0.20 -0.88 -4.89 118.68 125.38 2kk8 s LEU 25 Ca 0.54 -0.79 -0.28 0.00 0.69 0.00 0.00 54.13 54.29 2kk8 s LEU 25 Cb -0.11 -2.20 0.02 0.00 -0.43 0.00 0.00 46.19 43.47 2kk8 s LEU 25 CO 0.26 -0.44 1.26 -0.70 -0.29 0.00 0.00 176.35 176.44 2kk8 s GLU 26 N 1.77 3.49 0.40 1.98 2.12 -1.26 -2.47 118.70 124.74 2kk8 s GLU 26 Ca 0.06 0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.88 2kk8 s GLU 26 Cb -0.18 -4.03 -0.05 0.00 0.26 0.00 0.00 34.13 30.12 2kk8 s GLU 26 CO 0.11 -1.70 0.16 0.14 -0.54 0.00 0.00 175.26 173.43 2kk8 s VAL 27 N 5.22 2.35 0.16 3.70 -7.23 -0.29 -4.87 120.40 119.44 2kk8 s VAL 27 Ca 0.48 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 2kk8 s VAL 27 Cb -0.09 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 2kk8 s VAL 27 CO 0.27 -0.02 0.37 -0.62 -0.31 0.00 0.00 175.10 174.78 2kk8 s ASP 28 N -3.88 6.43 0.40 4.85 -1.08 -1.26 -0.83 116.67 121.29 2kk8 s ASP 28 Ca 0.40 0.48 0.28 0.00 -0.52 0.00 0.00 52.55 53.20 2kk8 s ASP 28 Cb 0.04 -2.04 1.28 0.00 -1.46 0.00 0.00 42.92 40.73 2kk8 s ASP 28 CO 0.22 0.02 1.85 1.88 0.52 0.00 0.00 175.17 179.67 2kk8 h TYR 29 N 2.50 0.00 0.00 -5.34 0.05 -1.95 -0.29 116.97 111.95 2kk8 h TYR 29 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2kk8 h TYR 29 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2kk8 h TYR 29 CO 0.59 0.00 0.00 -0.09 -1.05 0.00 0.00 178.16 177.61 2kk8 h ARG 30 N 0.00 0.00 -6.79 4.88 2.43 -1.93 -3.03 114.38 109.94 2kk8 h ARG 30 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 2kk8 h ARG 30 Cb 0.30 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 29.89 2kk8 h ARG 30 CO 0.00 0.00 0.58 -0.51 -1.51 0.00 0.00 179.97 178.53 2kk8 s ASP 31 N -5.75 6.99 0.42 -3.80 1.01 -0.12 -4.89 116.67 110.53 2kk8 s ASP 31 Ca 0.06 2.45 0.08 0.00 0.71 0.00 0.00 52.55 55.85 2kk8 s ASP 31 Cb 0.07 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.38 2kk8 s ASP 31 CO 0.62 -0.39 0.57 0.42 0.21 0.00 0.00 175.17 176.60 2kk8 s THR 32 N -0.79 3.04 0.38 -1.27 -4.23 -1.26 -1.86 115.64 109.65 2kk8 s THR 32 Ca 0.49 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 60.07 2kk8 s THR 32 Cb -0.36 -3.02 0.22 0.00 1.34 0.00 0.00 72.50 70.68 2kk8 s THR 32 CO 0.44 -0.01 1.98 -0.07 -0.54 0.00 0.00 174.62 176.43 2kk8 h LEU 33 N 0.64 0.46 -0.28 4.79 3.38 -0.77 -0.33 115.31 123.20 2kk8 h LEU 33 Ca -0.40 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2kk8 h LEU 33 Cb 1.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2kk8 h LEU 33 CO 0.45 0.42 0.07 0.25 0.09 0.00 0.00 178.44 179.73 2kk8 h LEU 34 N 0.51 0.42 -0.34 1.67 5.85 -1.00 -1.79 115.31 120.63 2kk8 h LEU 34 Ca 0.13 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 2kk8 h LEU 34 Cb 0.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2kk8 h LEU 34 CO -0.01 0.54 -0.22 0.58 -0.34 0.00 0.00 178.44 178.98 2kk8 h VAL 35 N 0.28 1.29 -0.17 1.05 2.07 -1.69 -2.95 116.25 116.13 2kk8 h VAL 35 Ca 0.09 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 2kk8 h VAL 35 Cb 0.28 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2kk8 h VAL 35 CO 0.00 0.45 -0.26 1.62 0.02 0.00 0.00 177.57 179.40 2kk8 h VAL 36 N 0.53 1.25 0.00 2.57 3.04 -1.08 -2.09 116.25 120.48 2kk8 h VAL 36 Ca 0.07 -1.19 -0.03 0.00 -1.01 0.00 0.00 66.70 64.54 2kk8 h VAL 36 Cb 0.78 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2kk8 h VAL 36 CO 0.06 0.37 -0.14 0.11 -1.01 0.00 0.00 177.57 176.96 2kk8 h LYS 37 N 0.29 0.00 0.00 4.17 1.57 -1.16 0.22 116.57 121.66 2kk8 h LYS 37 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 2kk8 h LYS 37 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2kk8 h LYS 37 CO 0.04 0.14 -0.46 1.96 -0.57 0.00 0.00 179.45 180.56 2kk8 h GLN 38 N 0.00 0.00 0.00 3.15 1.08 -1.23 -2.79 115.11 115.32 2kk8 h GLN 38 Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2kk8 h GLN 38 Cb 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2kk8 h GLN 38 CO 0.02 0.46 -0.97 0.87 -0.95 0.00 0.00 178.83 178.26 2kk8 h LYS 39 N 0.00 0.00 0.00 1.46 1.57 -0.76 -3.29 116.57 115.56 2kk8 h LYS 39 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2kk8 h LYS 39 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 2kk8 h LYS 39 CO 0.06 0.12 -0.75 0.82 -0.57 0.00 0.00 179.45 179.13 2kk8 h ILE 40 N 0.00 1.35 -0.16 1.86 2.04 -0.59 -3.38 117.51 118.63 2kk8 h ILE 40 Ca -0.05 -2.74 0.05 0.00 1.00 0.00 0.00 64.86 63.12 2kk8 h ILE 40 Cb 1.20 2.56 -0.07 0.00 -0.74 0.00 0.00 36.82 39.77 2kk8 h ILE 40 CO 0.02 0.73 -0.35 -0.08 0.00 0.00 0.00 178.15 178.47 2kk8 h GLU 41 N 0.00 -0.39 0.19 2.37 4.22 -1.56 -0.22 114.58 119.20 2kk8 h GLU 41 Ca -0.01 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 2kk8 h GLU 41 Cb 1.50 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2kk8 h GLU 41 CO 0.10 -0.26 -0.09 -0.09 -2.18 0.00 0.00 179.01 176.48 2kk8 h ARG 42 N -0.41 -0.25 -0.40 1.92 2.43 -1.78 -0.53 114.38 115.37 2kk8 h ARG 42 Ca 0.10 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2kk8 h ARG 42 Cb 0.57 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2kk8 h ARG 42 CO -0.39 0.00 -0.16 0.77 -1.51 0.00 0.00 179.97 178.69 2kk8 h SER 43 N -0.48 0.74 0.31 -3.80 0.02 -1.69 -1.83 113.55 106.82 2kk8 h SER 43 Ca -0.03 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2kk8 h SER 43 Cb 0.37 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2kk8 h SER 43 CO 0.04 0.91 -0.29 0.00 -1.14 0.00 0.00 176.83 176.36 2kk8 n GLN 44 N -4.14 0.64 -1.50 3.45 1.13 -0.11 -4.93 117.38 111.92 2kk8 n GLN 44 Ca 0.01 -0.36 -0.15 0.00 -1.94 0.00 0.00 57.00 54.55 2kk8 n GLN 44 Cb 0.39 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.19 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 -0.86 -0.05 -4.87 1.08 8.25 -0.29 -4.94 115.22 113.55 2kk8 n HIS 45 Ca 0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.30 2kk8 n HIS 45 Cb 0.34 -2.70 -0.16 0.00 1.12 0.00 0.00 29.99 28.59 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 -2.58 1.50 1.13 1.59 -4.36 -0.72 -5.00 121.20 112.75 2kk8 s ILE 46 Ca 0.00 -0.74 -0.15 0.00 -0.26 0.00 0.00 60.65 59.50 2kk8 s ILE 46 Cb 0.00 -1.29 0.20 0.00 1.25 0.00 0.00 42.46 42.61 2kk8 s ILE 46 CO 0.00 0.43 0.60 -0.81 0.24 0.00 0.00 174.94 175.40 2kk8 n PRO 47 N 3.27 -1.89 0.00 0.37 -0.04 -1.26 -4.20 135.00 131.25 2kk8 n PRO 47 Ca -0.19 -0.52 -0.11 0.00 -0.04 0.00 0.00 63.50 62.64 2kk8 n PRO 47 Cb 0.53 -1.98 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.34 1.02 0.00 0.52 2.07 -1.95 -2.07 116.25 113.49 2kk8 h VAL 48 Ca -0.56 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2kk8 h VAL 48 Cb 1.34 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2kk8 h VAL 48 CO 0.44 0.02 0.00 -1.20 0.02 0.00 0.00 177.57 176.85 2kk8 n SER 49 N -5.03 0.76 0.12 0.57 7.64 -1.26 -1.67 113.62 114.74 2kk8 n SER 49 Ca -0.05 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.59 2kk8 n SER 49 Cb 0.03 -0.82 0.40 0.00 -1.01 0.00 0.00 64.21 62.82 2kk8 n SER 49 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2kk8 h LYS 50 N 0.00 0.00 -4.97 1.43 3.64 -1.71 -3.41 116.57 111.55 2kk8 h LYS 50 Ca 0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 2kk8 h LYS 50 Cb 0.52 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.16 2kk8 h LYS 50 CO 0.00 0.00 0.64 -0.65 -2.27 0.00 0.00 179.45 177.17 2kk8 s GLN 51 N -3.14 3.44 -0.21 1.90 -0.21 -0.67 -2.18 119.66 118.59 2kk8 s GLN 51 Ca 0.10 -1.59 -0.24 0.00 0.02 0.00 0.00 55.36 53.65 2kk8 s GLN 51 Cb 0.11 -4.67 -0.01 0.00 1.00 0.00 0.00 33.01 29.44 2kk8 s GLN 51 CO 0.58 -1.72 0.79 0.99 -2.12 0.00 0.00 175.29 173.82 2kk8 s THR 52 N 2.75 4.88 -0.23 -0.19 2.01 -1.24 -5.02 115.64 118.61 2kk8 s THR 52 Ca 0.27 1.52 -0.25 0.00 0.31 0.00 0.00 61.69 63.54 2kk8 s THR 52 Cb -0.10 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 2kk8 s THR 52 CO -0.04 -0.01 0.85 -0.76 -0.69 0.00 0.00 174.62 173.97 2kk8 s LEU 53 N 2.45 4.10 -0.13 4.42 1.43 -1.25 -2.89 118.68 126.81 2kk8 s LEU 53 Ca 0.35 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 2kk8 s LEU 53 Cb -0.16 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 42.86 2kk8 s LEU 53 CO 0.10 -0.50 -0.15 -0.63 0.23 0.00 0.00 176.35 175.39 2kk8 s ILE 54 N 2.72 1.59 -0.12 -0.59 1.09 -0.99 0.27 121.20 125.17 2kk8 s ILE 54 Ca 0.36 -0.67 0.01 0.00 -1.10 0.00 0.00 60.65 59.25 2kk8 s ILE 54 Cb -0.15 -1.47 0.02 0.00 -1.06 0.00 0.00 42.46 39.80 2kk8 s ILE 54 CO 0.08 0.46 -0.13 0.54 -0.10 0.00 0.00 174.94 175.80 2kk8 s VAL 55 N 1.26 1.37 -1.44 2.92 0.11 0.36 -2.07 120.40 122.91 2kk8 s VAL 55 Ca -0.00 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 2kk8 s VAL 55 Cb -0.14 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 2kk8 s VAL 55 CO -0.07 0.42 0.00 0.47 -3.33 0.00 0.00 175.10 172.59 2kk8 n ASP 56 N 4.53 -5.04 0.00 3.54 8.00 0.70 -0.57 116.55 127.71 2kk8 n ASP 56 Ca -0.17 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2kk8 n ASP 56 Cb 0.51 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 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 -0.77 0.80 3.71 0.44 0.00 -1.26 -5.01 105.19 103.09 2kk8 n GLY 57 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.71 5.35 -0.03 -0.61 1.01 0.26 -5.06 121.20 119.41 2kk8 s ILE 58 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 2kk8 s ILE 58 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2kk8 s ILE 58 CO 0.00 0.39 1.01 0.54 0.00 0.00 0.00 174.94 176.88 2kk8 s VAL 59 N 0.61 4.78 -0.19 2.92 0.11 -1.26 -0.49 120.40 126.88 2kk8 s VAL 59 Ca 0.11 2.01 -0.03 0.00 -2.93 0.00 0.00 61.98 61.14 2kk8 s VAL 59 Cb -0.12 -4.29 -0.01 0.00 -1.53 0.00 0.00 36.38 30.42 2kk8 s VAL 59 CO 0.02 0.10 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.19 2kk8 s ILE 60 N 1.38 3.35 -0.22 7.04 -1.09 0.14 -4.96 121.20 126.85 2kk8 s ILE 60 Ca 0.51 -0.52 0.05 0.00 -2.23 0.00 0.00 60.65 58.47 2kk8 s ILE 60 Cb -0.21 -2.49 0.12 0.00 -1.58 0.00 0.00 42.46 38.30 2kk8 s ILE 60 CO 0.25 0.46 1.09 0.18 -1.23 0.00 0.00 174.94 175.68 2kk8 n LEU 61 N 4.35 2.31 -4.31 2.97 4.77 -1.26 -3.87 117.00 121.96 2kk8 n LEU 61 Ca -0.18 -2.17 -0.46 0.00 -0.03 0.00 0.00 56.01 53.17 2kk8 n LEU 61 Cb 0.51 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2kk8 n LEU 61 CO 0.30 0.58 0.12 -0.13 -1.33 0.00 0.00 177.39 176.93 2kk8 s ARG 62 N -1.29 2.95 0.03 3.23 1.81 -1.26 -4.90 118.95 119.52 2kk8 s ARG 62 Ca 0.10 -1.69 0.28 0.00 -1.72 0.00 0.00 55.73 52.71 2kk8 s ARG 62 Cb 0.07 -4.26 1.10 0.00 -0.45 0.00 0.00 34.95 31.41 2kk8 s ARG 62 CO 0.04 -1.30 1.85 0.39 -0.68 0.00 0.00 175.30 175.60 2kk8 n GLU 63 N 5.22 0.04 0.23 3.54 1.02 -1.26 -3.23 120.64 126.20 2kk8 n GLU 63 Ca -0.13 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.15 2kk8 n GLU 63 Cb 0.40 -1.54 0.43 0.00 -0.02 0.00 0.00 31.44 30.71 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 0.00 -2.88 1.62 3.58 -1.94 0.13 116.42 116.92 2kk8 h ASP 64 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 2kk8 h ASP 64 Cb 0.53 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.61 2kk8 h ASP 64 CO 0.00 0.12 0.83 -0.76 -2.88 0.00 0.00 179.24 176.55 2kk8 s LEU 65 N -6.42 4.37 0.25 2.28 1.43 -1.20 -4.77 118.68 114.62 2kk8 s LEU 65 Ca 0.03 2.44 -0.22 0.00 -1.03 0.00 0.00 54.13 55.35 2kk8 s LEU 65 Cb 0.08 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 2kk8 s LEU 65 CO 0.62 -0.75 0.81 -0.89 0.23 0.00 0.00 176.35 176.37 2kk8 s THR 66 N 1.41 4.42 0.41 5.49 2.01 -1.26 -0.54 115.64 127.58 2kk8 s THR 66 Ca 0.68 1.51 0.10 0.00 0.31 0.00 0.00 61.69 64.29 2kk8 s THR 66 Cb -0.39 -3.94 0.19 0.00 0.01 0.00 0.00 72.50 68.37 2kk8 s THR 66 CO 0.31 0.21 1.97 -0.37 -0.69 0.00 0.00 174.62 176.04 2kk8 h VAL 67 N 2.75 1.14 -0.24 3.82 -1.51 -1.55 -0.32 116.25 120.34 2kk8 h VAL 67 Ca -0.47 -0.59 -0.10 0.00 -1.23 0.00 0.00 66.70 64.31 2kk8 h VAL 67 Cb 1.19 1.06 -0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2kk8 h VAL 67 CO 0.65 0.19 -0.23 -0.08 -1.23 0.00 0.00 177.57 176.87 2kk8 h GLU 68 N 0.26 0.58 -0.23 5.19 4.81 -1.77 -0.37 114.58 123.05 2kk8 h GLU 68 Ca 0.06 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2kk8 h GLU 68 Cb 0.25 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2kk8 h GLU 68 CO 0.01 0.90 0.15 0.37 -0.73 0.00 0.00 179.01 179.70 2kk8 h GLN 69 N 0.29 0.31 0.00 1.92 -0.00 -1.64 -1.60 115.11 114.40 2kk8 h GLN 69 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2kk8 h GLN 69 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.20 2kk8 h GLN 69 CO 0.06 0.24 0.00 0.00 0.00 0.00 0.00 178.83 179.13 2kk8 n GLN 71 N -1.16 -5.20 -2.54 0.00 1.13 -0.60 -4.93 117.38 104.07 2kk8 n GLN 71 Ca 0.17 0.81 -0.42 0.00 -1.94 0.00 0.00 57.00 55.62 2kk8 n GLN 71 Cb 0.17 -5.72 -0.03 0.00 0.11 0.00 0.00 30.24 24.77 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 -3.41 4.42 0.09 5.09 -1.09 -0.21 -5.04 121.20 121.05 2kk8 s ILE 72 Ca 0.12 1.73 0.09 0.00 -2.23 0.00 0.00 60.65 60.37 2kk8 s ILE 72 Cb -0.02 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 2kk8 s ILE 72 CO 0.75 0.05 -0.23 0.68 -1.23 0.00 0.00 174.94 174.96 2kk8 s VAL 73 N 1.74 1.88 -1.73 2.92 -7.23 -1.26 -4.93 120.40 111.79 2kk8 s VAL 73 Ca 0.54 -1.52 0.20 0.00 -1.81 0.00 0.00 61.98 59.39 2kk8 s VAL 73 Cb -0.24 -1.67 0.47 0.00 0.56 0.00 0.00 36.38 35.50 2kk8 s VAL 73 CO 0.24 0.06 1.61 -0.81 -0.31 0.00 0.00 175.10 175.89 2kk8 n PRO 74 N 1.24 0.47 0.01 4.82 -0.04 -1.26 -2.31 135.00 137.93 2kk8 n PRO 74 Ca -0.18 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.44 2kk8 n PRO 74 Cb 0.53 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.63 2kk8 n PRO 74 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2kk8 n THR 75 N -1.13 0.06 -1.65 0.52 5.66 -1.26 -4.60 114.28 111.88 2kk8 n THR 75 Ca 0.13 -0.07 -0.30 0.00 -3.05 0.00 0.00 64.05 60.75 2kk8 n THR 75 Cb 0.11 0.34 0.06 0.00 -1.55 0.00 0.00 70.33 69.29 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kk8 s SER 76 N -3.29 5.11 -0.73 1.09 0.01 -0.98 -4.95 113.70 109.96 2kk8 s SER 76 Ca 0.09 1.39 -0.26 0.00 1.31 0.00 0.00 55.95 58.47 2kk8 s SER 76 Cb 0.16 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 64.19 2kk8 s SER 76 CO 0.75 -1.58 1.55 -0.62 0.41 0.00 0.00 173.24 173.75 2kk8 s ASP 77 N -3.97 5.80 -0.35 2.44 2.15 -1.26 -4.93 116.67 116.54 2kk8 s ASP 77 Ca 0.59 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.30 2kk8 s ASP 77 Cb -0.13 -2.55 0.09 0.00 -0.30 0.00 0.00 42.92 40.03 2kk8 s ASP 77 CO 0.54 -2.07 0.09 -0.63 -0.17 0.00 0.00 175.17 172.93 2kk8 s ILE 78 N 7.17 2.76 0.03 4.11 1.01 -1.26 -0.21 121.20 134.81 2kk8 s ILE 78 Ca 0.50 -2.04 0.04 0.00 0.00 0.00 0.00 60.65 59.15 2kk8 s ILE 78 Cb -0.09 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 2kk8 s ILE 78 CO 0.14 -0.52 -0.13 -1.10 0.00 0.00 0.00 174.94 173.33 2kk8 s GLN 79 N 1.06 0.90 -0.36 2.79 -0.21 -0.88 -3.13 119.66 119.83 2kk8 s GLN 79 Ca 0.06 -0.67 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 2kk8 s GLN 79 Cb -0.21 -0.88 0.02 0.00 1.00 0.00 0.00 33.01 32.94 2kk8 s GLN 79 CO -0.05 0.22 0.19 -0.51 -2.12 0.00 0.00 175.29 173.02 2kk8 s LEU 80 N -0.95 4.56 -0.56 2.90 1.43 0.40 -2.35 118.68 124.11 2kk8 s LEU 80 Ca 0.01 -0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 51.97 2kk8 s LEU 80 Cb -0.07 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.17 2kk8 s LEU 80 CO 0.01 -0.34 1.11 -0.70 0.23 0.00 0.00 176.35 176.66 2kk8 s GLU 81 N 1.57 3.49 0.17 1.70 2.12 -1.14 -0.89 118.70 125.71 2kk8 s GLU 81 Ca 0.03 0.14 -0.32 0.00 0.36 0.00 0.00 54.97 55.18 2kk8 s GLU 81 Cb -0.19 -4.01 -0.12 0.00 0.26 0.00 0.00 34.13 30.08 2kk8 s GLU 81 CO 0.06 -1.58 1.77 1.55 -0.54 0.00 0.00 175.26 176.52 2kk8 n VAL 82 N 6.55 0.15 -2.91 3.70 3.14 -1.26 -3.68 118.33 124.02 2kk8 n VAL 82 Ca 0.07 -0.03 -0.21 0.00 -2.96 0.00 0.00 64.34 61.22 2kk8 n VAL 82 Cb 0.49 -2.04 0.02 0.00 -1.06 0.00 0.00 33.84 31.25 2kk8 n VAL 82 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2kk8 s SER 83 N 1.80 5.60 0.00 6.55 0.15 -0.93 -5.00 113.70 121.87 2kk8 s SER 83 Ca 0.78 -0.01 0.22 0.00 0.70 0.00 0.00 55.95 57.64 2kk8 s SER 83 Cb -0.50 -1.09 1.31 0.00 -1.71 0.00 0.00 66.02 64.03 2kk8 s SER 83 CO 0.34 -0.86 1.68 -1.20 1.20 0.00 0.00 173.24 174.41