#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 3.84 3.56 3.03 0.00 -1.26 -5.04 105.19 109.32 2kk8 n GLY 2 Ca 0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 2kk8 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kk8 s HIS 3 N -0.11 2.33 -0.20 1.61 0.09 -1.26 -4.96 115.29 112.79 2kk8 s HIS 3 Ca 0.00 -0.42 -0.23 0.00 -0.00 0.00 0.00 55.06 54.41 2kk8 s HIS 3 Cb 0.00 -4.54 -0.02 0.00 -0.00 0.00 0.00 32.58 28.02 2kk8 s HIS 3 CO 0.00 -1.93 0.76 -3.38 -0.00 0.00 0.00 174.74 170.19 2kk8 s HIS 4 N 6.21 3.37 -0.14 1.40 -0.00 -1.26 -5.04 115.29 119.83 2kk8 s HIS 4 Ca 0.50 1.10 -0.06 0.00 -0.00 0.00 0.00 55.06 56.60 2kk8 s HIS 4 Cb -0.03 -2.95 -0.04 0.00 -0.00 0.00 0.00 32.58 29.57 2kk8 s HIS 4 CO -0.05 -0.27 0.07 -1.01 -0.00 0.00 0.00 174.74 173.48 2kk8 s HIS 5 N 2.29 3.33 -2.01 0.38 0.09 -1.26 -4.95 115.29 113.16 2kk8 s HIS 5 Ca 0.34 0.23 0.12 0.00 -0.00 0.00 0.00 55.06 55.75 2kk8 s HIS 5 Cb -0.16 -1.98 0.36 0.00 -0.00 0.00 0.00 32.58 30.80 2kk8 s HIS 5 CO 0.10 0.38 1.30 0.72 -0.00 0.00 0.00 174.74 177.24 2kk8 n HIS 6 N 2.81 0.51 -2.37 1.40 -0.00 -1.26 -4.77 115.22 111.55 2kk8 n HIS 6 Ca -0.18 -0.25 -0.43 0.00 -0.00 0.00 0.00 57.72 56.86 2kk8 n HIS 6 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2kk8 n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk8 n HIS 7 N 0.63 3.84 0.00 4.41 -0.00 -1.26 -4.75 115.22 118.09 2kk8 n HIS 7 Ca 0.13 -2.97 0.00 0.00 -0.00 0.00 0.00 57.72 54.88 2kk8 n HIS 7 Cb 0.33 -2.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 2kk8 n HIS 7 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kk8 n HIS 8 N 5.58 0.00 -3.33 1.57 -0.00 -1.26 -5.13 115.22 112.66 2kk8 n HIS 8 Ca 0.44 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.71 2kk8 n HIS 8 Cb 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.33 2kk8 n HIS 8 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2kk8 s SER 9 N 0.00 6.17 0.00 4.39 1.04 -1.26 -4.92 113.70 119.13 2kk8 s SER 9 Ca 0.00 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.92 2kk8 s SER 9 Cb 0.00 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2kk8 s SER 9 CO 0.00 -0.78 0.00 1.41 0.98 0.00 0.00 173.24 174.85 2kk8 n HIS 10 N 5.33 0.00 -4.53 5.02 -0.00 -1.26 -4.73 115.22 115.05 2kk8 n HIS 10 Ca -0.13 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.34 2kk8 n HIS 10 Cb 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.31 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 0.00 1.79 -0.31 -0.41 1.00 0.76 -4.97 119.30 117.16 2kk8 s MET 11 Ca 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 55.69 53.74 2kk8 s MET 11 Cb 0.00 -1.63 0.10 0.00 0.00 0.00 0.00 34.83 33.30 2kk8 s MET 11 CO 0.00 0.12 0.13 0.15 0.00 0.00 0.00 175.02 175.42 2kk8 s LYS 12 N -3.63 0.44 -0.13 2.03 1.02 -1.26 -1.08 119.74 117.14 2kk8 s LYS 12 Ca 0.32 -0.83 -0.14 0.00 0.02 0.00 0.00 55.97 55.35 2kk8 s LYS 12 Cb 0.03 -1.51 -0.05 0.00 -0.52 0.00 0.00 37.83 35.78 2kk8 s LYS 12 CO 0.16 -1.02 0.32 -0.59 -0.92 0.00 0.00 175.35 173.29 2kk8 s PHE 13 N 1.80 3.51 -0.45 3.18 -0.71 -0.77 -4.69 117.98 119.85 2kk8 s PHE 13 Ca 0.10 0.68 -0.27 0.00 -1.04 0.00 0.00 56.93 56.39 2kk8 s PHE 13 Cb -0.17 -2.33 -0.02 0.00 -1.21 0.00 0.00 43.02 39.28 2kk8 s PHE 13 CO -0.29 0.31 1.87 -1.17 -1.34 0.00 0.00 175.22 174.60 2kk8 s LEU 14 N 0.19 3.41 -0.45 -1.99 2.96 -1.26 -1.02 118.68 120.52 2kk8 s LEU 14 Ca 0.18 0.90 -0.24 0.00 -0.22 0.00 0.00 54.13 54.76 2kk8 s LEU 14 Cb -0.14 -3.05 0.03 0.00 0.50 0.00 0.00 46.19 43.53 2kk8 s LEU 14 CO 0.06 -2.06 0.82 -0.69 -1.32 0.00 0.00 176.35 173.16 2kk8 s VAL 15 N 8.14 4.60 -0.11 1.68 1.01 0.12 -4.69 120.40 131.16 2kk8 s VAL 15 Ca 0.76 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 2kk8 s VAL 15 Cb -0.18 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2kk8 s VAL 15 CO 0.28 -0.75 -0.01 -0.70 0.00 0.00 0.00 175.10 173.92 2kk8 s GLU 16 N 3.41 3.17 0.02 2.72 2.12 -1.23 -0.95 118.70 127.96 2kk8 s GLU 16 Ca 0.32 -0.44 0.05 0.00 0.36 0.00 0.00 54.97 55.25 2kk8 s GLU 16 Cb -0.12 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.43 2kk8 s GLU 16 CO 0.24 0.57 -0.15 1.21 -0.54 0.00 0.00 175.26 176.58 2kk8 s ASN 17 N -0.52 1.81 0.20 -1.70 3.84 -1.26 -0.97 114.94 116.35 2kk8 s ASN 17 Ca 0.09 -0.39 0.04 0.00 0.21 0.00 0.00 52.86 52.81 2kk8 s ASN 17 Cb -0.12 -0.15 0.13 0.00 -0.55 0.00 0.00 41.25 40.56 2kk8 s ASN 17 CO 0.02 0.11 1.48 0.25 -2.79 0.00 0.00 177.10 176.17 2kk8 h LEU 18 N 5.25 0.23 -6.76 3.21 5.85 -1.97 -3.36 115.31 117.76 2kk8 h LEU 18 Ca -0.37 -0.16 -0.61 0.00 0.84 0.00 0.00 57.88 57.58 2kk8 h LEU 18 Cb 1.17 -0.07 -0.41 0.00 0.37 0.00 0.00 40.66 41.73 2kk8 h LEU 18 CO 0.46 0.88 -0.72 0.59 -0.34 0.00 0.00 178.44 179.31 2kk8 n ASN 19 N -3.75 1.83 0.00 1.25 3.02 -1.26 -5.00 115.26 111.34 2kk8 n ASN 19 Ca -0.03 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.59 2kk8 n ASN 19 Cb 0.71 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2kk8 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kk8 n GLY 20 N 2.16 -0.26 3.42 7.41 0.00 -1.26 -5.00 105.19 111.66 2kk8 n GLY 20 Ca 0.24 0.43 -0.16 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 -0.49 -0.22 1.61 0.15 -1.26 -4.96 113.70 104.53 2kk8 s SER 21 Ca 0.00 0.54 -0.25 0.00 0.70 0.00 0.00 55.95 56.93 2kk8 s SER 21 Cb 0.00 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 2kk8 s SER 21 CO 0.00 -0.52 0.86 -0.44 1.20 0.00 0.00 173.24 174.34 2kk8 s SER 22 N -1.10 6.90 -0.12 5.45 0.01 -1.26 -4.13 113.70 119.46 2kk8 s SER 22 Ca -0.11 1.12 -0.06 0.00 1.31 0.00 0.00 55.95 58.21 2kk8 s SER 22 Cb -0.02 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 63.80 2kk8 s SER 22 CO 0.07 -0.51 0.27 0.12 0.41 0.00 0.00 173.24 173.61 2kk8 s PHE 23 N 2.70 -0.37 -0.62 2.43 5.36 -0.13 -4.94 117.98 122.40 2kk8 s PHE 23 Ca 0.37 0.87 -0.27 0.00 -0.96 0.00 0.00 56.93 56.93 2kk8 s PHE 23 Cb -0.16 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.62 2kk8 s PHE 23 CO 0.09 -0.25 1.47 -1.21 -1.46 0.00 0.00 175.22 173.85 2kk8 s GLU 24 N 1.28 3.14 -0.01 10.12 2.02 -1.26 0.13 118.70 134.12 2kk8 s GLU 24 Ca -0.09 0.29 -0.25 0.00 0.02 0.00 0.00 54.97 54.94 2kk8 s GLU 24 Cb -0.10 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 29.89 2kk8 s GLU 24 CO -0.09 -2.16 0.76 -1.17 0.02 0.00 0.00 175.26 172.63 2kk8 s LEU 25 N 6.56 4.39 -0.13 1.80 0.20 -0.19 -4.68 118.68 126.64 2kk8 s LEU 25 Ca 0.50 1.37 -0.29 0.00 0.69 0.00 0.00 54.13 56.40 2kk8 s LEU 25 Cb -0.10 -3.21 -0.01 0.00 -0.43 0.00 0.00 46.19 42.43 2kk8 s LEU 25 CO 0.21 -0.07 0.98 -0.70 -0.29 0.00 0.00 176.35 176.48 2kk8 s GLU 26 N 0.42 4.39 0.05 1.98 2.12 -1.26 -1.84 118.70 124.56 2kk8 s GLU 26 Ca 0.40 1.33 -0.03 0.00 0.36 0.00 0.00 54.97 57.02 2kk8 s GLU 26 Cb -0.19 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2kk8 s GLU 26 CO 0.22 -0.34 0.04 0.54 -0.54 0.00 0.00 175.26 175.17 2kk8 s VAL 27 N 2.13 0.18 0.16 3.70 0.11 -0.24 -4.97 120.40 121.46 2kk8 s VAL 27 Ca 0.46 -1.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.09 2kk8 s VAL 27 Cb -0.18 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 2kk8 s VAL 27 CO 0.16 -0.81 0.17 -0.62 -3.33 0.00 0.00 175.10 170.66 2kk8 s ASP 28 N -2.62 5.70 0.58 3.54 -1.08 -1.26 -0.17 116.67 121.36 2kk8 s ASP 28 Ca 0.02 -0.06 0.31 0.00 -0.52 0.00 0.00 52.55 52.30 2kk8 s ASP 28 Cb 0.04 -1.55 1.77 0.00 -1.46 0.00 0.00 42.92 41.72 2kk8 s ASP 28 CO -0.08 0.07 2.21 1.88 0.52 0.00 0.00 175.17 179.77 2kk8 h TYR 29 N 2.40 0.00 0.00 -5.34 -1.99 -1.94 -2.01 116.97 108.09 2kk8 h TYR 29 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2kk8 h TYR 29 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.93 2kk8 h TYR 29 CO 0.57 0.04 0.00 -2.13 -0.00 0.00 0.00 178.16 176.64 2kk8 n ARG 30 N -3.68 0.09 -3.02 4.88 0.63 -1.26 -0.95 116.66 113.35 2kk8 n ARG 30 Ca -0.03 0.01 -0.34 0.00 -0.92 0.00 0.00 57.85 56.58 2kk8 n ARG 30 Cb 0.13 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.48 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 -2.90 6.94 0.55 6.15 1.01 -0.76 -4.87 116.67 122.80 2kk8 s ASP 31 Ca 0.17 1.46 -0.02 0.00 0.71 0.00 0.00 52.55 54.87 2kk8 s ASP 31 Cb 0.19 -2.44 0.02 0.00 1.01 0.00 0.00 42.92 41.70 2kk8 s ASP 31 CO 0.50 -0.16 0.81 0.42 0.21 0.00 0.00 175.17 176.94 2kk8 s THR 32 N -1.87 3.19 -1.12 -1.27 -4.23 -1.26 -0.35 115.64 108.73 2kk8 s THR 32 Ca 0.53 -0.42 0.15 0.00 -1.18 0.00 0.00 61.69 60.77 2kk8 s THR 32 Cb -0.12 -3.23 0.17 0.00 1.34 0.00 0.00 72.50 70.65 2kk8 s THR 32 CO 0.18 -0.19 1.48 0.18 -0.54 0.00 0.00 174.62 175.73 2kk8 n LEU 33 N -2.40 0.00 -0.08 4.79 4.77 -0.28 -1.63 117.00 122.16 2kk8 n LEU 33 Ca 0.05 0.44 -0.16 0.00 -0.03 0.00 0.00 56.01 56.32 2kk8 n LEU 33 Cb 0.59 -0.44 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 2kk8 n LEU 33 CO 0.48 -0.21 -0.08 0.25 -1.33 0.00 0.00 177.39 176.50 2kk8 h LEU 34 N 0.00 0.00 -1.05 2.23 5.85 -1.83 -3.31 115.31 117.20 2kk8 h LEU 34 Ca 0.00 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.09 2kk8 h LEU 34 Cb 0.23 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2kk8 h LEU 34 CO 0.00 1.15 0.64 0.58 -0.34 0.00 0.00 178.44 180.47 2kk8 h VAL 35 N -1.00 1.24 -0.09 1.05 2.07 -1.85 -2.09 116.25 115.58 2kk8 h VAL 35 Ca -0.15 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 2kk8 h VAL 35 Cb 1.02 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2kk8 h VAL 35 CO -0.09 0.24 -0.23 1.62 0.02 0.00 0.00 177.57 179.13 2kk8 h VAL 36 N 1.30 1.21 0.00 2.57 3.04 -1.49 -2.25 116.25 120.62 2kk8 h VAL 36 Ca 0.36 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 65.06 2kk8 h VAL 36 Cb -0.13 1.39 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2kk8 h VAL 36 CO -0.08 0.29 -0.11 0.11 -1.01 0.00 0.00 177.57 176.77 2kk8 h LYS 37 N 0.15 0.00 -0.18 4.17 1.57 -1.47 -0.92 116.57 119.89 2kk8 h LYS 37 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 2kk8 h LYS 37 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2kk8 h LYS 37 CO 0.03 0.11 -0.45 1.96 -0.57 0.00 0.00 179.45 180.53 2kk8 h GLN 38 N 0.00 0.44 -0.21 3.15 1.08 -1.33 0.66 115.11 118.90 2kk8 h GLN 38 Ca -0.00 -0.23 -0.15 0.00 -1.45 0.00 0.00 58.65 56.81 2kk8 h GLN 38 Cb 0.71 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2kk8 h GLN 38 CO 0.01 0.80 -0.47 0.87 -0.95 0.00 0.00 178.83 179.10 2kk8 h LYS 39 N 0.36 0.69 -0.19 1.46 1.57 -1.27 -3.12 116.57 116.07 2kk8 h LYS 39 Ca 0.02 -0.46 -0.12 0.00 -1.87 0.00 0.00 60.65 58.23 2kk8 h LYS 39 Cb 0.93 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2kk8 h LYS 39 CO 0.08 1.08 -0.38 0.82 -0.57 0.00 0.00 179.45 180.48 2kk8 h ILE 40 N 0.39 1.30 -0.41 1.86 2.04 -1.15 -2.57 117.51 118.97 2kk8 h ILE 40 Ca 0.00 -1.50 0.08 0.00 1.00 0.00 0.00 64.86 64.44 2kk8 h ILE 40 Cb 1.08 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.66 2kk8 h ILE 40 CO 0.10 0.46 -0.02 -0.08 0.00 0.00 0.00 178.15 178.62 2kk8 h GLU 41 N 0.36 0.08 -0.06 2.37 4.22 -0.81 0.24 114.58 120.97 2kk8 h GLU 41 Ca 0.04 -0.01 -0.14 0.00 0.08 0.00 0.00 59.36 59.33 2kk8 h GLU 41 Cb 0.83 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2kk8 h GLU 41 CO 0.07 0.06 -0.58 -0.09 -2.18 0.00 0.00 179.01 176.28 2kk8 h ARG 42 N 0.09 0.20 -0.02 1.92 2.43 -1.48 0.16 114.38 117.68 2kk8 h ARG 42 Ca 0.20 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2kk8 h ARG 42 Cb 0.29 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2kk8 h ARG 42 CO -0.35 0.72 -0.08 0.77 -1.51 0.00 0.00 179.97 179.52 2kk8 h SER 43 N 0.15 0.10 0.82 -3.80 0.02 -0.84 -3.24 113.55 106.76 2kk8 h SER 43 Ca -0.00 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 2kk8 h SER 43 Cb 1.07 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2kk8 h SER 43 CO 0.09 0.72 -0.53 0.00 -1.14 0.00 0.00 176.83 175.97 2kk8 n GLN 44 N -4.69 0.21 -2.95 3.45 1.13 0.72 -4.95 117.38 110.30 2kk8 n GLN 44 Ca -0.09 0.07 -0.17 0.00 -1.94 0.00 0.00 57.00 54.87 2kk8 n GLN 44 Cb 0.36 -1.64 0.04 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 -1.94 -1.67 -4.74 1.08 8.25 0.52 -4.94 115.22 111.77 2kk8 n HIS 45 Ca 0.04 0.49 -0.25 0.00 -0.26 0.00 0.00 57.72 57.73 2kk8 n HIS 45 Cb 0.41 -3.79 -0.16 0.00 1.12 0.00 0.00 29.99 27.56 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 -3.08 1.32 0.76 1.59 -4.36 -0.89 -5.02 121.20 111.52 2kk8 s ILE 46 Ca 0.28 -0.63 -0.15 0.00 -0.26 0.00 0.00 60.65 59.90 2kk8 s ILE 46 Cb -0.12 -1.16 0.04 0.00 1.25 0.00 0.00 42.46 42.47 2kk8 s ILE 46 CO 0.35 0.39 1.11 -0.81 0.24 0.00 0.00 174.94 176.22 2kk8 n PRO 47 N 3.41 0.39 0.26 0.37 -0.04 -1.26 -4.35 135.00 133.78 2kk8 n PRO 47 Ca -0.20 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2kk8 n PRO 47 Cb 0.53 -2.36 0.68 0.00 -0.04 0.00 0.00 33.50 32.30 2kk8 n PRO 47 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2kk8 h VAL 48 N -0.53 0.84 0.00 0.52 3.04 -1.95 0.02 116.25 118.19 2kk8 h VAL 48 Ca -0.47 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2kk8 h VAL 48 Cb 1.32 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 2kk8 h VAL 48 CO 0.47 0.09 0.00 -1.54 -1.01 0.00 0.00 177.57 175.58 2kk8 n SER 49 N -4.09 0.00 -0.15 3.17 3.41 -1.26 -2.57 113.62 112.12 2kk8 n SER 49 Ca -0.03 -0.07 0.02 0.00 -0.26 0.00 0.00 58.87 58.53 2kk8 n SER 49 Cb 0.18 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 63.87 2kk8 n SER 49 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kk8 n LYS 50 N -1.29 1.27 -3.95 4.33 4.81 -0.03 -4.92 118.16 118.38 2kk8 n LYS 50 Ca 0.12 -1.19 -0.26 0.00 -0.87 0.00 0.00 58.31 56.11 2kk8 n LYS 50 Cb 0.20 -1.07 -0.03 0.00 0.02 0.00 0.00 35.03 34.15 2kk8 n LYS 50 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2kk8 s GLN 51 N -0.65 3.43 -0.23 1.64 -0.21 -1.04 -0.07 119.66 122.54 2kk8 s GLN 51 Ca 0.05 -0.61 -0.04 0.00 0.02 0.00 0.00 55.36 54.78 2kk8 s GLN 51 Cb 0.03 -2.96 0.12 0.00 1.00 0.00 0.00 33.01 31.20 2kk8 s GLN 51 CO 0.04 0.52 0.40 0.99 -2.12 0.00 0.00 175.29 175.12 2kk8 s THR 52 N -1.75 -0.64 -0.33 -0.19 2.01 -1.09 -4.85 115.64 108.81 2kk8 s THR 52 Ca 0.34 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 2kk8 s THR 52 Cb -0.11 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.66 2kk8 s THR 52 CO 0.28 -0.03 1.09 -0.76 -0.69 0.00 0.00 174.62 174.52 2kk8 s LEU 53 N 2.59 3.92 -0.13 4.42 1.43 -1.26 -2.32 118.68 127.33 2kk8 s LEU 53 Ca 0.07 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2kk8 s LEU 53 Cb -0.14 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.55 2kk8 s LEU 53 CO -0.15 -0.91 -0.16 -0.63 0.23 0.00 0.00 176.35 174.73 2kk8 s ILE 54 N 3.74 1.63 -0.27 -0.59 1.01 -0.95 -0.01 121.20 125.76 2kk8 s ILE 54 Ca 0.46 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2kk8 s ILE 54 Cb -0.12 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 40.89 2kk8 s ILE 54 CO 0.17 0.47 -0.04 0.54 0.00 0.00 0.00 174.94 176.07 2kk8 s VAL 55 N 1.12 2.85 0.00 2.92 0.11 0.17 -1.69 120.40 125.88 2kk8 s VAL 55 Ca -0.03 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 2kk8 s VAL 55 Cb -0.14 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 2kk8 s VAL 55 CO -0.05 0.06 0.00 0.47 -3.33 0.00 0.00 175.10 172.25 2kk8 n ASP 56 N 4.63 0.00 0.00 3.54 8.00 0.92 -0.85 116.55 132.79 2kk8 n ASP 56 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2kk8 n ASP 56 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 -0.93 3.52 0.44 0.00 -1.26 -4.94 105.19 102.02 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 3.92 0.05 -0.61 1.01 -0.03 -5.10 121.20 120.44 2kk8 s ILE 58 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.08 2kk8 s ILE 58 Cb 0.00 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.71 2kk8 s ILE 58 CO 0.00 0.51 0.65 0.54 0.00 0.00 0.00 174.94 176.65 2kk8 s VAL 59 N 0.17 4.74 -0.34 2.92 0.11 -1.26 -0.65 120.40 126.09 2kk8 s VAL 59 Ca -0.01 1.40 -0.09 0.00 -2.93 0.00 0.00 61.98 60.34 2kk8 s VAL 59 Cb -0.14 -4.00 0.02 0.00 -1.53 0.00 0.00 36.38 30.73 2kk8 s VAL 59 CO 0.03 0.46 0.15 -0.63 -3.33 0.00 0.00 175.10 171.77 2kk8 s ILE 60 N -0.54 4.32 0.00 7.04 -1.09 0.98 -4.90 121.20 127.01 2kk8 s ILE 60 Ca 0.33 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 2kk8 s ILE 60 Cb -0.20 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2kk8 s ILE 60 CO 0.20 -0.08 0.75 0.18 -1.23 0.00 0.00 174.94 174.76 2kk8 n LEU 61 N 4.93 1.49 -4.48 2.97 4.77 -1.26 -4.23 117.00 121.19 2kk8 n LEU 61 Ca -0.13 -1.49 -0.43 0.00 -0.03 0.00 0.00 56.01 53.94 2kk8 n LEU 61 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2kk8 n LEU 61 CO 0.34 0.37 0.87 -0.13 -1.33 0.00 0.00 177.39 177.51 2kk8 s ARG 62 N -0.50 3.15 0.21 3.23 1.81 -1.26 -4.81 118.95 120.78 2kk8 s ARG 62 Ca 0.00 -0.72 0.24 0.00 -1.72 0.00 0.00 55.73 53.53 2kk8 s ARG 62 Cb 0.00 -4.25 0.91 0.00 -0.45 0.00 0.00 34.95 31.16 2kk8 s ARG 62 CO 0.00 -1.90 1.73 0.39 -0.68 0.00 0.00 175.30 174.84 2kk8 n GLU 63 N 8.10 0.19 0.23 3.54 -0.58 -1.26 -2.90 120.64 127.96 2kk8 n GLU 63 Ca -0.01 0.31 0.11 0.00 -0.42 0.00 0.00 57.16 57.15 2kk8 n GLU 63 Cb 0.46 -1.80 0.49 0.00 -0.57 0.00 0.00 31.44 30.02 2kk8 n GLU 63 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2kk8 h ASP 64 N 0.00 0.00 -3.49 1.62 3.58 -1.98 -3.39 116.42 112.76 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 0.50 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2kk8 h ASP 64 CO 0.00 0.20 0.21 -0.76 -2.88 0.00 0.00 179.24 176.01 2kk8 s LEU 65 N -6.74 4.50 0.17 2.28 1.43 -1.14 -4.95 118.68 114.23 2kk8 s LEU 65 Ca 0.00 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 2kk8 s LEU 65 Cb 0.10 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.92 2kk8 s LEU 65 CO 0.63 0.05 0.51 -0.89 0.23 0.00 0.00 176.35 176.88 2kk8 s THR 66 N -0.37 4.95 0.25 5.49 2.01 -1.26 -1.13 115.64 125.59 2kk8 s THR 66 Ca 0.40 0.54 -0.03 0.00 0.31 0.00 0.00 61.69 62.90 2kk8 s THR 66 Cb -0.22 -3.66 0.23 0.00 0.01 0.00 0.00 72.50 68.86 2kk8 s THR 66 CO 0.26 0.09 1.74 0.58 -0.69 0.00 0.00 174.62 176.59 2kk8 h VAL 67 N 2.37 0.68 -0.27 3.82 2.07 -0.75 0.04 116.25 124.21 2kk8 h VAL 67 Ca -0.48 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 66.90 2kk8 h VAL 67 Cb 1.18 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2kk8 h VAL 67 CO 0.68 0.09 0.08 -0.08 0.02 0.00 0.00 177.57 178.36 2kk8 h GLU 68 N 0.50 0.19 0.00 1.57 4.81 -1.28 -0.82 114.58 119.55 2kk8 h GLU 68 Ca 0.44 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 2kk8 h GLU 68 Cb 0.65 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2kk8 h GLU 68 CO -0.39 0.13 -0.45 1.96 -0.73 0.00 0.00 179.01 179.52 2kk8 h GLN 69 N 0.20 0.00 0.00 1.92 4.20 -1.51 -2.89 115.11 117.02 2kk8 h GLN 69 Ca 0.12 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.65 2kk8 h GLN 69 Cb 0.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2kk8 h GLN 69 CO -0.14 0.45 -0.85 0.00 -0.67 0.00 0.00 178.83 177.62 2kk8 n GLN 71 N -3.40 -1.56 -2.35 0.00 1.13 -0.35 -4.87 117.38 105.98 2kk8 n GLN 71 Ca 0.00 1.24 -0.37 0.00 -1.94 0.00 0.00 57.00 55.94 2kk8 n GLN 71 Cb 0.85 -5.49 -0.04 0.00 0.11 0.00 0.00 30.24 25.67 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 -3.12 3.67 0.01 5.09 1.01 -1.25 -4.97 121.20 121.64 2kk8 s ILE 72 Ca 0.14 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 2kk8 s ILE 72 Cb -0.02 -4.59 -0.03 0.00 0.01 0.00 0.00 42.46 37.83 2kk8 s ILE 72 CO 0.76 -1.51 1.02 0.68 0.00 0.00 0.00 174.94 175.90 2kk8 s VAL 73 N 7.08 4.71 -2.00 2.92 -7.23 -1.26 -4.92 120.40 119.70 2kk8 s VAL 73 Ca 0.53 1.94 0.15 0.00 -1.81 0.00 0.00 61.98 62.79 2kk8 s VAL 73 Cb -0.06 -4.25 0.41 0.00 0.56 0.00 0.00 36.38 33.05 2kk8 s VAL 73 CO 0.03 0.14 1.29 -2.65 -0.31 0.00 0.00 175.10 173.60 2kk8 n PRO 74 N 3.96 0.53 0.00 4.82 -0.02 -1.26 -2.20 135.00 140.84 2kk8 n PRO 74 Ca 0.07 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.68 2kk8 n PRO 74 Cb 0.50 -1.43 0.39 0.00 -0.02 0.00 0.00 33.50 32.95 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 -0.93 0.00 -2.65 3.45 5.66 -1.26 -4.91 114.28 113.64 2kk8 n THR 75 Ca 0.11 -0.20 -0.23 0.00 -3.05 0.00 0.00 64.05 60.68 2kk8 n THR 75 Cb 0.05 0.55 0.03 0.00 -1.55 0.00 0.00 70.33 69.42 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 -2.28 5.38 -0.78 1.09 1.04 -0.93 -5.02 113.70 112.21 2kk8 s SER 76 Ca 0.29 0.18 -0.23 0.00 0.48 0.00 0.00 55.95 56.68 2kk8 s SER 76 Cb 0.20 -1.14 0.07 0.00 0.10 0.00 0.00 66.02 65.25 2kk8 s SER 76 CO 0.44 -1.08 1.15 -0.62 0.98 0.00 0.00 173.24 174.11 2kk8 s ASP 77 N -4.37 6.29 -0.45 7.02 2.15 -1.26 -4.92 116.67 121.12 2kk8 s ASP 77 Ca 0.55 -1.08 -0.22 0.00 0.43 0.00 0.00 52.55 52.24 2kk8 s ASP 77 Cb -0.10 -2.48 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2kk8 s ASP 77 CO 0.40 -1.50 0.71 -0.63 -0.17 0.00 0.00 175.17 173.97 2kk8 s ILE 78 N 4.44 4.74 -0.04 4.11 1.01 -1.26 -0.06 121.20 134.15 2kk8 s ILE 78 Ca 0.31 0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.17 2kk8 s ILE 78 Cb -0.10 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.11 2kk8 s ILE 78 CO 0.05 -0.69 -0.08 -1.58 0.00 0.00 0.00 174.94 172.65 2kk8 s GLN 79 N 3.04 1.01 -0.18 2.79 2.00 -0.68 -3.51 119.66 124.13 2kk8 s GLN 79 Ca 0.25 -0.25 -0.11 0.00 -2.00 0.00 0.00 55.36 53.25 2kk8 s GLN 79 Cb -0.14 -0.94 -0.05 0.00 0.80 0.00 0.00 33.01 32.69 2kk8 s GLN 79 CO 0.20 0.04 0.20 -0.51 -0.50 0.00 0.00 175.29 174.71 2kk8 s LEU 80 N 0.49 4.24 -0.47 3.68 1.43 -0.14 -2.24 118.68 125.67 2kk8 s LEU 80 Ca -0.08 0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.22 2kk8 s LEU 80 Cb -0.11 -2.20 0.06 0.00 0.03 0.00 0.00 46.19 43.96 2kk8 s LEU 80 CO 0.01 0.17 0.44 -0.70 0.23 0.00 0.00 176.35 176.49 2kk8 s GLU 81 N 0.29 3.02 -0.31 1.70 2.12 -0.98 -3.92 118.70 120.62 2kk8 s GLU 81 Ca 0.12 -1.16 -0.29 0.00 0.36 0.00 0.00 54.97 54.00 2kk8 s GLU 81 Cb -0.12 -4.09 -0.00 0.00 0.26 0.00 0.00 34.13 30.17 2kk8 s GLU 81 CO 0.01 -1.02 1.43 0.54 -0.54 0.00 0.00 175.26 175.67 2kk8 s VAL 82 N 1.91 3.95 -0.26 3.70 0.11 -1.26 -2.67 120.40 125.88 2kk8 s VAL 82 Ca 0.07 1.04 -0.34 0.00 -2.93 0.00 0.00 61.98 59.83 2kk8 s VAL 82 Cb -0.22 -4.03 -0.11 0.00 -1.53 0.00 0.00 36.38 30.49 2kk8 s VAL 82 CO 0.09 -0.49 2.08 -0.24 -3.33 0.00 0.00 175.10 173.21 2kk8 n SER 83 N 8.22 2.68 0.00 3.54 2.88 0.89 -5.02 113.62 126.81 2kk8 n SER 83 Ca 0.16 0.57 0.10 0.00 -1.33 0.00 0.00 58.87 58.37 2kk8 n SER 83 Cb 0.47 -1.33 0.58 0.00 -0.75 0.00 0.00 64.21 63.17 2kk8 n SER 83 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61