#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 0.08 3.07 3.03 0.00 -1.26 -4.89 105.19 105.22 2kk8 n GLY 2 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 0.65 0.16 1.61 0.09 -1.26 -5.16 115.29 111.38 2kk8 s HIS 3 Ca 0.00 -0.60 0.04 0.00 -0.00 0.00 0.00 55.06 54.50 2kk8 s HIS 3 Cb 0.00 -0.39 -0.04 0.00 -0.00 0.00 0.00 32.58 32.15 2kk8 s HIS 3 CO 0.00 -0.12 0.18 -3.38 -0.00 0.00 0.00 174.74 171.41 2kk8 s HIS 4 N -1.91 3.24 -0.17 1.40 0.00 -1.26 -5.10 115.29 111.48 2kk8 s HIS 4 Ca -0.06 0.02 -0.08 0.00 -3.00 0.00 0.00 55.06 51.94 2kk8 s HIS 4 Cb -0.06 -1.55 -0.04 0.00 -4.00 0.00 0.00 32.58 26.92 2kk8 s HIS 4 CO -0.01 0.52 0.09 -1.01 -1.00 0.00 0.00 174.74 173.33 2kk8 s HIS 5 N -1.75 3.35 -0.16 0.38 4.02 -1.26 -5.07 115.29 114.79 2kk8 s HIS 5 Ca 0.32 0.23 -0.18 0.00 1.02 0.00 0.00 55.06 56.45 2kk8 s HIS 5 Cb -0.10 -2.05 -0.04 0.00 -1.02 0.00 0.00 32.58 29.37 2kk8 s HIS 5 CO 0.25 0.32 0.50 -3.38 1.02 0.00 0.00 174.74 173.44 2kk8 s HIS 6 N 0.02 3.44 -0.13 1.40 0.00 -1.26 -5.04 115.29 113.72 2kk8 s HIS 6 Ca 0.07 0.83 -0.04 0.00 -3.00 0.00 0.00 55.06 52.92 2kk8 s HIS 6 Cb -0.12 -2.61 0.06 0.00 -4.00 0.00 0.00 32.58 25.91 2kk8 s HIS 6 CO 0.00 0.03 0.14 -1.01 -1.00 0.00 0.00 174.74 172.90 2kk8 s HIS 7 N 1.16 -0.07 -0.90 0.38 0.09 -1.26 -5.09 115.29 109.59 2kk8 s HIS 7 Ca 0.25 0.20 -0.23 0.00 -0.00 0.00 0.00 55.06 55.28 2kk8 s HIS 7 Cb -0.15 -0.44 0.07 0.00 -0.00 0.00 0.00 32.58 32.06 2kk8 s HIS 7 CO 0.10 -0.42 1.29 -1.01 -0.00 0.00 0.00 174.74 174.70 2kk8 s HIS 8 N 2.24 2.63 -0.16 1.40 4.02 -1.26 -4.70 115.29 119.46 2kk8 s HIS 8 Ca 0.04 -0.78 0.22 0.00 1.02 0.00 0.00 55.06 55.56 2kk8 s HIS 8 Cb -0.14 -4.55 -0.12 0.00 -1.02 0.00 0.00 32.58 26.75 2kk8 s HIS 8 CO -0.08 -1.83 0.83 0.43 1.02 0.00 0.00 174.74 175.11 2kk8 n SER 9 N 8.32 0.56 -4.64 1.40 7.64 -1.26 -4.85 113.62 120.79 2kk8 n SER 9 Ca 0.21 0.22 -0.36 0.00 1.01 0.00 0.00 58.87 59.95 2kk8 n SER 9 Cb 0.50 0.94 -0.10 0.00 -1.01 0.00 0.00 64.21 64.54 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 -3.37 3.29 -0.05 1.43 0.09 -1.26 -1.18 115.29 114.24 2kk8 s HIS 10 Ca -0.03 0.14 0.01 0.00 -0.00 0.00 0.00 55.06 55.17 2kk8 s HIS 10 Cb 0.11 -2.20 0.02 0.00 -0.00 0.00 0.00 32.58 30.51 2kk8 s HIS 10 CO 0.83 0.08 -0.04 -1.64 -0.00 0.00 0.00 174.74 173.97 2kk8 s MET 11 N 0.82 0.83 -0.21 1.40 1.00 0.92 -4.93 119.30 119.12 2kk8 s MET 11 Ca 0.06 -0.10 -0.28 0.00 0.00 0.00 0.00 55.69 55.37 2kk8 s MET 11 Cb -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 34.83 33.85 2kk8 s MET 11 CO 0.02 -0.10 0.99 0.15 0.00 0.00 0.00 175.02 176.09 2kk8 s LYS 12 N 0.98 4.28 -0.09 2.03 1.02 -1.26 -0.11 119.74 126.60 2kk8 s LYS 12 Ca -0.10 1.28 0.03 0.00 0.02 0.00 0.00 55.97 57.21 2kk8 s LYS 12 Cb -0.14 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 2kk8 s LYS 12 CO -0.00 -0.55 -0.20 -0.59 -0.92 0.00 0.00 175.35 173.09 2kk8 s PHE 13 N 2.90 2.61 -0.39 3.18 -0.71 0.21 -4.89 117.98 120.90 2kk8 s PHE 13 Ca 0.43 -0.69 -0.25 0.00 -1.04 0.00 0.00 56.93 55.39 2kk8 s PHE 13 Cb -0.16 -1.70 0.02 0.00 -1.21 0.00 0.00 43.02 39.97 2kk8 s PHE 13 CO 0.08 -0.20 0.86 -1.17 -1.34 0.00 0.00 175.22 173.45 2kk8 s LEU 14 N 0.01 4.07 -0.24 -1.99 2.96 -1.26 -1.48 118.68 120.75 2kk8 s LEU 14 Ca -0.07 0.35 -0.20 0.00 -0.22 0.00 0.00 54.13 54.00 2kk8 s LEU 14 Cb -0.15 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.38 2kk8 s LEU 14 CO 0.05 -0.85 0.59 0.68 -1.32 0.00 0.00 176.35 175.50 2kk8 s VAL 15 N 3.37 5.02 -0.39 1.68 -7.23 0.08 -4.66 120.40 118.27 2kk8 s VAL 15 Ca 0.35 1.06 -0.16 0.00 -1.81 0.00 0.00 61.98 61.42 2kk8 s VAL 15 Cb -0.12 -3.90 0.01 0.00 0.56 0.00 0.00 36.38 32.93 2kk8 s VAL 15 CO 0.20 0.07 0.39 -0.70 -0.31 0.00 0.00 175.10 174.74 2kk8 s GLU 16 N 2.29 3.25 -0.17 4.82 2.56 -1.13 -2.44 118.70 127.89 2kk8 s GLU 16 Ca 0.25 -0.67 -0.11 0.00 0.00 0.00 0.00 54.97 54.44 2kk8 s GLU 16 Cb -0.16 -3.91 -0.05 0.00 2.00 0.00 0.00 34.13 32.02 2kk8 s GLU 16 CO 0.09 -0.71 0.19 1.21 -0.56 0.00 0.00 175.26 175.47 2kk8 s ASN 17 N 1.76 6.31 0.26 -1.70 2.47 -1.26 -0.22 114.94 122.57 2kk8 s ASN 17 Ca 0.11 0.36 -0.03 0.00 0.42 0.00 0.00 52.86 53.72 2kk8 s ASN 17 Cb -0.17 -2.12 0.43 0.00 -1.45 0.00 0.00 41.25 37.94 2kk8 s ASN 17 CO 0.12 0.19 1.84 0.25 -3.72 0.00 0.00 177.10 175.78 2kk8 h LEU 18 N 6.39 0.85 -6.77 3.21 5.85 -1.57 -3.32 115.31 119.95 2kk8 h LEU 18 Ca -0.43 0.03 -0.60 0.00 0.84 0.00 0.00 57.88 57.73 2kk8 h LEU 18 Cb 1.17 -0.14 -0.39 0.00 0.37 0.00 0.00 40.66 41.66 2kk8 h LEU 18 CO 0.73 0.50 -0.80 0.21 -0.34 0.00 0.00 178.44 178.74 2kk8 s ASN 19 N -5.72 3.22 0.00 1.25 3.84 -1.26 -5.05 114.94 111.22 2kk8 s ASN 19 Ca -0.12 -2.49 0.00 0.00 0.21 0.00 0.00 52.86 50.45 2kk8 s ASN 19 Cb 0.20 -0.73 0.00 0.00 -0.55 0.00 0.00 41.25 40.17 2kk8 s ASN 19 CO 0.80 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 175.44 2kk8 n GLY 20 N 3.68 -0.67 3.10 1.21 0.00 -1.25 -5.03 105.19 106.23 2kk8 n GLY 20 Ca 0.12 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2kk8 n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kk8 s SER 21 N -4.00 1.80 0.11 1.61 0.01 -1.26 -4.95 113.70 107.02 2kk8 s SER 21 Ca 0.00 -0.28 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 2kk8 s SER 21 Cb 0.00 -0.37 -0.07 0.00 0.21 0.00 0.00 66.02 65.80 2kk8 s SER 21 CO 0.00 0.15 1.23 -0.44 0.41 0.00 0.00 173.24 174.59 2kk8 s SER 22 N -0.10 7.05 -0.01 2.44 0.01 -1.26 -4.51 113.70 117.31 2kk8 s SER 22 Ca 0.01 2.13 -0.00 0.00 1.31 0.00 0.00 55.95 59.39 2kk8 s SER 22 Cb -0.08 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2kk8 s SER 22 CO 0.01 -0.46 0.02 0.12 0.41 0.00 0.00 173.24 173.34 2kk8 s PHE 23 N 0.70 0.00 -0.75 2.43 5.36 -1.02 -4.98 117.98 119.72 2kk8 s PHE 23 Ca 0.58 0.08 -0.18 0.00 -0.96 0.00 0.00 56.93 56.45 2kk8 s PHE 23 Cb -0.32 -0.10 0.14 0.00 -0.34 0.00 0.00 43.02 42.41 2kk8 s PHE 23 CO 0.32 -0.04 0.85 -1.21 -1.46 0.00 0.00 175.22 173.67 2kk8 s GLU 24 N 0.48 3.34 -0.08 10.12 2.02 -1.26 -0.74 118.70 132.57 2kk8 s GLU 24 Ca -0.04 -1.72 -0.17 0.00 0.02 0.00 0.00 54.97 53.07 2kk8 s GLU 24 Cb -0.06 -4.49 -0.05 0.00 0.10 0.00 0.00 34.13 29.63 2kk8 s GLU 24 CO -0.01 -1.56 0.44 -1.17 0.02 0.00 0.00 175.26 172.98 2kk8 s LEU 25 N 2.11 4.34 -0.55 1.80 0.20 -0.55 -4.77 118.68 121.26 2kk8 s LEU 25 Ca 0.19 0.84 -0.26 0.00 0.69 0.00 0.00 54.13 55.59 2kk8 s LEU 25 Cb -0.15 -2.64 0.03 0.00 -0.43 0.00 0.00 46.19 43.01 2kk8 s LEU 25 CO -0.02 0.11 1.07 -0.70 -0.29 0.00 0.00 176.35 176.52 2kk8 s GLU 26 N 0.08 3.45 0.35 1.98 2.12 -1.26 -0.62 118.70 124.80 2kk8 s GLU 26 Ca 0.24 0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.69 2kk8 s GLU 26 Cb -0.15 -4.02 -0.01 0.00 0.26 0.00 0.00 34.13 30.21 2kk8 s GLU 26 CO 0.11 -1.55 0.49 0.54 -0.54 0.00 0.00 175.26 174.31 2kk8 s VAL 27 N 4.42 3.96 0.06 3.70 0.11 0.85 -4.84 120.40 128.65 2kk8 s VAL 27 Ca 0.38 -0.98 0.09 0.00 -2.93 0.00 0.00 61.98 58.54 2kk8 s VAL 27 Cb -0.10 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 2kk8 s VAL 27 CO 0.23 -0.15 -0.23 -0.62 -3.33 0.00 0.00 175.10 171.00 2kk8 s ASP 28 N -4.19 3.42 0.59 3.54 -1.08 -1.26 -0.05 116.67 117.63 2kk8 s ASP 28 Ca 0.46 -0.55 0.32 0.00 -0.52 0.00 0.00 52.55 52.26 2kk8 s ASP 28 Cb -0.10 -0.40 1.86 0.00 -1.46 0.00 0.00 42.92 42.83 2kk8 s ASP 28 CO 0.32 0.25 2.24 1.88 0.52 0.00 0.00 175.17 180.37 2kk8 h TYR 29 N 4.57 0.00 0.00 -5.34 0.05 -1.52 0.32 116.97 115.05 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 1.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.89 2kk8 h TYR 29 CO 0.52 0.02 -0.28 -0.09 -1.05 0.00 0.00 178.16 177.28 2kk8 h ARG 30 N 0.00 0.00 -6.41 4.88 2.43 -1.95 -1.23 114.38 112.10 2kk8 h ARG 30 Ca -0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 2kk8 h ARG 30 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2kk8 h ARG 30 CO 0.00 0.00 0.76 0.34 -1.51 0.00 0.00 179.97 179.56 2kk8 s ASP 31 N -4.90 6.90 0.44 -3.80 -1.08 0.10 -4.81 116.67 109.52 2kk8 s ASP 31 Ca 0.07 2.10 -0.21 0.00 -0.52 0.00 0.00 52.55 54.00 2kk8 s ASP 31 Cb 0.11 -2.57 -0.10 0.00 -1.46 0.00 0.00 42.92 38.90 2kk8 s ASP 31 CO 0.67 -0.66 0.96 -0.89 0.52 0.00 0.00 175.17 175.77 2kk8 s THR 32 N 1.97 4.33 0.46 1.71 2.01 -1.26 -1.70 115.64 123.17 2kk8 s THR 32 Ca 0.62 1.43 0.12 0.00 0.31 0.00 0.00 61.69 64.17 2kk8 s THR 32 Cb -0.31 -3.59 0.25 0.00 0.01 0.00 0.00 72.50 68.85 2kk8 s THR 32 CO 0.27 -0.34 2.08 -0.07 -0.69 0.00 0.00 174.62 175.87 2kk8 h LEU 33 N 1.79 0.19 -0.95 4.42 3.38 -1.15 0.28 115.31 123.26 2kk8 h LEU 33 Ca -0.49 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 2kk8 h LEU 33 Cb 1.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2kk8 h LEU 33 CO 0.61 0.18 -0.44 0.25 0.09 0.00 0.00 178.44 179.13 2kk8 h LEU 34 N 0.22 0.00 0.23 1.67 5.85 -1.51 -2.92 115.31 118.85 2kk8 h LEU 34 Ca 0.06 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.43 2kk8 h LEU 34 Cb 0.05 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.11 2kk8 h LEU 34 CO -0.01 0.44 -1.60 0.58 -0.34 0.00 0.00 178.44 177.51 2kk8 h VAL 35 N 0.00 1.13 -0.20 1.05 2.07 -0.87 -3.20 116.25 116.23 2kk8 h VAL 35 Ca -0.00 -2.62 -0.04 0.00 0.82 0.00 0.00 66.70 64.85 2kk8 h VAL 35 Cb 0.91 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 2kk8 h VAL 35 CO 0.06 0.83 -0.07 1.62 0.02 0.00 0.00 177.57 180.02 2kk8 h VAL 36 N 0.13 1.17 -0.43 2.57 3.04 -0.91 -1.91 116.25 119.91 2kk8 h VAL 36 Ca -0.30 -0.72 -0.00 0.00 -1.01 0.00 0.00 66.70 64.67 2kk8 h VAL 36 Cb 2.15 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 32.51 2kk8 h VAL 36 CO 0.24 0.23 0.25 0.11 -1.01 0.00 0.00 177.57 177.39 2kk8 h LYS 37 N 0.30 0.58 -0.54 4.17 1.57 -1.54 -1.27 116.57 119.84 2kk8 h LYS 37 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2kk8 h LYS 37 Cb 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2kk8 h LYS 37 CO 0.02 0.42 0.30 1.96 -0.57 0.00 0.00 179.45 181.57 2kk8 h GLN 38 N 0.60 0.73 0.05 3.15 1.08 -1.34 0.24 115.11 119.62 2kk8 h GLN 38 Ca 0.16 -0.07 -0.24 0.00 -1.45 0.00 0.00 58.65 57.05 2kk8 h GLN 38 Cb -0.01 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.27 2kk8 h GLN 38 CO -0.03 0.54 -1.04 0.87 -0.95 0.00 0.00 178.83 178.22 2kk8 h LYS 39 N 0.74 0.28 -0.25 1.46 1.57 -1.26 -2.63 116.57 116.48 2kk8 h LYS 39 Ca 0.19 -0.36 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 2kk8 h LYS 39 Cb 0.01 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2kk8 h LYS 39 CO -0.03 1.10 -0.48 0.82 -0.57 0.00 0.00 179.45 180.29 2kk8 h ILE 40 N 0.13 1.30 -0.70 1.86 2.04 -0.69 -2.29 117.51 119.16 2kk8 h ILE 40 Ca -0.09 -1.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.04 2kk8 h ILE 40 Cb 1.72 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 2kk8 h ILE 40 CO 0.17 0.53 0.23 -0.08 0.00 0.00 0.00 178.15 179.00 2kk8 h GLU 41 N 0.52 1.07 -0.31 2.37 4.81 -0.54 0.16 114.58 122.66 2kk8 h GLU 41 Ca 0.03 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 2kk8 h GLU 41 Cb 1.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2kk8 h GLU 41 CO 0.10 0.91 0.02 -0.09 -0.73 0.00 0.00 179.01 179.21 2kk8 h ARG 42 N 1.03 0.54 0.06 1.92 2.43 -1.32 -0.06 114.38 118.98 2kk8 h ARG 42 Ca 0.23 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2kk8 h ARG 42 Cb 0.28 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2kk8 h ARG 42 CO -0.01 0.66 -0.03 0.66 -1.51 0.00 0.00 179.97 179.74 2kk8 h SER 43 N 0.34 -0.07 1.81 -3.80 4.64 -1.22 -3.34 113.55 111.91 2kk8 h SER 43 Ca 0.09 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2kk8 h SER 43 Cb 0.40 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2kk8 h SER 43 CO 0.01 0.60 0.00 1.56 -0.87 0.00 0.00 176.83 178.13 2kk8 h GLN 44 N -0.97 0.00 -1.13 4.77 1.08 -0.81 -3.47 115.11 114.58 2kk8 h GLN 44 Ca -0.01 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.93 2kk8 h GLN 44 Cb 0.47 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.84 2kk8 h GLN 44 CO 0.01 0.00 -0.28 0.72 -0.95 0.00 0.00 178.83 178.34 2kk8 n HIS 45 N -3.01 -0.26 -3.92 2.96 8.25 -0.04 -4.99 115.22 114.22 2kk8 n HIS 45 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.14 2kk8 n HIS 45 Cb 0.49 -2.55 -0.11 0.00 1.12 0.00 0.00 29.99 28.94 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 -2.55 4.52 0.55 1.59 -4.36 -1.23 -5.03 121.20 114.69 2kk8 s ILE 46 Ca 0.00 -0.12 -0.20 0.00 -0.26 0.00 0.00 60.65 60.07 2kk8 s ILE 46 Cb 0.00 -3.07 -0.07 0.00 1.25 0.00 0.00 42.46 40.57 2kk8 s ILE 46 CO 0.00 0.40 0.97 -2.65 0.24 0.00 0.00 174.94 173.89 2kk8 n PRO 47 N 4.22 1.04 -0.31 0.37 -0.02 -1.26 -4.04 135.00 135.00 2kk8 n PRO 47 Ca -0.16 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 2kk8 n PRO 47 Cb 0.52 -2.13 0.37 0.00 -0.02 0.00 0.00 33.50 32.24 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 0.79 0.77 0.00 -1.45 2.07 -1.96 0.13 116.25 116.60 2kk8 h VAL 48 Ca -0.47 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2kk8 h VAL 48 Cb 1.36 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2kk8 h VAL 48 CO 0.52 0.13 -0.06 0.28 0.02 0.00 0.00 177.57 178.46 2kk8 h SER 49 N 0.70 0.00 -0.14 0.57 0.02 -1.98 -2.69 113.55 110.03 2kk8 h SER 49 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2kk8 h SER 49 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2kk8 h SER 49 CO -0.27 0.06 0.00 0.29 -1.14 0.00 0.00 176.83 175.78 2kk8 n LYS 50 N -3.27 2.22 -3.13 3.45 5.02 0.42 -4.80 118.16 118.06 2kk8 n LYS 50 Ca -0.01 -1.97 -0.43 0.00 -2.02 0.00 0.00 58.31 53.88 2kk8 n LYS 50 Cb 0.26 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.72 3.18 -0.44 1.97 -0.21 -1.02 -0.66 119.66 120.77 2kk8 s GLN 51 Ca 0.30 -0.67 -0.19 0.00 0.02 0.00 0.00 55.36 54.82 2kk8 s GLN 51 Cb 0.20 -4.04 0.03 0.00 1.00 0.00 0.00 33.01 30.19 2kk8 s GLN 51 CO 0.29 -1.16 0.52 0.99 -2.12 0.00 0.00 175.29 173.81 2kk8 s THR 52 N 2.77 4.99 -0.67 -0.19 2.01 -0.34 -4.98 115.64 119.23 2kk8 s THR 52 Ca 0.18 -0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.68 2kk8 s THR 52 Cb -0.17 -4.12 0.04 0.00 0.01 0.00 0.00 72.50 68.26 2kk8 s THR 52 CO 0.15 -0.53 1.14 -0.76 -0.69 0.00 0.00 174.62 173.93 2kk8 s LEU 53 N 2.39 3.66 -0.75 4.42 1.43 -1.26 -1.93 118.68 126.64 2kk8 s LEU 53 Ca 0.15 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 2kk8 s LEU 53 Cb -0.17 -2.64 0.20 0.00 0.03 0.00 0.00 46.19 43.61 2kk8 s LEU 53 CO 0.15 -1.60 0.63 -0.63 0.23 0.00 0.00 176.35 175.13 2kk8 s ILE 54 N 4.94 4.72 -0.11 -0.59 1.01 -0.35 -0.57 121.20 130.25 2kk8 s ILE 54 Ca 0.32 -2.79 -0.03 0.00 0.00 0.00 0.00 60.65 58.15 2kk8 s ILE 54 Cb -0.11 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2kk8 s ILE 54 CO 0.16 -0.97 0.00 0.68 0.00 0.00 0.00 174.94 174.81 2kk8 s VAL 55 N -0.06 4.28 0.00 2.92 -7.23 -0.69 -0.15 120.40 119.47 2kk8 s VAL 55 Ca 0.18 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 2kk8 s VAL 55 Cb -0.15 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2kk8 s VAL 55 CO -0.06 0.57 0.00 -0.67 -0.31 0.00 0.00 175.10 174.62 2kk8 n ASP 56 N 2.55 -2.70 0.00 4.85 2.03 0.10 -1.11 116.55 122.27 2kk8 n ASP 56 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2kk8 n ASP 56 Cb 0.53 -1.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 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 -1.31 0.60 3.43 0.27 0.00 -1.26 -4.93 105.19 102.00 2kk8 n GLY 57 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.29 3.19 -0.06 -0.61 -1.09 -0.27 -5.08 121.20 115.00 2kk8 s ILE 58 Ca 0.00 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 2kk8 s ILE 58 Cb 0.00 -2.32 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 2kk8 s ILE 58 CO 0.00 0.55 1.16 0.54 -1.23 0.00 0.00 174.94 175.95 2kk8 s VAL 59 N -0.08 4.37 -0.08 2.92 0.11 -1.26 -1.71 120.40 124.68 2kk8 s VAL 59 Ca -0.02 1.68 -0.24 0.00 -2.93 0.00 0.00 61.98 60.48 2kk8 s VAL 59 Cb -0.14 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 2kk8 s VAL 59 CO 0.04 0.01 0.72 -0.63 -3.33 0.00 0.00 175.10 171.91 2kk8 s ILE 60 N 2.10 5.02 -0.10 7.04 -1.09 0.27 -4.93 121.20 129.51 2kk8 s ILE 60 Ca 0.54 1.48 0.05 0.00 -2.23 0.00 0.00 60.65 60.49 2kk8 s ILE 60 Cb -0.23 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.49 2kk8 s ILE 60 CO 0.21 0.22 -0.03 0.18 -1.23 0.00 0.00 174.94 174.30 2kk8 n LEU 61 N 3.96 1.34 -4.52 2.97 4.77 -1.26 -4.62 117.00 119.64 2kk8 n LEU 61 Ca -0.00 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 2kk8 n LEU 61 Cb 0.51 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2kk8 n LEU 61 CO 0.47 0.43 1.11 -0.13 -1.33 0.00 0.00 177.39 177.94 2kk8 s ARG 62 N -2.22 3.28 0.00 3.23 1.81 -1.26 -4.82 118.95 118.97 2kk8 s ARG 62 Ca -0.09 -0.69 0.27 0.00 -1.72 0.00 0.00 55.73 53.49 2kk8 s ARG 62 Cb 0.03 -4.49 0.87 0.00 -0.45 0.00 0.00 34.95 30.91 2kk8 s ARG 62 CO 0.32 -2.05 1.67 0.39 -0.68 0.00 0.00 175.30 174.95 2kk8 n GLU 63 N 8.62 0.00 0.00 3.54 1.02 -1.26 -3.55 120.64 129.01 2kk8 n GLU 63 Ca 0.09 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.37 2kk8 n GLU 63 Cb 0.48 -1.50 0.68 0.00 -0.02 0.00 0.00 31.44 31.08 2kk8 n GLU 63 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kk8 n ASP 64 N -1.50 0.01 -4.87 1.62 2.03 -1.26 -1.46 116.55 111.11 2kk8 n ASP 64 Ca 0.06 0.21 -0.31 0.00 0.52 0.00 0.00 54.79 55.27 2kk8 n ASP 64 Cb 0.34 -0.40 -0.05 0.00 -0.72 0.00 0.00 41.12 40.29 2kk8 n ASP 64 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kk8 s LEU 65 N -2.81 4.04 0.67 -2.67 1.43 -1.23 -4.85 118.68 113.26 2kk8 s LEU 65 Ca 0.20 1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 54.32 2kk8 s LEU 65 Cb 0.20 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.60 2kk8 s LEU 65 CO 0.50 -0.21 0.97 0.42 0.23 0.00 0.00 176.35 178.26 2kk8 s THR 66 N -2.03 2.38 0.45 5.49 -4.23 -1.26 -1.26 115.64 115.18 2kk8 s THR 66 Ca 0.50 -0.34 0.11 0.00 -1.18 0.00 0.00 61.69 60.78 2kk8 s THR 66 Cb -0.11 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 71.00 2kk8 s THR 66 CO 0.23 -0.01 2.07 0.58 -0.54 0.00 0.00 174.62 176.95 2kk8 h VAL 67 N -0.46 1.04 -0.33 2.29 2.07 -1.23 -1.45 116.25 118.16 2kk8 h VAL 67 Ca -0.44 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 2kk8 h VAL 67 Cb 1.31 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2kk8 h VAL 67 CO 0.59 0.07 -0.11 -0.08 0.02 0.00 0.00 177.57 178.05 2kk8 h GLU 68 N 0.36 0.67 -0.81 1.57 4.81 -1.51 0.11 114.58 119.77 2kk8 h GLU 68 Ca 0.13 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2kk8 h GLU 68 Cb 0.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2kk8 h GLU 68 CO -0.03 0.85 0.46 1.96 -0.73 0.00 0.00 179.01 181.53 2kk8 h GLN 69 N 0.44 1.12 0.00 1.92 1.08 -1.57 -1.98 115.11 116.13 2kk8 h GLN 69 Ca 0.08 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2kk8 h GLN 69 Cb 0.63 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2kk8 h GLN 69 CO 0.04 0.80 -0.56 0.00 -0.95 0.00 0.00 178.83 178.17 2kk8 n GLN 71 N -2.33 -3.20 -2.53 0.00 6.02 0.35 -4.90 117.38 110.79 2kk8 n GLN 71 Ca 0.03 0.72 -0.41 0.00 -0.01 0.00 0.00 57.00 57.33 2kk8 n GLN 71 Cb 0.47 -5.31 -0.03 0.00 1.02 0.00 0.00 30.24 26.38 2kk8 n GLN 71 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2kk8 s ILE 72 N -3.46 3.71 0.15 5.09 1.01 -0.94 -5.00 121.20 121.76 2kk8 s ILE 72 Ca 0.30 0.37 -0.25 0.00 0.00 0.00 0.00 60.65 61.08 2kk8 s ILE 72 Cb -0.06 -4.89 -0.08 0.00 0.01 0.00 0.00 42.46 37.44 2kk8 s ILE 72 CO 0.78 -1.83 0.75 0.68 0.00 0.00 0.00 174.94 175.32 2kk8 s VAL 73 N 5.83 4.44 -1.64 2.92 -7.23 -1.26 -4.95 120.40 118.51 2kk8 s VAL 73 Ca 0.36 1.64 0.13 0.00 -1.81 0.00 0.00 61.98 62.30 2kk8 s VAL 73 Cb -0.08 -4.11 0.28 0.00 0.56 0.00 0.00 36.38 33.04 2kk8 s VAL 73 CO 0.14 0.52 1.29 -0.81 -0.31 0.00 0.00 175.10 175.93 2kk8 n PRO 74 N 1.69 0.27 -0.32 4.82 -0.04 -1.26 -1.53 135.00 138.63 2kk8 n PRO 74 Ca -0.06 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2kk8 n PRO 74 Cb 0.49 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.18 0.88 -3.51 0.52 5.66 -1.26 -4.87 114.28 110.52 2kk8 n THR 75 Ca 0.08 -0.94 -0.20 0.00 -3.05 0.00 0.00 64.05 59.94 2kk8 n THR 75 Cb 0.08 0.62 -0.01 0.00 -1.55 0.00 0.00 70.33 69.48 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2kk8 s SER 76 N -1.12 6.02 -0.04 1.09 0.15 -0.58 -5.08 113.70 114.14 2kk8 s SER 76 Ca 0.46 -0.10 -0.25 0.00 0.70 0.00 0.00 55.95 56.76 2kk8 s SER 76 Cb 0.24 -1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 2kk8 s SER 76 CO 0.32 -0.39 0.76 -0.62 1.20 0.00 0.00 173.24 174.51 2kk8 s ASP 77 N -4.15 7.08 -0.21 5.45 2.15 -1.26 -4.88 116.67 120.85 2kk8 s ASP 77 Ca 0.43 1.30 0.00 0.00 0.43 0.00 0.00 52.55 54.71 2kk8 s ASP 77 Cb -0.09 -2.45 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2kk8 s ASP 77 CO 0.31 -0.13 -0.05 -0.63 -0.17 0.00 0.00 175.17 174.51 2kk8 s ILE 78 N 0.76 1.32 -0.14 4.11 1.01 -1.26 0.02 121.20 127.03 2kk8 s ILE 78 Ca 0.40 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 2kk8 s ILE 78 Cb -0.19 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2kk8 s ILE 78 CO 0.20 -0.04 -0.05 -1.58 0.00 0.00 0.00 174.94 173.47 2kk8 s GLN 79 N 1.50 3.53 -0.37 2.79 2.00 0.78 -2.82 119.66 127.08 2kk8 s GLN 79 Ca -0.03 -0.54 -0.13 0.00 -2.00 0.00 0.00 55.36 52.65 2kk8 s GLN 79 Cb -0.18 -2.84 0.00 0.00 0.80 0.00 0.00 33.01 30.80 2kk8 s GLN 79 CO -0.07 0.29 0.25 -0.51 -0.50 0.00 0.00 175.29 174.74 2kk8 s LEU 80 N 0.22 4.71 -0.08 3.68 1.43 0.69 -1.21 118.68 128.13 2kk8 s LEU 80 Ca -0.03 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.28 2kk8 s LEU 80 Cb -0.14 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 2kk8 s LEU 80 CO 0.03 -0.33 0.22 -0.70 0.23 0.00 0.00 176.35 175.81 2kk8 s GLU 81 N 1.67 3.59 -0.46 1.70 -6.30 -0.81 -1.26 118.70 116.82 2kk8 s GLU 81 Ca 0.05 0.04 -0.17 0.00 -2.50 0.00 0.00 54.97 52.39 2kk8 s GLU 81 Cb -0.18 -3.20 0.05 0.00 0.00 0.00 0.00 34.13 30.80 2kk8 s GLU 81 CO 0.09 0.75 0.47 0.08 0.02 0.00 0.00 175.26 176.68 2kk8 s VAL 82 N -1.04 5.08 0.80 3.70 1.01 -1.26 -1.19 120.40 127.49 2kk8 s VAL 82 Ca 0.18 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2kk8 s VAL 82 Cb -0.13 -4.14 0.17 0.00 0.00 0.00 0.00 36.38 32.28 2kk8 s VAL 82 CO 0.07 -0.59 1.09 -1.20 0.00 0.00 0.00 175.10 174.47 2kk8 n SER 83 N 5.61 0.65 0.00 3.32 7.64 0.17 -5.02 113.62 125.99 2kk8 n SER 83 Ca -0.09 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.05 2kk8 n SER 83 Cb 0.45 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2kk8 n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49