#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 -1.00 2.50 3.03 0.00 -1.26 -5.05 105.19 103.42 2kk8 n GLY 2 Ca 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 2kk8 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk8 n HIS 3 N -0.11 -3.70 -3.69 1.61 -0.00 -1.26 -5.06 115.22 103.02 2kk8 n HIS 3 Ca 0.00 1.90 -0.27 0.00 -0.00 0.00 0.00 57.72 59.35 2kk8 n HIS 3 Cb 0.00 -3.66 -0.16 0.00 -0.00 0.00 0.00 29.99 26.17 2kk8 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk8 s HIS 4 N -1.02 0.78 -0.61 4.41 5.65 -1.26 -5.10 115.29 118.14 2kk8 s HIS 4 Ca -0.12 -0.75 -0.27 0.00 0.25 0.00 0.00 55.06 54.17 2kk8 s HIS 4 Cb 0.01 -0.96 0.03 0.00 -1.18 0.00 0.00 32.58 30.48 2kk8 s HIS 4 CO 0.69 -0.61 1.15 -1.58 -0.65 0.00 0.00 174.74 173.74 2kk8 s HIS 5 N 1.94 2.58 -0.26 3.88 5.65 -1.26 -4.99 115.29 122.84 2kk8 s HIS 5 Ca 0.01 0.20 -0.13 0.00 0.25 0.00 0.00 55.06 55.39 2kk8 s HIS 5 Cb -0.17 -4.45 -0.04 0.00 -1.18 0.00 0.00 32.58 26.74 2kk8 s HIS 5 CO -0.11 -1.65 0.28 -3.38 -0.65 0.00 0.00 174.74 169.23 2kk8 s HIS 6 N 4.89 3.27 -0.07 3.88 0.00 -1.26 -5.07 115.29 120.94 2kk8 s HIS 6 Ca 0.38 0.32 -0.13 0.00 -3.00 0.00 0.00 55.06 52.63 2kk8 s HIS 6 Cb -0.09 -2.44 -0.05 0.00 -4.00 0.00 0.00 32.58 26.00 2kk8 s HIS 6 CO 0.21 -0.11 0.32 -1.58 -1.00 0.00 0.00 174.74 172.58 2kk8 s HIS 7 N 1.64 3.63 -0.34 0.38 5.65 -1.26 -5.07 115.29 119.93 2kk8 s HIS 7 Ca 0.12 0.79 -0.11 0.00 0.25 0.00 0.00 55.06 56.11 2kk8 s HIS 7 Cb -0.15 -2.22 -0.00 0.00 -1.18 0.00 0.00 32.58 29.02 2kk8 s HIS 7 CO 0.09 0.56 0.19 -3.38 -0.65 0.00 0.00 174.74 171.56 2kk8 s HIS 8 N -0.67 3.21 -0.15 3.88 0.00 -1.26 -4.92 115.29 115.37 2kk8 s HIS 8 Ca 0.20 -0.54 0.22 0.00 -3.00 0.00 0.00 55.06 51.94 2kk8 s HIS 8 Cb -0.15 -2.42 -0.14 0.00 -4.00 0.00 0.00 32.58 25.88 2kk8 s HIS 8 CO 0.09 -0.47 0.82 0.43 -1.00 0.00 0.00 174.74 174.61 2kk8 n SER 9 N 5.03 0.52 -4.63 7.38 7.64 -1.26 -4.86 113.62 123.44 2kk8 n SER 9 Ca -0.13 0.20 -0.43 0.00 1.01 0.00 0.00 58.87 59.52 2kk8 n SER 9 Cb 0.49 1.04 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 2kk8 n SER 9 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2kk8 s HIS 10 N -3.41 1.71 -0.20 1.43 0.00 -1.26 -3.43 115.29 110.13 2kk8 s HIS 10 Ca -0.04 0.33 0.01 0.00 -3.00 0.00 0.00 55.06 52.37 2kk8 s HIS 10 Cb 0.11 -4.03 0.03 0.00 -4.00 0.00 0.00 32.58 24.69 2kk8 s HIS 10 CO 0.84 -3.76 -0.18 -1.64 -1.00 0.00 0.00 174.74 169.00 2kk8 s MET 11 N 5.03 2.85 -0.72 -0.38 1.00 0.38 -4.95 119.30 122.52 2kk8 s MET 11 Ca 0.82 -0.93 -0.15 0.00 0.00 0.00 0.00 55.69 55.43 2kk8 s MET 11 Cb -0.30 -2.64 0.18 0.00 0.00 0.00 0.00 34.83 32.07 2kk8 s MET 11 CO 0.33 -0.28 0.68 0.15 0.00 0.00 0.00 175.02 175.91 2kk8 s LYS 12 N 1.26 3.36 0.07 2.03 1.02 -1.25 -0.95 119.74 125.26 2kk8 s LYS 12 Ca 0.02 -2.11 -0.16 0.00 0.02 0.00 0.00 55.97 53.74 2kk8 s LYS 12 Cb -0.14 -4.39 -0.06 0.00 -0.52 0.00 0.00 37.83 32.71 2kk8 s LYS 12 CO -0.11 -1.34 0.51 -0.59 -0.92 0.00 0.00 175.35 172.90 2kk8 s PHE 13 N 0.90 3.73 -0.63 3.18 -0.71 -1.06 -4.76 117.98 118.64 2kk8 s PHE 13 Ca 0.13 1.12 -0.28 0.00 -1.04 0.00 0.00 56.93 56.87 2kk8 s PHE 13 Cb -0.18 -2.39 0.03 0.00 -1.21 0.00 0.00 43.02 39.27 2kk8 s PHE 13 CO -0.04 0.57 1.28 -1.17 -1.34 0.00 0.00 175.22 174.52 2kk8 s LEU 14 N -1.32 3.34 -0.99 -1.99 2.96 -1.26 -1.64 118.68 117.78 2kk8 s LEU 14 Ca 0.29 -0.04 -0.23 0.00 -0.22 0.00 0.00 54.13 53.93 2kk8 s LEU 14 Cb -0.17 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.58 2kk8 s LEU 14 CO 0.17 -1.67 1.76 -0.69 -1.32 0.00 0.00 176.35 174.60 2kk8 s VAL 15 N 5.55 3.66 -1.16 1.68 1.01 0.12 -4.58 120.40 126.69 2kk8 s VAL 15 Ca 0.43 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 2kk8 s VAL 15 Cb -0.08 -4.50 0.13 0.00 0.00 0.00 0.00 36.38 31.93 2kk8 s VAL 15 CO 0.22 -1.37 1.44 -0.70 0.00 0.00 0.00 175.10 174.69 2kk8 s GLU 16 N 6.08 3.93 -0.45 2.72 2.12 -0.88 -1.76 118.70 130.47 2kk8 s GLU 16 Ca 0.60 -2.18 -0.28 0.00 0.36 0.00 0.00 54.97 53.47 2kk8 s GLU 16 Cb -0.03 -5.16 0.03 0.00 0.26 0.00 0.00 34.13 29.23 2kk8 s GLU 16 CO -0.02 -1.91 1.08 1.21 -0.54 0.00 0.00 175.26 175.08 2kk8 s ASN 17 N 3.46 6.65 0.45 -1.70 2.47 -1.26 -0.77 114.94 124.23 2kk8 s ASN 17 Ca 0.43 0.48 0.15 0.00 0.42 0.00 0.00 52.86 54.35 2kk8 s ASN 17 Cb -0.02 -2.53 1.01 0.00 -1.45 0.00 0.00 41.25 38.27 2kk8 s ASN 17 CO -0.01 -1.15 1.98 0.25 -3.72 0.00 0.00 177.10 174.45 2kk8 h LEU 18 N 10.91 0.00 -2.24 3.21 5.85 -1.70 -1.03 115.31 130.31 2kk8 h LEU 18 Ca -0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 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 1.09 0.20 0.00 0.59 -0.34 0.00 0.00 178.44 179.98 2kk8 n ASN 19 N -4.24 3.27 0.00 1.25 4.13 -1.26 -4.90 115.26 113.51 2kk8 n ASN 19 Ca -0.02 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.25 2kk8 n ASN 19 Cb 0.26 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 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 1.48 4.19 3.07 7.41 0.00 -0.39 -5.05 105.19 115.91 2kk8 n GLY 20 Ca 0.20 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 1.18 1.46 -0.01 1.61 0.01 -1.22 -4.90 113.70 111.83 2kk8 s SER 21 Ca 0.00 -0.23 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 2kk8 s SER 21 Cb 0.00 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 2kk8 s SER 21 CO 0.00 0.14 1.25 -0.44 0.41 0.00 0.00 173.24 174.60 2kk8 s SER 22 N -0.23 7.01 -0.03 2.44 0.01 -1.26 -3.99 113.70 117.65 2kk8 s SER 22 Ca 0.04 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.24 2kk8 s SER 22 Cb -0.05 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.64 2kk8 s SER 22 CO -0.00 -0.58 -0.00 0.12 0.41 0.00 0.00 173.24 173.18 2kk8 s PHE 23 N 1.92 0.31 -0.76 2.43 5.36 -0.72 -4.93 117.98 121.60 2kk8 s PHE 23 Ca 0.58 -0.00 -0.27 0.00 -0.96 0.00 0.00 56.93 56.29 2kk8 s PHE 23 Cb -0.28 -0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.03 2kk8 s PHE 23 CO 0.25 -0.13 1.29 -1.21 -1.46 0.00 0.00 175.22 173.96 2kk8 s GLU 24 N 1.00 3.22 -0.18 10.12 2.02 -1.26 0.11 118.70 133.72 2kk8 s GLU 24 Ca -0.10 -0.31 -0.26 0.00 0.02 0.00 0.00 54.97 54.32 2kk8 s GLU 24 Cb -0.14 -4.27 -0.01 0.00 0.10 0.00 0.00 34.13 29.82 2kk8 s GLU 24 CO -0.02 -2.15 0.86 -1.17 0.02 0.00 0.00 175.26 172.80 2kk8 s LEU 25 N 5.66 4.15 -0.70 1.80 0.20 -0.65 -4.79 118.68 124.35 2kk8 s LEU 25 Ca 0.36 1.19 -0.23 0.00 0.69 0.00 0.00 54.13 56.14 2kk8 s LEU 25 Cb -0.08 -3.27 0.07 0.00 -0.43 0.00 0.00 46.19 42.48 2kk8 s LEU 25 CO 0.13 -0.45 1.02 -0.70 -0.29 0.00 0.00 176.35 176.06 2kk8 s GLU 26 N 2.37 3.17 0.21 1.98 2.12 -1.26 -2.55 118.70 124.73 2kk8 s GLU 26 Ca 0.39 -0.86 0.08 0.00 0.36 0.00 0.00 54.97 54.94 2kk8 s GLU 26 Cb -0.16 -4.31 -0.04 0.00 0.26 0.00 0.00 34.13 29.88 2kk8 s GLU 26 CO 0.11 -1.86 0.01 0.54 -0.54 0.00 0.00 175.26 173.53 2kk8 s VAL 27 N 4.15 3.70 0.14 3.70 0.11 -0.13 -4.88 120.40 127.19 2kk8 s VAL 27 Ca 0.25 -1.56 0.04 0.00 -2.93 0.00 0.00 61.98 57.77 2kk8 s VAL 27 Cb -0.15 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 2kk8 s VAL 27 CO 0.09 -0.20 0.20 -0.62 -3.33 0.00 0.00 175.10 171.23 2kk8 s ASP 28 N -3.22 5.90 0.58 3.54 -1.08 -1.26 -0.47 116.67 120.66 2kk8 s ASP 28 Ca 0.29 0.03 0.28 0.00 -0.52 0.00 0.00 52.55 52.62 2kk8 s ASP 28 Cb -0.08 -1.66 1.62 0.00 -1.46 0.00 0.00 42.92 41.33 2kk8 s ASP 28 CO 0.19 0.08 2.10 1.88 0.52 0.00 0.00 175.17 179.95 2kk8 h TYR 29 N 2.42 0.00 0.00 -5.34 0.05 -1.95 -1.60 116.97 110.54 2kk8 h TYR 29 Ca -0.48 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.23 2kk8 h TYR 29 Cb 1.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 2kk8 h TYR 29 CO 0.56 0.00 -0.34 -0.09 -1.05 0.00 0.00 178.16 177.25 2kk8 h ARG 30 N 0.00 0.00 -6.77 4.88 2.43 -1.94 -2.75 114.38 110.22 2kk8 h ARG 30 Ca 0.09 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.75 2kk8 h ARG 30 Cb 0.47 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2kk8 h ARG 30 CO -0.00 0.34 0.52 -0.51 -1.51 0.00 0.00 179.97 178.81 2kk8 s ASP 31 N -6.35 7.14 0.57 -3.80 1.01 -0.60 -4.82 116.67 109.82 2kk8 s ASP 31 Ca 0.04 2.32 -0.05 0.00 0.71 0.00 0.00 52.55 55.57 2kk8 s ASP 31 Cb 0.08 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2kk8 s ASP 31 CO 0.71 -0.27 0.87 0.42 0.21 0.00 0.00 175.17 177.11 2kk8 s THR 32 N -0.82 3.78 0.42 -1.27 -4.23 -1.26 -2.19 115.64 110.07 2kk8 s THR 32 Ca 0.48 -0.02 0.27 0.00 -1.18 0.00 0.00 61.69 61.24 2kk8 s THR 32 Cb -0.33 -3.49 0.30 0.00 1.34 0.00 0.00 72.50 70.32 2kk8 s THR 32 CO 0.42 -0.49 2.08 -0.07 -0.54 0.00 0.00 174.62 176.02 2kk8 h LEU 33 N -0.09 0.00 -0.29 4.79 3.38 -1.50 -0.44 115.31 121.16 2kk8 h LEU 33 Ca -0.46 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 2kk8 h LEU 33 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2kk8 h LEU 33 CO 0.60 0.11 -0.20 0.25 0.09 0.00 0.00 178.44 179.30 2kk8 h LEU 34 N 0.00 0.67 -0.02 1.67 5.85 -1.77 -3.10 115.31 118.61 2kk8 h LEU 34 Ca -0.00 -0.44 -0.26 0.00 0.84 0.00 0.00 57.88 58.02 2kk8 h LEU 34 Cb 0.32 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 41.18 2kk8 h LEU 34 CO 0.01 0.97 -1.04 0.58 -0.34 0.00 0.00 178.44 178.62 2kk8 h VAL 35 N 0.38 1.30 -0.43 1.05 2.07 -1.67 -3.18 116.25 115.77 2kk8 h VAL 35 Ca 0.06 -2.30 -0.05 0.00 0.82 0.00 0.00 66.70 65.22 2kk8 h VAL 35 Cb 0.74 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2kk8 h VAL 35 CO 0.05 0.71 0.07 1.62 0.02 0.00 0.00 177.57 180.04 2kk8 h VAL 36 N 0.36 1.20 0.00 2.57 3.04 -1.19 -1.91 116.25 120.31 2kk8 h VAL 36 Ca -0.13 -0.76 -0.07 0.00 -1.01 0.00 0.00 66.70 64.73 2kk8 h VAL 36 Cb 1.70 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 2kk8 h VAL 36 CO 0.20 0.27 -0.35 0.11 -1.01 0.00 0.00 177.57 176.79 2kk8 h LYS 37 N 0.63 0.00 0.00 4.17 1.57 -1.60 -1.89 116.57 119.45 2kk8 h LYS 37 Ca 0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2kk8 h LYS 37 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2kk8 h LYS 37 CO 0.00 0.35 -0.38 1.96 -0.57 0.00 0.00 179.45 180.81 2kk8 h GLN 38 N 0.00 0.00 -0.15 3.15 4.20 -1.34 0.14 115.11 121.12 2kk8 h GLN 38 Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 2kk8 h GLN 38 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2kk8 h GLN 38 CO 0.05 0.38 -0.28 0.87 -0.67 0.00 0.00 178.83 179.17 2kk8 h LYS 39 N 0.00 0.45 -0.64 1.46 1.57 -1.03 -3.22 116.57 115.15 2kk8 h LYS 39 Ca -0.00 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 2kk8 h LYS 39 Cb 0.75 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 2kk8 h LYS 39 CO 0.05 0.89 0.27 0.82 -0.57 0.00 0.00 179.45 180.91 2kk8 h ILE 40 N 0.06 1.22 -0.48 1.86 2.04 -0.96 -2.94 117.51 118.31 2kk8 h ILE 40 Ca 0.01 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.28 2kk8 h ILE 40 Cb 0.87 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2kk8 h ILE 40 CO 0.06 0.27 0.13 -0.08 0.00 0.00 0.00 178.15 178.53 2kk8 h GLU 41 N 0.91 0.27 0.00 2.37 4.81 -0.75 0.32 114.58 122.51 2kk8 h GLU 41 Ca 0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2kk8 h GLU 41 Cb 0.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2kk8 h GLU 41 CO -0.02 0.18 0.00 -0.09 -0.73 0.00 0.00 179.01 178.34 2kk8 h ARG 42 N 0.28 0.00 0.06 1.92 2.43 -1.55 0.22 114.38 117.74 2kk8 h ARG 42 Ca 0.24 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.11 2kk8 h ARG 42 Cb 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2kk8 h ARG 42 CO -0.28 0.00 -1.58 0.77 -1.51 0.00 0.00 179.97 177.37 2kk8 h SER 43 N 0.00 0.21 0.47 -3.80 0.02 -0.91 -3.37 113.55 106.17 2kk8 h SER 43 Ca 0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2kk8 h SER 43 Cb 0.60 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2kk8 h SER 43 CO 0.00 1.66 -0.67 0.00 -1.14 0.00 0.00 176.83 176.68 2kk8 n GLN 44 N -4.00 0.09 -2.13 3.45 1.13 0.94 -4.95 117.38 111.91 2kk8 n GLN 44 Ca -0.31 0.01 -0.16 0.00 -1.94 0.00 0.00 57.00 54.59 2kk8 n GLN 44 Cb 0.85 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.64 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 -1.65 -0.61 -5.26 1.08 8.25 0.77 -5.00 115.22 112.80 2kk8 n HIS 45 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.19 2kk8 n HIS 45 Cb 0.36 -3.22 -0.16 0.00 1.12 0.00 0.00 29.99 28.10 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 -2.77 2.10 0.51 1.59 -4.36 -1.12 -5.03 121.20 112.14 2kk8 s ILE 46 Ca 0.00 -1.06 -0.23 0.00 -0.26 0.00 0.00 60.65 59.10 2kk8 s ILE 46 Cb 0.00 -1.75 -0.06 0.00 1.25 0.00 0.00 42.46 41.90 2kk8 s ILE 46 CO 0.00 0.57 1.31 -0.81 0.24 0.00 0.00 174.94 176.25 2kk8 n PRO 47 N 2.75 1.73 -0.34 0.37 -0.04 -1.26 -4.26 135.00 133.95 2kk8 n PRO 47 Ca -0.17 0.63 0.18 0.00 -0.04 0.00 0.00 63.50 64.10 2kk8 n PRO 47 Cb 0.52 -2.50 0.41 0.00 -0.04 0.00 0.00 33.50 31.89 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 1.57 0.57 0.00 0.52 2.07 -1.95 0.95 116.25 119.99 2kk8 h VAL 48 Ca -0.50 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2kk8 h VAL 48 Cb 1.30 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2kk8 h VAL 48 CO 0.57 0.10 0.00 0.28 0.02 0.00 0.00 177.57 178.55 2kk8 h SER 49 N 0.56 0.00 -0.42 0.57 0.02 -1.97 -2.15 113.55 110.16 2kk8 h SER 49 Ca 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 2kk8 h SER 49 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2kk8 h SER 49 CO -0.40 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.58 2kk8 n LYS 50 N -2.61 2.88 -3.05 3.45 5.02 0.32 -4.85 118.16 119.32 2kk8 n LYS 50 Ca 0.00 -2.23 -0.45 0.00 -2.02 0.00 0.00 58.31 53.62 2kk8 n LYS 50 Cb 0.20 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.13 3.44 -0.83 1.97 -0.21 -0.81 -3.23 119.66 118.86 2kk8 s GLN 51 Ca 0.30 -1.74 -0.23 0.00 0.02 0.00 0.00 55.36 53.71 2kk8 s GLN 51 Cb 0.16 -4.61 0.07 0.00 1.00 0.00 0.00 33.01 29.63 2kk8 s GLN 51 CO 0.19 -1.62 1.19 0.99 -2.12 0.00 0.00 175.29 173.91 2kk8 s THR 52 N 2.26 4.19 -0.32 -0.19 2.01 -1.26 -4.98 115.64 117.35 2kk8 s THR 52 Ca 0.24 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 2kk8 s THR 52 Cb -0.11 -4.85 -0.01 0.00 0.01 0.00 0.00 72.50 67.54 2kk8 s THR 52 CO -0.04 -1.67 1.58 -0.76 -0.69 0.00 0.00 174.62 173.03 2kk8 s LEU 53 N 4.32 3.67 -0.33 4.42 1.43 -1.26 -3.21 118.68 127.72 2kk8 s LEU 53 Ca 0.33 1.24 -0.03 0.00 -1.03 0.00 0.00 54.13 54.64 2kk8 s LEU 53 Cb -0.08 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.67 2kk8 s LEU 53 CO 0.02 -1.44 0.07 -0.63 0.23 0.00 0.00 176.35 174.60 2kk8 s ILE 54 N 5.72 3.21 -0.28 -0.59 1.01 -0.60 -0.59 121.20 129.08 2kk8 s ILE 54 Ca 0.70 -1.50 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 2kk8 s ILE 54 Cb -0.20 -2.93 0.04 0.00 0.01 0.00 0.00 42.46 39.39 2kk8 s ILE 54 CO 0.31 -0.26 -0.04 0.68 0.00 0.00 0.00 174.94 175.63 2kk8 s VAL 55 N 1.25 2.79 0.00 2.92 -7.23 0.40 -1.64 120.40 118.89 2kk8 s VAL 55 Ca -0.01 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2kk8 s VAL 55 Cb -0.20 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.19 2kk8 s VAL 55 CO -0.01 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.11 2kk8 n ASP 56 N 4.60 -2.98 0.00 4.85 2.03 -0.76 -0.93 116.55 123.35 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 0.44 -2.37 0.00 0.00 -0.72 0.00 0.00 41.12 38.47 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 -0.86 2.08 3.77 0.27 0.00 -1.26 -5.08 105.19 104.11 2kk8 n GLY 57 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.03 4.92 -0.12 -0.61 1.01 -0.11 -5.04 121.20 119.22 2kk8 s ILE 58 Ca 0.00 1.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.63 2kk8 s ILE 58 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2kk8 s ILE 58 CO 0.00 0.44 0.57 0.54 0.00 0.00 0.00 174.94 176.49 2kk8 s VAL 59 N -0.31 5.12 -0.78 2.92 0.11 -1.26 -0.45 120.40 125.74 2kk8 s VAL 59 Ca 0.30 1.13 -0.18 0.00 -2.93 0.00 0.00 61.98 60.29 2kk8 s VAL 59 Cb -0.18 -3.90 0.14 0.00 -1.53 0.00 0.00 36.38 30.91 2kk8 s VAL 59 CO 0.16 0.26 0.89 -0.63 -3.33 0.00 0.00 175.10 172.46 2kk8 s ILE 60 N 0.95 4.94 -0.78 7.04 -1.09 0.24 -4.91 121.20 127.58 2kk8 s ILE 60 Ca 0.29 -1.51 0.03 0.00 -2.23 0.00 0.00 60.65 57.23 2kk8 s ILE 60 Cb -0.16 -4.61 0.29 0.00 -1.58 0.00 0.00 42.46 36.40 2kk8 s ILE 60 CO 0.12 -1.27 1.08 0.18 -1.23 0.00 0.00 174.94 173.83 2kk8 n LEU 61 N 5.96 4.94 -3.78 2.97 4.77 -1.26 -4.49 117.00 126.11 2kk8 n LEU 61 Ca 0.09 -5.43 -0.14 0.00 -0.03 0.00 0.00 56.01 50.50 2kk8 n LEU 61 Cb 0.46 -0.86 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 2kk8 n LEU 61 CO 0.50 2.02 -0.31 -0.13 -1.33 0.00 0.00 177.39 178.13 2kk8 s ARG 62 N -2.93 0.01 -0.02 3.23 1.81 -1.26 -5.01 118.95 114.78 2kk8 s ARG 62 Ca 0.39 0.22 0.13 0.00 -1.72 0.00 0.00 55.73 54.75 2kk8 s ARG 62 Cb 0.15 -0.19 -0.20 0.00 -0.45 0.00 0.00 34.95 34.26 2kk8 s ARG 62 CO -0.01 -0.14 0.29 0.39 -0.68 0.00 0.00 175.30 175.15 2kk8 n GLU 63 N 4.02 0.44 0.14 3.54 -0.58 -1.26 -4.43 120.64 122.52 2kk8 n GLU 63 Ca -0.25 -0.12 0.12 0.00 -0.42 0.00 0.00 57.16 56.49 2kk8 n GLU 63 Cb 0.52 -1.31 0.15 0.00 -0.57 0.00 0.00 31.44 30.23 2kk8 n GLU 63 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 2kk8 h ASP 64 N 0.00 0.00 -3.04 1.62 2.03 -1.96 -3.27 116.42 111.80 2kk8 h ASP 64 Ca 0.00 -0.04 -0.60 0.00 -0.73 0.00 0.00 57.03 55.66 2kk8 h ASP 64 Cb 0.60 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.05 2kk8 h ASP 64 CO 0.00 0.02 -0.27 -0.76 -1.03 0.00 0.00 179.24 177.19 2kk8 s LEU 65 N -5.38 4.38 0.43 0.15 1.43 -1.26 -4.97 118.68 113.44 2kk8 s LEU 65 Ca 0.05 0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 2kk8 s LEU 65 Cb 0.09 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 2kk8 s LEU 65 CO 0.71 0.22 0.68 0.28 0.23 0.00 0.00 176.35 178.47 2kk8 s THR 66 N -1.31 4.81 0.29 5.49 -1.32 -1.26 -1.61 115.64 120.73 2kk8 s THR 66 Ca 0.30 -0.18 0.33 0.00 -1.21 0.00 0.00 61.69 60.92 2kk8 s THR 66 Cb -0.14 -3.79 0.35 0.00 -1.51 0.00 0.00 72.50 67.41 2kk8 s THR 66 CO 0.16 -0.64 2.06 -0.37 -2.21 0.00 0.00 174.62 173.62 2kk8 h VAL 67 N 0.45 0.23 0.00 5.08 -1.51 -1.58 -0.90 116.25 118.01 2kk8 h VAL 67 Ca -0.48 -0.51 -0.05 0.00 -1.23 0.00 0.00 66.70 64.43 2kk8 h VAL 67 Cb 1.22 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 2kk8 h VAL 67 CO 0.61 0.06 -0.23 -0.08 -1.23 0.00 0.00 177.57 176.70 2kk8 h GLU 68 N 0.00 0.00 0.14 5.19 4.81 -1.74 0.33 114.58 123.31 2kk8 h GLU 68 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2kk8 h GLU 68 Cb 0.40 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.79 2kk8 h GLU 68 CO 0.01 0.23 -1.27 1.96 -0.73 0.00 0.00 179.01 179.21 2kk8 h GLN 69 N 0.00 0.30 0.00 1.92 1.08 -1.48 -3.33 115.11 113.60 2kk8 h GLN 69 Ca -0.00 -0.52 -0.10 0.00 -1.45 0.00 0.00 58.65 56.58 2kk8 h GLN 69 Cb 0.73 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 2kk8 h GLN 69 CO 0.03 1.25 -0.48 0.00 -0.95 0.00 0.00 178.83 178.68 2kk8 n GLN 71 N -3.33 -7.55 -2.31 0.00 6.02 0.12 -4.90 117.38 105.41 2kk8 n GLN 71 Ca 0.01 0.83 -0.41 0.00 -0.01 0.00 0.00 57.00 57.42 2kk8 n GLN 71 Cb 0.66 -5.85 -0.03 0.00 1.02 0.00 0.00 30.24 26.04 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 -3.33 3.66 0.14 5.09 1.01 -1.22 -4.99 121.20 121.56 2kk8 s ILE 72 Ca 0.42 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.62 2kk8 s ILE 72 Cb -0.19 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2kk8 s ILE 72 CO 0.72 -1.17 0.19 0.68 0.00 0.00 0.00 174.94 175.37 2kk8 s VAL 73 N 6.72 4.90 -1.22 2.92 -7.23 -1.26 -5.00 120.40 120.24 2kk8 s VAL 73 Ca 0.55 -0.82 0.11 0.00 -1.81 0.00 0.00 61.98 60.01 2kk8 s VAL 73 Cb -0.11 -3.48 0.15 0.00 0.56 0.00 0.00 36.38 33.49 2kk8 s VAL 73 CO 0.23 -0.05 1.32 -2.65 -0.31 0.00 0.00 175.10 173.64 2kk8 n PRO 74 N -0.25 0.08 -0.08 4.82 -0.02 -1.26 -2.10 135.00 136.19 2kk8 n PRO 74 Ca -0.07 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.72 2kk8 n PRO 74 Cb 0.54 -1.50 0.31 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 -1.39 0.21 -4.19 3.45 -2.24 -1.26 -4.76 114.28 104.10 2kk8 n THR 75 Ca 0.04 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 2kk8 n THR 75 Cb 0.11 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kk8 s SER 76 N -1.37 5.05 -0.62 3.42 0.01 -0.89 -5.06 113.70 114.24 2kk8 s SER 76 Ca 0.26 -0.40 -0.27 0.00 1.31 0.00 0.00 55.95 56.85 2kk8 s SER 76 Cb 0.13 -1.15 0.01 0.00 0.21 0.00 0.00 66.02 65.22 2kk8 s SER 76 CO 0.20 0.01 1.52 -0.62 0.41 0.00 0.00 173.24 174.76 2kk8 s ASP 77 N -3.54 5.88 -0.41 2.44 2.15 -1.26 -4.96 116.67 116.97 2kk8 s ASP 77 Ca 0.31 0.13 -0.07 0.00 0.43 0.00 0.00 52.55 53.35 2kk8 s ASP 77 Cb -0.08 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.09 2kk8 s ASP 77 CO 0.22 -1.94 0.23 -0.63 -0.17 0.00 0.00 175.17 172.88 2kk8 s ILE 78 N 6.88 3.88 0.25 4.11 1.01 -1.26 -1.83 121.20 134.24 2kk8 s ILE 78 Ca 0.53 -1.61 0.12 0.00 0.00 0.00 0.00 60.65 59.68 2kk8 s ILE 78 Cb -0.11 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 2kk8 s ILE 78 CO 0.21 -0.55 -0.21 -1.10 0.00 0.00 0.00 174.94 173.29 2kk8 s GLN 79 N 1.33 1.61 -0.10 2.79 -0.21 -0.65 -2.07 119.66 122.35 2kk8 s GLN 79 Ca 0.04 -1.68 0.03 0.00 0.02 0.00 0.00 55.36 53.76 2kk8 s GLN 79 Cb -0.23 -1.76 -0.01 0.00 1.00 0.00 0.00 33.01 32.01 2kk8 s GLN 79 CO -0.00 0.35 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.81 2kk8 s LEU 80 N -3.23 2.37 -0.32 2.90 1.43 0.05 -1.56 118.68 120.31 2kk8 s LEU 80 Ca 0.27 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2kk8 s LEU 80 Cb -0.06 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 44.74 2kk8 s LEU 80 CO 0.13 0.19 0.04 -0.70 0.23 0.00 0.00 176.35 176.24 2kk8 s GLU 81 N 0.21 2.26 -0.29 1.70 2.12 -1.20 -1.70 118.70 121.80 2kk8 s GLU 81 Ca -0.12 -1.43 -0.28 0.00 0.36 0.00 0.00 54.97 53.50 2kk8 s GLU 81 Cb -0.16 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2kk8 s GLU 81 CO 0.06 -0.74 1.88 0.08 -0.54 0.00 0.00 175.26 176.01 2kk8 s VAL 82 N 1.20 3.38 -0.07 3.70 1.01 -1.26 -4.02 120.40 124.33 2kk8 s VAL 82 Ca -0.01 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 2kk8 s VAL 82 Cb -0.20 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2kk8 s VAL 82 CO -0.02 -0.31 1.49 -0.44 0.00 0.00 0.00 175.10 175.82 2kk8 s SER 83 N 6.44 6.79 0.00 3.32 0.01 -1.20 -5.07 113.70 123.98 2kk8 s SER 83 Ca 0.84 2.06 0.32 0.00 1.31 0.00 0.00 55.95 60.47 2kk8 s SER 83 Cb -0.25 -2.54 1.81 0.00 0.21 0.00 0.00 66.02 65.24 2kk8 s SER 83 CO 0.34 -0.83 2.17 -1.20 0.41 0.00 0.00 173.24 174.13