#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 0.87 3.49 3.17 0.00 -1.26 -5.02 105.19 106.44 2kk8 n GLY 2 Ca 0.00 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.63 2.79 -1.91 1.61 0.09 -1.26 -4.85 115.29 110.13 2kk8 s HIS 3 Ca 0.00 -0.22 0.10 0.00 -0.00 0.00 0.00 55.06 54.94 2kk8 s HIS 3 Cb 0.00 -4.07 0.30 0.00 -0.00 0.00 0.00 32.58 28.82 2kk8 s HIS 3 CO 0.00 -1.39 1.24 -2.39 -0.00 0.00 0.00 174.74 172.19 2kk8 n HIS 4 N 7.38 0.49 -1.43 1.40 -0.00 -1.26 -3.22 115.22 118.57 2kk8 n HIS 4 Ca -0.01 -0.23 0.07 0.00 -0.00 0.00 0.00 57.72 57.55 2kk8 n HIS 4 Cb 0.47 -0.02 0.11 0.00 -0.00 0.00 0.00 29.99 30.55 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 0.47 0.00 0.15 -1.40 -0.00 -1.26 -4.80 115.22 108.39 2kk8 n HIS 5 Ca 0.11 -0.81 0.03 0.00 -0.00 0.00 0.00 57.72 57.05 2kk8 n HIS 5 Cb 0.31 -0.14 0.09 0.00 -0.00 0.00 0.00 29.99 30.25 2kk8 n HIS 5 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2kk8 h HIS 6 N 0.19 0.00 0.05 1.57 -0.00 -1.96 -3.28 115.15 111.72 2kk8 h HIS 6 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 60.01 2kk8 h HIS 6 Cb 1.14 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.51 2kk8 h HIS 6 CO 0.14 0.46 -2.05 1.58 -0.00 0.00 0.00 177.93 178.07 2kk8 n HIS 7 N -3.26 0.81 -2.31 6.12 -0.00 -1.26 -4.46 115.22 110.85 2kk8 n HIS 7 Ca 0.02 0.22 -0.43 0.00 -0.00 0.00 0.00 57.72 57.53 2kk8 n HIS 7 Cb 0.69 -1.12 0.00 0.00 -0.00 0.00 0.00 29.99 29.56 2kk8 n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk8 n HIS 8 N -3.22 3.49 -2.25 1.57 -0.00 -1.24 -4.90 115.22 108.67 2kk8 n HIS 8 Ca -0.30 -2.92 -0.33 0.00 -0.00 0.00 0.00 57.72 54.17 2kk8 n HIS 8 Cb 1.05 -2.16 -0.04 0.00 -0.00 0.00 0.00 29.99 28.84 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 1.88 5.68 -0.29 0.41 1.04 -1.26 -4.80 113.70 116.36 2kk8 s SER 9 Ca 0.43 -1.59 0.04 0.00 0.48 0.00 0.00 55.95 55.31 2kk8 s SER 9 Cb 0.08 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.81 2kk8 s SER 9 CO -0.01 -2.34 0.54 -2.28 0.98 0.00 0.00 173.24 170.13 2kk8 s HIS 10 N 8.39 -1.61 -0.30 5.02 5.65 -1.26 -4.85 115.29 126.33 2kk8 s HIS 10 Ca 0.62 0.93 0.03 0.00 0.25 0.00 0.00 55.06 56.90 2kk8 s HIS 10 Cb -0.01 0.21 0.08 0.00 -1.18 0.00 0.00 32.58 31.68 2kk8 s HIS 10 CO 0.06 -1.04 -0.03 -1.64 -0.65 0.00 0.00 174.74 171.44 2kk8 s MET 11 N 2.75 1.84 -0.62 2.88 1.00 -0.45 -5.01 119.30 121.69 2kk8 s MET 11 Ca 0.11 -1.62 -0.12 0.00 0.00 0.00 0.00 55.69 54.06 2kk8 s MET 11 Cb -0.11 -3.05 0.16 0.00 0.00 0.00 0.00 34.83 31.83 2kk8 s MET 11 CO -0.27 -0.76 0.53 0.15 0.00 0.00 0.00 175.02 174.68 2kk8 s LYS 12 N 1.00 2.99 -0.05 2.03 1.02 -1.26 0.08 119.74 125.56 2kk8 s LYS 12 Ca 0.01 -2.04 -0.02 0.00 0.02 0.00 0.00 55.97 53.95 2kk8 s LYS 12 Cb -0.19 -4.18 -0.04 0.00 -0.52 0.00 0.00 37.83 32.90 2kk8 s LYS 12 CO -0.07 -1.27 0.06 -0.59 -0.92 0.00 0.00 175.35 172.57 2kk8 s PHE 13 N 0.92 3.28 -0.37 3.18 -0.71 -0.76 -4.82 117.98 118.70 2kk8 s PHE 13 Ca 0.10 0.24 -0.23 0.00 -1.04 0.00 0.00 56.93 56.00 2kk8 s PHE 13 Cb -0.22 -1.78 0.01 0.00 -1.21 0.00 0.00 43.02 39.82 2kk8 s PHE 13 CO -0.02 0.55 0.75 -1.17 -1.34 0.00 0.00 175.22 173.99 2kk8 s LEU 14 N -1.34 4.17 -0.44 -1.99 0.20 -1.26 -0.44 118.68 117.58 2kk8 s LEU 14 Ca 0.18 0.25 -0.14 0.00 0.69 0.00 0.00 54.13 55.12 2kk8 s LEU 14 Cb -0.12 -2.97 0.06 0.00 -0.43 0.00 0.00 46.19 42.74 2kk8 s LEU 14 CO 0.08 -0.73 0.33 0.68 -0.29 0.00 0.00 176.35 176.43 2kk8 s VAL 15 N 3.04 4.94 -0.52 1.68 -7.23 0.89 -4.22 120.40 118.99 2kk8 s VAL 15 Ca 0.30 -1.07 -0.20 0.00 -1.81 0.00 0.00 61.98 59.20 2kk8 s VAL 15 Cb -0.13 -3.92 0.06 0.00 0.56 0.00 0.00 36.38 32.94 2kk8 s VAL 15 CO 0.17 -0.50 0.68 -0.70 -0.31 0.00 0.00 175.10 174.45 2kk8 s GLU 16 N 1.59 3.15 -0.30 4.82 2.12 -0.36 -1.62 118.70 128.09 2kk8 s GLU 16 Ca 0.04 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.25 2kk8 s GLU 16 Cb -0.23 -4.11 0.01 0.00 0.26 0.00 0.00 34.13 30.07 2kk8 s GLU 16 CO 0.06 -1.29 1.13 1.21 -0.54 0.00 0.00 175.26 175.83 2kk8 s ASN 17 N 2.80 6.89 0.54 -1.70 3.84 -0.57 0.28 114.94 127.02 2kk8 s ASN 17 Ca 0.17 1.13 0.31 0.00 0.21 0.00 0.00 52.86 54.69 2kk8 s ASN 17 Cb -0.19 -2.54 1.54 0.00 -0.55 0.00 0.00 41.25 39.51 2kk8 s ASN 17 CO 0.12 -0.90 2.07 0.25 -2.79 0.00 0.00 177.10 175.85 2kk8 h LEU 18 N 10.20 0.00 -2.90 3.21 5.85 -1.86 -1.95 115.31 127.86 2kk8 h LEU 18 Ca -0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2kk8 h LEU 18 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kk8 h LEU 18 CO 1.03 0.08 0.00 0.59 -0.34 0.00 0.00 178.44 179.80 2kk8 n ASN 19 N -3.39 2.28 0.00 1.25 5.03 -1.26 -4.97 115.26 114.20 2kk8 n ASN 19 Ca -0.01 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.47 2kk8 n ASN 19 Cb 0.25 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 2kk8 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kk8 n GLY 20 N -0.15 2.13 3.02 7.41 0.00 -0.74 -5.16 105.19 111.70 2kk8 n GLY 20 Ca 0.04 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2kk8 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kk8 s SER 21 N 1.00 0.45 -0.44 1.61 1.04 -1.20 -4.91 113.70 111.25 2kk8 s SER 21 Ca 0.00 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.66 2kk8 s SER 21 Cb 0.00 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.23 2kk8 s SER 21 CO 0.00 -0.30 0.67 -0.55 0.98 0.00 0.00 173.24 174.04 2kk8 s SER 22 N -1.64 6.34 -0.05 7.02 0.15 -1.26 -1.51 113.70 122.75 2kk8 s SER 22 Ca -0.12 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.26 2kk8 s SER 22 Cb -0.08 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2kk8 s SER 22 CO -0.01 -0.80 -0.16 0.12 1.20 0.00 0.00 173.24 173.58 2kk8 s PHE 23 N 2.90 1.65 -0.94 3.44 5.36 -0.64 -4.95 117.98 124.80 2kk8 s PHE 23 Ca 0.24 -0.50 -0.19 0.00 -0.96 0.00 0.00 56.93 55.51 2kk8 s PHE 23 Cb -0.14 -1.13 0.12 0.00 -0.34 0.00 0.00 43.02 41.53 2kk8 s PHE 23 CO 0.20 -0.19 1.16 -1.21 -1.46 0.00 0.00 175.22 173.71 2kk8 s GLU 24 N 0.16 3.59 0.02 10.12 2.02 -1.26 -0.08 118.70 133.28 2kk8 s GLU 24 Ca -0.06 -1.69 -0.30 0.00 0.02 0.00 0.00 54.97 52.93 2kk8 s GLU 24 Cb -0.12 -4.95 -0.05 0.00 0.10 0.00 0.00 34.13 29.10 2kk8 s GLU 24 CO 0.03 -1.81 1.32 -1.17 0.02 0.00 0.00 175.26 173.64 2kk8 s LEU 25 N 2.91 4.33 -0.52 1.80 0.20 0.42 -4.65 118.68 123.17 2kk8 s LEU 25 Ca 0.34 2.07 -0.19 0.00 0.69 0.00 0.00 54.13 57.03 2kk8 s LEU 25 Cb -0.04 -3.57 0.06 0.00 -0.43 0.00 0.00 46.19 42.21 2kk8 s LEU 25 CO -0.09 -0.63 0.65 -0.70 -0.29 0.00 0.00 176.35 175.29 2kk8 s GLU 26 N 1.87 3.12 0.51 1.98 2.12 -1.26 -1.82 118.70 125.23 2kk8 s GLU 26 Ca 0.61 -0.91 0.03 0.00 0.36 0.00 0.00 54.97 55.07 2kk8 s GLU 26 Cb -0.30 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 29.97 2kk8 s GLU 26 CO 0.27 -1.28 0.17 0.14 -0.54 0.00 0.00 175.26 174.01 2kk8 s VAL 27 N 2.71 1.45 0.43 3.70 -7.23 0.11 -4.95 120.40 116.62 2kk8 s VAL 27 Ca 0.15 -1.79 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 2kk8 s VAL 27 Cb -0.19 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2kk8 s VAL 27 CO 0.12 0.00 0.24 -0.62 -0.31 0.00 0.00 175.10 174.52 2kk8 s ASP 28 N -4.03 4.55 0.39 4.85 -1.08 -1.26 -1.35 116.67 118.75 2kk8 s ASP 28 Ca 0.19 -1.06 0.25 0.00 -0.52 0.00 0.00 52.55 51.41 2kk8 s ASP 28 Cb 0.01 -0.35 0.55 0.00 -1.46 0.00 0.00 42.92 41.67 2kk8 s ASP 28 CO 0.11 -0.64 1.68 1.88 0.52 0.00 0.00 175.17 178.72 2kk8 h TYR 29 N 1.27 0.00 0.00 -5.34 -1.99 -1.96 -3.15 116.97 105.80 2kk8 h TYR 29 Ca -0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.31 2kk8 h TYR 29 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 2kk8 h TYR 29 CO 0.69 0.00 -0.10 0.07 -0.00 0.00 0.00 178.16 178.82 2kk8 h ARG 30 N 0.00 0.00 -6.77 4.88 0.11 -1.99 -3.32 114.38 107.29 2kk8 h ARG 30 Ca 0.00 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.59 2kk8 h ARG 30 Cb 0.88 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.94 2kk8 h ARG 30 CO 0.00 0.00 0.31 -0.51 0.10 0.00 0.00 179.97 179.87 2kk8 s ASP 31 N -4.65 7.43 0.53 0.08 1.11 -1.19 -4.93 116.67 115.04 2kk8 s ASP 31 Ca 0.10 1.82 -0.02 0.00 0.18 0.00 0.00 52.55 54.62 2kk8 s ASP 31 Cb 0.12 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.55 2kk8 s ASP 31 CO 0.62 0.05 0.78 0.42 1.18 0.00 0.00 175.17 178.22 2kk8 s THR 32 N -1.41 3.55 0.37 -1.27 -4.23 -1.26 -1.50 115.64 109.90 2kk8 s THR 32 Ca 0.45 -0.36 0.22 0.00 -1.18 0.00 0.00 61.69 60.81 2kk8 s THR 32 Cb -0.21 -3.36 0.22 0.00 1.34 0.00 0.00 72.50 70.49 2kk8 s THR 32 CO 0.27 -0.29 1.97 -0.07 -0.54 0.00 0.00 174.62 175.95 2kk8 h LEU 33 N 0.11 0.00 -0.81 4.79 3.38 -0.52 -1.43 115.31 120.84 2kk8 h LEU 33 Ca -0.45 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 2kk8 h LEU 33 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2kk8 h LEU 33 CO 0.58 0.20 -0.08 0.25 0.09 0.00 0.00 178.44 179.48 2kk8 h LEU 34 N 0.00 0.79 -0.36 1.67 5.85 -0.97 -2.03 115.31 120.27 2kk8 h LEU 34 Ca -0.00 -0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.34 2kk8 h LEU 34 Cb 0.46 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2kk8 h LEU 34 CO 0.03 0.91 -0.34 0.58 -0.34 0.00 0.00 178.44 179.27 2kk8 h VAL 35 N 0.74 1.28 0.00 1.05 2.07 -1.56 -2.96 116.25 116.87 2kk8 h VAL 35 Ca 0.13 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 2kk8 h VAL 35 Cb 0.56 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2kk8 h VAL 35 CO 0.03 0.50 -0.28 1.62 0.02 0.00 0.00 177.57 179.46 2kk8 h VAL 36 N 0.67 0.78 -0.37 2.57 3.04 -1.29 -1.66 116.25 119.99 2kk8 h VAL 36 Ca 0.06 -1.18 -0.04 0.00 -1.01 0.00 0.00 66.70 64.52 2kk8 h VAL 36 Cb 0.93 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 2kk8 h VAL 36 CO 0.09 0.28 0.04 0.11 -1.01 0.00 0.00 177.57 177.08 2kk8 h LYS 37 N 0.00 0.56 0.00 4.17 1.79 -1.20 -0.47 116.57 121.41 2kk8 h LYS 37 Ca -0.00 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.24 2kk8 h LYS 37 Cb 0.71 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 2kk8 h LYS 37 CO 0.04 0.55 -0.57 1.96 -1.08 0.00 0.00 179.45 180.35 2kk8 h GLN 38 N 0.54 0.00 0.13 3.15 4.20 -1.20 -0.96 115.11 120.97 2kk8 h GLN 38 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2kk8 h GLN 38 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2kk8 h GLN 38 CO 0.00 0.57 -0.06 0.87 -0.67 0.00 0.00 178.83 179.54 2kk8 h LYS 39 N 0.00 -0.17 -0.18 1.46 1.57 -0.85 -3.30 116.57 115.10 2kk8 h LYS 39 Ca -0.01 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2kk8 h LYS 39 Cb 1.05 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2kk8 h LYS 39 CO 0.07 0.26 -0.35 0.82 -0.57 0.00 0.00 179.45 179.69 2kk8 h ILE 40 N -0.67 1.29 -0.72 1.86 2.04 -1.13 -2.74 117.51 117.44 2kk8 h ILE 40 Ca -0.02 -1.42 0.12 0.00 1.00 0.00 0.00 64.86 64.55 2kk8 h ILE 40 Cb 0.51 1.53 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 2kk8 h ILE 40 CO 0.03 0.44 0.29 -0.08 0.00 0.00 0.00 178.15 178.83 2kk8 h GLU 41 N 0.32 0.45 0.00 2.37 4.81 -1.25 0.41 114.58 121.70 2kk8 h GLU 41 Ca 0.04 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 2kk8 h GLU 41 Cb 0.77 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2kk8 h GLU 41 CO 0.06 0.30 -1.02 -0.09 -0.73 0.00 0.00 179.01 177.53 2kk8 h ARG 42 N 0.46 0.00 0.02 1.92 2.43 -1.63 -1.25 114.38 116.33 2kk8 h ARG 42 Ca 0.38 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 2kk8 h ARG 42 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2kk8 h ARG 42 CO -0.36 0.40 -0.01 1.03 -1.51 0.00 0.00 179.97 179.52 2kk8 h SER 43 N 0.00 -0.03 -0.05 -3.80 0.87 -0.90 -3.28 113.55 106.36 2kk8 h SER 43 Ca -0.09 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 2kk8 h SER 43 Cb 1.50 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2kk8 h SER 43 CO 0.06 0.61 0.00 0.00 -0.53 0.00 0.00 176.83 176.96 2kk8 n GLN 44 N -4.80 2.08 -1.76 2.24 1.13 0.13 -4.94 117.38 111.46 2kk8 n GLN 44 Ca -0.09 -1.57 -0.15 0.00 -1.94 0.00 0.00 57.00 53.25 2kk8 n GLN 44 Cb 0.31 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.15 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 0.90 -0.27 -4.11 1.08 8.25 -0.57 -4.98 115.22 115.52 2kk8 n HIS 45 Ca 0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 2kk8 n HIS 45 Cb 0.50 -2.86 -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 -2.64 2.05 0.72 1.59 -4.36 -0.65 -4.98 121.20 112.93 2kk8 s ILE 46 Ca 0.00 -1.03 -0.17 0.00 -0.26 0.00 0.00 60.65 59.20 2kk8 s ILE 46 Cb 0.00 -1.90 -0.07 0.00 1.25 0.00 0.00 42.46 41.74 2kk8 s ILE 46 CO 0.00 0.45 0.27 -2.65 0.24 0.00 0.00 174.94 173.25 2kk8 n PRO 47 N 4.60 0.20 -0.33 0.37 -0.02 -1.26 -4.14 135.00 134.42 2kk8 n PRO 47 Ca -0.20 0.10 0.16 0.00 -2.02 0.00 0.00 63.50 61.54 2kk8 n PRO 47 Cb 0.49 -1.59 0.36 0.00 -0.02 0.00 0.00 33.50 32.73 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 -0.41 0.49 0.00 -1.45 2.07 -1.93 0.91 116.25 115.93 2kk8 h VAL 48 Ca -0.44 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2kk8 h VAL 48 Cb 1.36 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2kk8 h VAL 48 CO 0.40 0.09 -0.05 0.28 0.02 0.00 0.00 177.57 178.31 2kk8 h SER 49 N 0.48 0.00 0.17 0.57 0.02 -1.98 -2.56 113.55 110.24 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 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kk8 h SER 49 CO -0.51 0.05 -0.65 0.29 -1.14 0.00 0.00 176.83 174.87 2kk8 n LYS 50 N -3.19 0.37 -2.76 3.45 5.02 0.29 -4.79 118.16 116.54 2kk8 n LYS 50 Ca -0.00 -0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 55.59 2kk8 n LYS 50 Cb 0.30 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.82 3.16 -0.58 1.97 -0.21 -0.97 -2.42 119.66 117.79 2kk8 s GLN 51 Ca 0.13 -0.69 -0.24 0.00 0.02 0.00 0.00 55.36 54.58 2kk8 s GLN 51 Cb 0.17 -4.27 0.05 0.00 1.00 0.00 0.00 33.01 29.96 2kk8 s GLN 51 CO 0.71 -1.93 0.95 0.99 -2.12 0.00 0.00 175.29 173.90 2kk8 s THR 52 N 4.56 4.35 -0.92 -0.19 2.01 -1.14 -4.98 115.64 119.33 2kk8 s THR 52 Ca 0.27 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 2kk8 s THR 52 Cb -0.13 -4.59 0.04 0.00 0.01 0.00 0.00 72.50 67.83 2kk8 s THR 52 CO 0.10 -1.22 1.46 -0.76 -0.69 0.00 0.00 174.62 173.51 2kk8 s LEU 53 N 4.03 3.38 -0.56 4.42 1.43 -1.26 -2.88 118.68 127.24 2kk8 s LEU 53 Ca 0.28 -1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.14 2kk8 s LEU 53 Cb -0.14 -2.57 0.12 0.00 0.03 0.00 0.00 46.19 43.64 2kk8 s LEU 53 CO 0.17 -1.72 0.56 -0.63 0.23 0.00 0.00 176.35 174.95 2kk8 s ILE 54 N 5.70 5.11 -0.65 -0.59 1.01 -1.19 -0.63 121.20 129.95 2kk8 s ILE 54 Ca 0.46 -1.37 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 2kk8 s ILE 54 Cb -0.03 -4.38 0.14 0.00 0.01 0.00 0.00 42.46 38.20 2kk8 s ILE 54 CO -0.02 -0.94 0.68 -0.69 0.00 0.00 0.00 174.94 173.98 2kk8 s VAL 55 N 1.89 5.10 0.00 2.92 1.01 0.14 -1.86 120.40 129.61 2kk8 s VAL 55 Ca 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.52 2kk8 s VAL 55 Cb -0.28 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2kk8 s VAL 55 CO 0.04 -1.05 0.00 -0.67 0.00 0.00 0.00 175.10 173.42 2kk8 n ASP 56 N 5.51 0.00 -0.05 3.32 2.03 0.16 -1.75 116.55 125.77 2kk8 n ASP 56 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2kk8 n ASP 56 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.00 0.25 3.08 0.27 0.00 -1.26 -4.80 105.19 102.73 2kk8 n GLY 57 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.29 -0.14 -0.61 1.01 -0.72 -5.12 121.20 116.91 2kk8 s ILE 58 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 60.65 59.79 2kk8 s ILE 58 Cb 0.00 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 2kk8 s ILE 58 CO 0.00 0.38 0.80 0.54 0.00 0.00 0.00 174.94 176.66 2kk8 s VAL 59 N 0.29 4.92 -0.41 2.92 0.11 -1.26 -0.68 120.40 126.28 2kk8 s VAL 59 Ca -0.08 1.60 -0.19 0.00 -2.93 0.00 0.00 61.98 60.37 2kk8 s VAL 59 Cb -0.13 -4.12 0.02 0.00 -1.53 0.00 0.00 36.38 30.62 2kk8 s VAL 59 CO 0.03 0.08 0.54 -0.63 -3.33 0.00 0.00 175.10 171.79 2kk8 s ILE 60 N 1.81 4.96 -1.04 7.04 -1.09 0.19 -4.85 121.20 128.22 2kk8 s ILE 60 Ca 0.38 -0.01 0.09 0.00 -2.23 0.00 0.00 60.65 58.88 2kk8 s ILE 60 Cb -0.17 -4.10 0.08 0.00 -1.58 0.00 0.00 42.46 36.70 2kk8 s ILE 60 CO 0.14 -0.46 0.81 0.18 -1.23 0.00 0.00 174.94 174.38 2kk8 n LEU 61 N 5.92 1.80 -4.41 2.97 4.77 -1.26 -4.54 117.00 122.26 2kk8 n LEU 61 Ca -0.04 -1.09 -0.45 0.00 -0.03 0.00 0.00 56.01 54.40 2kk8 n LEU 61 Cb 0.48 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 2kk8 n LEU 61 CO 0.49 0.37 0.92 -0.13 -1.33 0.00 0.00 177.39 177.71 2kk8 s ARG 62 N -0.74 3.84 0.00 3.23 1.81 -1.26 -4.81 118.95 121.02 2kk8 s ARG 62 Ca 0.11 -2.42 0.28 0.00 -1.72 0.00 0.00 55.73 51.98 2kk8 s ARG 62 Cb 0.07 -4.77 1.02 0.00 -0.45 0.00 0.00 34.95 30.82 2kk8 s ARG 62 CO 0.11 -1.56 1.76 0.39 -0.68 0.00 0.00 175.30 175.32 2kk8 n GLU 63 N 4.99 0.15 0.00 3.54 1.02 -1.26 -3.41 120.64 125.67 2kk8 n GLU 63 Ca 0.25 -0.04 0.14 0.00 -0.02 0.00 0.00 57.16 57.49 2kk8 n GLU 63 Cb 0.45 -1.50 0.68 0.00 -0.02 0.00 0.00 31.44 31.05 2kk8 n GLU 63 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kk8 n ASP 64 N -1.39 0.04 -4.84 1.62 5.75 -1.26 -0.40 116.55 116.07 2kk8 n ASP 64 Ca 0.08 0.10 -0.34 0.00 -0.01 0.00 0.00 54.79 54.63 2kk8 n ASP 64 Cb 0.32 -0.35 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 2kk8 n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kk8 s LEU 65 N -2.76 4.19 0.45 -2.12 1.43 -1.22 -4.86 118.68 113.79 2kk8 s LEU 65 Ca 0.22 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 2kk8 s LEU 65 Cb 0.20 -3.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 2kk8 s LEU 65 CO 0.50 -0.08 0.83 0.42 0.23 0.00 0.00 176.35 178.25 2kk8 s THR 66 N -1.77 4.74 0.27 5.49 -4.23 -1.26 -0.30 115.64 118.58 2kk8 s THR 66 Ca 0.48 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 2kk8 s THR 66 Cb -0.13 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.23 2kk8 s THR 66 CO 0.19 -0.63 1.81 0.58 -0.54 0.00 0.00 174.62 176.03 2kk8 h VAL 67 N 0.88 0.85 0.21 2.29 2.07 -1.39 0.08 116.25 121.23 2kk8 h VAL 67 Ca -0.47 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 2kk8 h VAL 67 Cb 1.19 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2kk8 h VAL 67 CO 0.63 0.16 -0.10 -0.08 0.02 0.00 0.00 177.57 178.19 2kk8 h GLU 68 N 0.85 -0.28 0.00 1.57 4.81 -1.84 -2.81 114.58 116.87 2kk8 h GLU 68 Ca 0.48 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 2kk8 h GLU 68 Cb 0.56 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2kk8 h GLU 68 CO -0.30 -0.07 0.00 1.04 -0.73 0.00 0.00 179.01 178.96 2kk8 n GLN 69 N -5.14 0.05 0.22 1.92 6.02 -0.88 -1.33 117.38 118.24 2kk8 n GLN 69 Ca -0.09 0.21 0.14 0.00 -0.01 0.00 0.00 57.00 57.25 2kk8 n GLN 69 Cb 0.19 -1.58 0.38 0.00 1.02 0.00 0.00 30.24 30.24 2kk8 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kk8 n GLN 71 N -2.95 -7.44 -2.00 0.00 1.13 -0.44 -4.89 117.38 100.79 2kk8 n GLN 71 Ca 0.03 0.80 -0.43 0.00 -1.94 0.00 0.00 57.00 55.46 2kk8 n GLN 71 Cb 0.43 -5.74 -0.03 0.00 0.11 0.00 0.00 30.24 25.01 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 3.49 0.16 5.09 1.01 -1.26 -4.98 121.20 121.39 2kk8 s ILE 72 Ca 0.47 0.50 -0.14 0.00 0.00 0.00 0.00 60.65 61.48 2kk8 s ILE 72 Cb -0.21 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 2kk8 s ILE 72 CO 0.70 -0.39 0.56 0.68 0.00 0.00 0.00 174.94 176.49 2kk8 s VAL 73 N 6.69 4.85 -0.68 2.92 -7.23 -1.26 -4.97 120.40 120.72 2kk8 s VAL 73 Ca 0.80 0.80 0.16 0.00 -1.81 0.00 0.00 61.98 61.93 2kk8 s VAL 73 Cb -0.23 -3.72 0.16 0.00 0.56 0.00 0.00 36.38 33.14 2kk8 s VAL 73 CO 0.33 0.20 1.50 -0.81 -0.31 0.00 0.00 175.10 176.01 2kk8 n PRO 74 N 0.68 0.09 -0.39 4.82 -0.04 -1.26 -2.16 135.00 136.74 2kk8 n PRO 74 Ca -0.04 0.43 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2kk8 n PRO 74 Cb 0.52 -1.71 0.25 0.00 -0.04 0.00 0.00 33.50 32.52 2kk8 n PRO 74 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kk8 n THR 75 N -1.88 1.11 -3.59 0.52 -2.24 -1.26 -4.90 114.28 102.04 2kk8 n THR 75 Ca 0.01 -0.81 -0.33 0.00 -2.27 0.00 0.00 64.05 60.66 2kk8 n THR 75 Cb 0.13 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.86 6.58 -0.73 3.42 1.04 -0.92 -5.04 113.70 117.18 2kk8 s SER 76 Ca 0.37 0.73 -0.16 0.00 0.48 0.00 0.00 55.95 57.37 2kk8 s SER 76 Cb 0.22 -2.15 0.16 0.00 0.10 0.00 0.00 66.02 64.35 2kk8 s SER 76 CO 0.20 0.09 0.76 -0.62 0.98 0.00 0.00 173.24 174.66 2kk8 s ASP 77 N -2.09 6.50 -0.70 7.02 2.15 -1.26 -4.83 116.67 123.47 2kk8 s ASP 77 Ca 0.38 -2.13 -0.20 0.00 0.43 0.00 0.00 52.55 51.03 2kk8 s ASP 77 Cb -0.13 -2.26 0.11 0.00 -0.30 0.00 0.00 42.92 40.34 2kk8 s ASP 77 CO 0.21 -0.83 0.88 -0.63 -0.17 0.00 0.00 175.17 174.63 2kk8 s ILE 78 N 1.42 4.68 -0.10 4.11 1.01 -1.26 0.40 121.20 131.47 2kk8 s ILE 78 Ca 0.16 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 2kk8 s ILE 78 Cb -0.16 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 2kk8 s ILE 78 CO -0.03 -1.31 -0.08 -1.58 0.00 0.00 0.00 174.94 171.94 2kk8 s GLN 79 N 2.99 3.12 -0.58 2.79 0.74 -0.77 -1.23 119.66 126.71 2kk8 s GLN 79 Ca 0.20 -0.59 -0.21 0.00 0.05 0.00 0.00 55.36 54.81 2kk8 s GLN 79 Cb -0.17 -2.67 0.07 0.00 1.10 0.00 0.00 33.01 31.34 2kk8 s GLN 79 CO 0.03 0.44 0.82 -0.51 -0.55 0.00 0.00 175.29 175.53 2kk8 s LEU 80 N -0.22 4.68 -0.33 3.68 1.43 0.14 -3.17 118.68 124.89 2kk8 s LEU 80 Ca 0.03 -0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 51.91 2kk8 s LEU 80 Cb -0.13 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.62 2kk8 s LEU 80 CO 0.03 -1.19 1.07 -0.70 0.23 0.00 0.00 176.35 175.80 2kk8 s GLU 81 N 3.38 4.04 -0.48 1.70 2.12 -1.14 -3.04 118.70 125.29 2kk8 s GLU 81 Ca 0.20 1.03 -0.29 0.00 0.36 0.00 0.00 54.97 56.27 2kk8 s GLU 81 Cb -0.18 -3.75 0.02 0.00 0.26 0.00 0.00 34.13 30.48 2kk8 s GLU 81 CO 0.12 -0.93 1.31 0.08 -0.54 0.00 0.00 175.26 175.30 2kk8 s VAL 82 N 3.69 3.98 -0.27 3.70 1.01 -1.26 -2.87 120.40 128.38 2kk8 s VAL 82 Ca 0.45 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 2kk8 s VAL 82 Cb -0.12 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 2kk8 s VAL 82 CO 0.16 -0.98 1.50 -0.55 0.00 0.00 0.00 175.10 175.24 2kk8 s SER 83 N 3.49 6.44 0.00 3.32 0.15 -1.02 -5.05 113.70 121.03 2kk8 s SER 83 Ca 0.54 1.38 0.12 0.00 0.70 0.00 0.00 55.95 58.68 2kk8 s SER 83 Cb -0.10 -2.54 0.71 0.00 -1.71 0.00 0.00 66.02 62.38 2kk8 s SER 83 CO 0.30 -1.25 1.14 -1.20 1.20 0.00 0.00 173.24 173.44