#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 3.83 0.26 3.17 0.00 -1.26 -4.99 105.19 106.20 2kk8 n GLY 2 Ca 0.00 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.31 2kk8 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kk8 n HIS 3 N -1.28 0.00 -4.37 1.61 -0.00 -1.26 -4.95 115.22 104.97 2kk8 n HIS 3 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 2kk8 n HIS 3 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 2kk8 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk8 s HIS 4 N -2.14 2.17 0.27 1.57 4.02 -1.26 -5.12 115.29 114.80 2kk8 s HIS 4 Ca 0.11 -0.39 -0.29 0.00 1.02 0.00 0.00 55.06 55.51 2kk8 s HIS 4 Cb 0.13 -1.16 -0.09 0.00 -1.02 0.00 0.00 32.58 30.44 2kk8 s HIS 4 CO 0.50 0.33 1.19 -1.58 1.02 0.00 0.00 174.74 176.20 2kk8 s HIS 5 N -1.20 3.38 -0.20 1.40 5.65 -1.26 -4.92 115.29 118.13 2kk8 s HIS 5 Ca 0.13 1.53 -0.37 0.00 0.25 0.00 0.00 55.06 56.60 2kk8 s HIS 5 Cb -0.10 -3.45 -0.14 0.00 -1.18 0.00 0.00 32.58 27.72 2kk8 s HIS 5 CO 0.06 -1.15 1.82 1.58 -0.65 0.00 0.00 174.74 176.40 2kk8 n HIS 6 N 1.44 2.18 -4.07 3.88 -0.00 -1.26 -4.95 115.22 112.44 2kk8 n HIS 6 Ca 0.01 0.28 -0.21 0.00 -0.00 0.00 0.00 57.72 57.80 2kk8 n HIS 6 Cb 0.44 -2.56 -0.17 0.00 -0.00 0.00 0.00 29.99 27.70 2kk8 n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk8 s HIS 7 N 3.88 0.79 -1.35 1.57 0.00 -1.26 -5.04 115.29 113.88 2kk8 s HIS 7 Ca 0.96 -0.24 -0.06 0.00 -3.00 0.00 0.00 55.06 52.73 2kk8 s HIS 7 Cb -0.90 -0.74 0.10 0.00 -4.00 0.00 0.00 32.58 27.05 2kk8 s HIS 7 CO 0.59 -0.24 2.43 0.72 -1.00 0.00 0.00 174.74 177.24 2kk8 n HIS 8 N 4.34 2.59 0.00 0.38 -0.00 -1.26 -4.67 115.22 116.60 2kk8 n HIS 8 Ca -0.20 -2.85 -0.14 0.00 -0.00 0.00 0.00 57.72 54.53 2kk8 n HIS 8 Cb 0.51 -1.90 -0.03 0.00 -0.00 0.00 0.00 29.99 28.56 2kk8 n HIS 8 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2kk8 h SER 9 N 4.67 0.77 -3.76 0.41 0.02 -1.96 -3.41 113.55 110.29 2kk8 h SER 9 Ca 0.71 -0.50 -0.66 0.00 -0.84 0.00 0.00 61.79 60.51 2kk8 h SER 9 Cb 0.31 -0.23 -0.20 0.00 0.14 0.00 0.00 62.40 62.43 2kk8 h SER 9 CO 1.51 1.27 -0.54 -1.38 -1.14 0.00 0.00 176.83 176.55 2kk8 s HIS 10 N -3.72 3.18 0.17 3.45 0.00 -1.26 0.03 115.29 117.15 2kk8 s HIS 10 Ca -0.08 -0.21 -0.03 0.00 -3.00 0.00 0.00 55.06 51.73 2kk8 s HIS 10 Cb 0.09 -2.36 -0.03 0.00 -4.00 0.00 0.00 32.58 26.28 2kk8 s HIS 10 CO 0.88 -0.31 0.16 -1.64 -1.00 0.00 0.00 174.74 172.83 2kk8 s MET 11 N 1.69 1.13 0.19 -0.38 -1.94 -0.28 -4.91 119.30 114.79 2kk8 s MET 11 Ca 0.06 -1.46 -0.20 0.00 -1.71 0.00 0.00 55.69 52.38 2kk8 s MET 11 Cb -0.16 0.29 -0.08 0.00 2.01 0.00 0.00 34.83 36.89 2kk8 s MET 11 CO 0.08 -0.37 0.70 0.15 -0.01 0.00 0.00 175.02 175.57 2kk8 s LYS 12 N -4.08 4.29 -0.03 2.03 1.02 -1.26 -0.53 119.74 121.18 2kk8 s LYS 12 Ca 0.29 0.88 0.07 0.00 0.02 0.00 0.00 55.97 57.23 2kk8 s LYS 12 Cb 0.06 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 2kk8 s LYS 12 CO 0.06 0.47 -0.24 -0.59 -0.92 0.00 0.00 175.35 174.13 2kk8 s PHE 13 N -1.39 2.23 -0.45 3.18 -0.71 0.49 -4.61 117.98 116.72 2kk8 s PHE 13 Ca 0.39 -0.53 -0.20 0.00 -1.04 0.00 0.00 56.93 55.55 2kk8 s PHE 13 Cb -0.18 -1.45 0.03 0.00 -1.21 0.00 0.00 43.02 40.20 2kk8 s PHE 13 CO 0.22 -0.11 0.63 -1.17 -1.34 0.00 0.00 175.22 173.44 2kk8 s LEU 14 N -0.37 4.57 -0.24 -1.99 2.96 -1.26 -1.97 118.68 120.37 2kk8 s LEU 14 Ca 0.04 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 2kk8 s LEU 14 Cb -0.11 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 2kk8 s LEU 14 CO 0.01 -0.78 0.05 0.68 -1.32 0.00 0.00 176.35 174.99 2kk8 s VAL 15 N 2.77 4.19 -0.52 1.68 -7.23 -0.51 -3.73 120.40 117.05 2kk8 s VAL 15 Ca 0.21 -0.22 -0.19 0.00 -1.81 0.00 0.00 61.98 59.98 2kk8 s VAL 15 Cb -0.15 -2.94 0.07 0.00 0.56 0.00 0.00 36.38 33.92 2kk8 s VAL 15 CO 0.18 0.36 0.61 -0.70 -0.31 0.00 0.00 175.10 175.24 2kk8 s GLU 16 N 1.46 3.09 -0.09 4.82 2.12 -0.65 -1.37 118.70 128.08 2kk8 s GLU 16 Ca 0.05 -1.03 -0.30 0.00 0.36 0.00 0.00 54.97 54.06 2kk8 s GLU 16 Cb -0.15 -4.13 -0.04 0.00 0.26 0.00 0.00 34.13 30.07 2kk8 s GLU 16 CO 0.03 -1.25 1.49 1.21 -0.54 0.00 0.00 175.26 176.19 2kk8 s ASN 17 N 2.84 6.78 0.52 -1.70 3.84 -0.57 -0.08 114.94 126.58 2kk8 s ASN 17 Ca 0.13 2.02 0.22 0.00 0.21 0.00 0.00 52.86 55.44 2kk8 s ASN 17 Cb -0.21 -2.54 1.40 0.00 -0.55 0.00 0.00 41.25 39.36 2kk8 s ASN 17 CO 0.10 -0.85 2.12 0.25 -2.79 0.00 0.00 177.10 175.93 2kk8 h LEU 18 N 9.92 0.00 -2.80 3.21 5.85 -1.29 -2.31 115.31 127.89 2kk8 h LEU 18 Ca -0.34 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2kk8 h LEU 18 Cb 1.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2kk8 h LEU 18 CO 0.96 0.08 -0.22 0.59 -0.34 0.00 0.00 178.44 179.51 2kk8 n ASN 19 N -4.06 1.73 0.00 1.25 4.13 -1.26 -5.00 115.26 112.05 2kk8 n ASN 19 Ca -0.03 -2.94 0.00 0.00 1.68 0.00 0.00 54.58 53.29 2kk8 n ASN 19 Cb 0.17 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 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 -1.02 3.61 3.15 7.41 0.00 -0.87 -5.14 105.19 112.33 2kk8 n GLY 20 Ca 0.13 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 1.05 0.82 -0.45 1.61 0.15 -1.25 -4.86 113.70 110.78 2kk8 s SER 21 Ca 0.00 -1.05 -0.18 0.00 0.70 0.00 0.00 55.95 55.42 2kk8 s SER 21 Cb 0.00 0.16 0.04 0.00 -1.71 0.00 0.00 66.02 64.51 2kk8 s SER 21 CO 0.00 -0.56 0.50 -0.55 1.20 0.00 0.00 173.24 173.84 2kk8 s SER 22 N -3.02 6.21 0.05 5.45 0.15 -1.26 -1.51 113.70 119.77 2kk8 s SER 22 Ca 0.13 -0.78 0.08 0.00 0.70 0.00 0.00 55.95 56.08 2kk8 s SER 22 Cb 0.07 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 2kk8 s SER 22 CO -0.05 -0.69 -0.21 0.12 1.20 0.00 0.00 173.24 173.61 2kk8 s PHE 23 N 2.28 2.47 -0.57 3.44 5.36 -0.47 -4.94 117.98 125.54 2kk8 s PHE 23 Ca 0.13 -0.31 -0.10 0.00 -0.96 0.00 0.00 56.93 55.69 2kk8 s PHE 23 Cb -0.18 -1.42 0.15 0.00 -0.34 0.00 0.00 43.02 41.23 2kk8 s PHE 23 CO 0.13 0.23 0.46 -1.83 -1.46 0.00 0.00 175.22 172.75 2kk8 s GLU 24 N -1.48 2.77 -0.02 10.12 4.04 -1.26 -1.42 118.70 131.45 2kk8 s GLU 24 Ca 0.14 -2.02 -0.18 0.00 0.04 0.00 0.00 54.97 52.95 2kk8 s GLU 24 Cb -0.10 -4.04 -0.05 0.00 0.02 0.00 0.00 34.13 29.96 2kk8 s GLU 24 CO 0.05 -1.23 0.49 -1.17 -1.84 0.00 0.00 175.26 171.56 2kk8 s LEU 25 N 0.93 4.41 -0.22 1.83 0.20 -0.83 -4.75 118.68 120.25 2kk8 s LEU 25 Ca 0.10 1.01 -0.18 0.00 0.69 0.00 0.00 54.13 55.75 2kk8 s LEU 25 Cb -0.23 -2.74 -0.03 0.00 -0.43 0.00 0.00 46.19 42.76 2kk8 s LEU 25 CO -0.02 0.18 0.49 -0.70 -0.29 0.00 0.00 176.35 176.00 2kk8 s GLU 26 N -0.40 4.14 0.10 1.98 2.12 -1.26 -0.38 118.70 125.00 2kk8 s GLU 26 Ca 0.27 0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.97 2kk8 s GLU 26 Cb -0.17 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2kk8 s GLU 26 CO 0.14 -0.20 -0.10 0.54 -0.54 0.00 0.00 175.26 175.10 2kk8 s VAL 27 N 1.80 0.93 0.07 3.70 0.11 0.31 -4.91 120.40 122.42 2kk8 s VAL 27 Ca 0.22 -1.63 -0.12 0.00 -2.93 0.00 0.00 61.98 57.51 2kk8 s VAL 27 Cb -0.15 -1.35 -0.06 0.00 -1.53 0.00 0.00 36.38 33.29 2kk8 s VAL 27 CO 0.09 -0.56 0.44 -0.62 -3.33 0.00 0.00 175.10 171.12 2kk8 s ASP 28 N -2.43 6.74 0.57 3.54 2.15 -1.26 -1.13 116.67 124.85 2kk8 s ASP 28 Ca 0.05 0.92 0.26 0.00 0.43 0.00 0.00 52.55 54.21 2kk8 s ASP 28 Cb -0.03 -2.23 1.57 0.00 -0.30 0.00 0.00 42.92 41.94 2kk8 s ASP 28 CO -0.00 0.21 2.12 1.88 -0.17 0.00 0.00 175.17 179.21 2kk8 h TYR 29 N 4.00 0.00 0.00 -5.34 0.05 -0.75 -0.08 116.97 114.86 2kk8 h TYR 29 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 2kk8 h TYR 29 Cb 1.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.94 2kk8 h TYR 29 CO 0.68 0.00 0.00 -2.13 -1.05 0.00 0.00 178.16 175.66 2kk8 n ARG 30 N -4.03 0.02 -1.85 4.88 0.63 -1.26 -1.17 116.66 113.87 2kk8 n ARG 30 Ca 0.01 0.02 -0.30 0.00 -0.92 0.00 0.00 57.85 56.66 2kk8 n ARG 30 Cb 0.28 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 31.75 2kk8 n ARG 30 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kk8 s ASP 31 N -2.98 5.29 0.23 6.15 -1.08 -0.04 -4.84 116.67 119.39 2kk8 s ASP 31 Ca 0.14 1.13 0.11 0.00 -0.52 0.00 0.00 52.55 53.41 2kk8 s ASP 31 Cb 0.18 -1.90 -0.05 0.00 -1.46 0.00 0.00 42.92 39.70 2kk8 s ASP 31 CO 0.51 -1.44 -0.21 0.28 0.52 0.00 0.00 175.17 174.83 2kk8 s THR 32 N -3.35 2.48 0.45 1.71 -1.32 -1.26 -0.99 115.64 113.36 2kk8 s THR 32 Ca 0.59 -2.15 0.12 0.00 -1.21 0.00 0.00 61.69 59.04 2kk8 s THR 32 Cb -0.11 -2.23 0.23 0.00 -1.51 0.00 0.00 72.50 68.87 2kk8 s THR 32 CO 0.52 -0.23 2.05 -0.07 -2.21 0.00 0.00 174.62 174.68 2kk8 h LEU 33 N 2.81 0.17 -2.13 9.08 3.38 -1.48 -0.57 115.31 126.58 2kk8 h LEU 33 Ca -0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2kk8 h LEU 33 Cb 1.23 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2kk8 h LEU 33 CO 0.53 0.20 -0.07 0.25 0.09 0.00 0.00 178.44 179.45 2kk8 h LEU 34 N 0.19 0.00 0.00 1.67 5.85 -1.50 -1.23 115.31 120.30 2kk8 h LEU 34 Ca 0.05 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.54 2kk8 h LEU 34 Cb 0.12 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2kk8 h LEU 34 CO 0.00 0.07 -1.32 0.52 -0.34 0.00 0.00 178.44 177.37 2kk8 n VAL 35 N -3.47 1.52 0.27 1.05 0.31 -0.26 -4.07 118.33 113.68 2kk8 n VAL 35 Ca -0.02 -0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 2kk8 n VAL 35 Cb 0.20 -2.06 0.77 0.00 -0.91 0.00 0.00 33.84 31.83 2kk8 n VAL 35 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2kk8 h VAL 36 N -1.00 0.78 0.00 2.52 3.04 -1.41 0.44 116.25 120.62 2kk8 h VAL 36 Ca -0.35 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.31 2kk8 h VAL 36 Cb 1.25 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2kk8 h VAL 36 CO -0.21 0.00 -0.16 0.11 -1.01 0.00 0.00 177.57 176.30 2kk8 h LYS 37 N 0.00 0.00 0.00 4.17 1.57 -1.39 -1.46 116.57 119.46 2kk8 h LYS 37 Ca 0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2kk8 h LYS 37 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2kk8 h LYS 37 CO -0.00 0.16 -0.33 1.96 -0.57 0.00 0.00 179.45 180.66 2kk8 h GLN 38 N 0.00 0.00 0.00 3.15 4.20 -1.05 -0.41 115.11 121.01 2kk8 h GLN 38 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kk8 h GLN 38 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2kk8 h GLN 38 CO 0.02 0.33 -0.01 0.87 -0.67 0.00 0.00 178.83 179.37 2kk8 h LYS 39 N 0.00 0.01 -0.51 1.46 1.57 -1.33 -3.22 116.57 114.55 2kk8 h LYS 39 Ca -0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2kk8 h LYS 39 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2kk8 h LYS 39 CO 0.04 0.99 0.14 0.82 -0.57 0.00 0.00 179.45 180.87 2kk8 h ILE 40 N -0.97 1.21 -0.91 1.86 2.04 -1.30 0.24 117.51 119.68 2kk8 h ILE 40 Ca -0.00 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.17 2kk8 h ILE 40 Cb 0.99 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 2kk8 h ILE 40 CO 0.00 0.28 0.58 -0.08 0.00 0.00 0.00 178.15 178.93 2kk8 h GLU 41 N 0.74 1.05 0.18 2.37 4.81 -1.11 0.31 114.58 122.94 2kk8 h GLU 41 Ca 0.17 -0.06 -0.34 0.00 -0.13 0.00 0.00 59.36 58.99 2kk8 h GLU 41 Cb 0.25 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.41 2kk8 h GLU 41 CO -0.00 0.70 -1.68 -0.09 -0.73 0.00 0.00 179.01 177.20 2kk8 h ARG 42 N 1.08 0.39 0.15 1.92 2.43 -1.30 -2.20 114.38 116.86 2kk8 h ARG 42 Ca 0.38 -0.67 -0.28 0.00 -0.81 0.00 0.00 59.98 58.60 2kk8 h ARG 42 Cb 0.10 0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2kk8 h ARG 42 CO -0.15 1.32 -1.38 0.77 -1.51 0.00 0.00 179.97 179.02 2kk8 h SER 43 N 0.05 0.51 -0.02 -3.80 0.02 -0.55 -3.34 113.55 106.43 2kk8 h SER 43 Ca -0.33 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 59.72 2kk8 h SER 43 Cb 2.06 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.43 2kk8 h SER 43 CO 0.17 1.62 -0.02 0.00 -1.14 0.00 0.00 176.83 177.47 2kk8 n GLN 44 N -3.87 1.93 -1.33 3.45 1.13 0.11 -4.94 117.38 113.86 2kk8 n GLN 44 Ca -0.22 -1.37 -0.11 0.00 -1.94 0.00 0.00 57.00 53.36 2kk8 n GLN 44 Cb 0.95 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.78 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 0.66 0.00 -4.07 1.08 8.25 -0.85 -4.97 115.22 115.33 2kk8 n HIS 45 Ca 0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.28 2kk8 n HIS 45 Cb 0.46 -2.24 -0.15 0.00 1.12 0.00 0.00 29.99 29.19 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 -2.31 2.95 0.97 1.59 -4.36 -1.10 -4.98 121.20 113.97 2kk8 s ILE 46 Ca 0.00 -0.64 -0.13 0.00 -0.26 0.00 0.00 60.65 59.62 2kk8 s ILE 46 Cb 0.00 -2.31 0.09 0.00 1.25 0.00 0.00 42.46 41.49 2kk8 s ILE 46 CO 0.00 0.47 0.59 -2.65 0.24 0.00 0.00 174.94 173.58 2kk8 n PRO 47 N 4.61 -0.59 -0.20 0.37 -0.02 -1.26 -3.51 135.00 134.40 2kk8 n PRO 47 Ca -0.19 -0.13 -0.06 0.00 -2.02 0.00 0.00 63.50 61.10 2kk8 n PRO 47 Cb 0.51 -1.99 0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.76 1.13 0.00 -1.45 2.07 -1.95 -0.60 116.25 113.69 2kk8 h VAL 48 Ca -0.45 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 2kk8 h VAL 48 Cb 1.29 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2kk8 h VAL 48 CO 0.37 0.14 -0.39 0.77 0.02 0.00 0.00 177.57 178.48 2kk8 h SER 49 N 0.76 0.00 0.39 0.57 4.64 -1.99 -2.66 113.55 115.26 2kk8 h SER 49 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2kk8 h SER 49 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2kk8 h SER 49 CO -0.06 0.39 -0.33 0.29 -0.87 0.00 0.00 176.83 176.26 2kk8 n LYS 50 N -3.83 0.45 -2.46 4.77 5.02 -0.74 -4.65 118.16 116.72 2kk8 n LYS 50 Ca -0.01 -0.25 -0.38 0.00 -2.02 0.00 0.00 58.31 55.65 2kk8 n LYS 50 Cb 0.45 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.72 3.41 -0.75 1.97 -0.21 -0.31 -2.14 119.66 118.92 2kk8 s GLN 51 Ca 0.19 -1.05 -0.26 0.00 0.02 0.00 0.00 55.36 54.26 2kk8 s GLN 51 Cb 0.19 -5.32 0.04 0.00 1.00 0.00 0.00 33.01 28.91 2kk8 s GLN 51 CO 0.59 -2.47 1.26 0.99 -2.12 0.00 0.00 175.29 173.54 2kk8 s THR 52 N 6.00 3.79 -1.00 -0.19 2.01 -1.15 -4.95 115.64 120.14 2kk8 s THR 52 Ca 0.52 0.26 -0.23 0.00 0.31 0.00 0.00 61.69 62.54 2kk8 s THR 52 Cb -0.01 -4.91 0.04 0.00 0.01 0.00 0.00 72.50 67.64 2kk8 s THR 52 CO -0.06 -1.83 1.47 -0.76 -0.69 0.00 0.00 174.62 172.75 2kk8 s LEU 53 N 5.53 3.47 -0.76 4.42 1.43 -1.26 -2.69 118.68 128.81 2kk8 s LEU 53 Ca 0.35 -1.36 -0.20 0.00 -1.03 0.00 0.00 54.13 51.89 2kk8 s LEU 53 Cb -0.08 -2.57 0.11 0.00 0.03 0.00 0.00 46.19 43.68 2kk8 s LEU 53 CO 0.13 -1.60 0.95 -0.63 0.23 0.00 0.00 176.35 175.44 2kk8 s ILE 54 N 5.32 4.70 -0.26 -0.59 1.01 -0.76 -0.20 121.20 130.42 2kk8 s ILE 54 Ca 0.47 -1.16 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 2kk8 s ILE 54 Cb -0.01 -4.66 -0.05 0.00 0.01 0.00 0.00 42.46 37.75 2kk8 s ILE 54 CO -0.08 -1.37 0.16 -0.69 0.00 0.00 0.00 174.94 172.96 2kk8 s VAL 55 N 2.90 5.23 0.00 2.92 1.01 -0.31 -0.91 120.40 131.24 2kk8 s VAL 55 Ca 0.24 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2kk8 s VAL 55 Cb -0.13 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2kk8 s VAL 55 CO -0.00 0.31 0.00 -0.67 0.00 0.00 0.00 175.10 174.73 2kk8 n ASP 56 N 4.66 0.00 -0.17 3.32 -0.08 0.11 -1.16 116.55 123.24 2kk8 n ASP 56 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 2kk8 n ASP 56 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2kk8 n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kk8 n GLY 57 N 0.00 0.96 3.15 0.27 0.00 -1.26 -4.76 105.19 103.54 2kk8 n GLY 57 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.69 -0.28 -0.61 -1.09 -0.31 -5.10 121.20 115.51 2kk8 s ILE 58 Ca 0.00 -0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 57.32 2kk8 s ILE 58 Cb 0.00 -1.47 0.00 0.00 -1.58 0.00 0.00 42.46 39.41 2kk8 s ILE 58 CO 0.00 0.48 1.23 0.54 -1.23 0.00 0.00 174.94 175.95 2kk8 s VAL 59 N 0.41 4.28 -0.34 2.92 0.11 -1.26 -1.17 120.40 125.36 2kk8 s VAL 59 Ca -0.16 1.48 -0.29 0.00 -2.93 0.00 0.00 61.98 60.09 2kk8 s VAL 59 Cb -0.17 -4.20 0.02 0.00 -1.53 0.00 0.00 36.38 30.51 2kk8 s VAL 59 CO 0.06 -0.40 1.06 -0.63 -3.33 0.00 0.00 175.10 171.87 2kk8 s ILE 60 N 3.97 4.50 -0.15 7.04 -1.09 0.72 -4.88 121.20 131.32 2kk8 s ILE 60 Ca 0.53 1.64 0.14 0.00 -2.23 0.00 0.00 60.65 60.73 2kk8 s ILE 60 Cb -0.16 -4.42 -0.24 0.00 -1.58 0.00 0.00 42.46 36.06 2kk8 s ILE 60 CO 0.19 -0.52 0.27 0.18 -1.23 0.00 0.00 174.94 173.82 2kk8 n LEU 61 N 6.92 0.56 -4.56 2.97 4.77 -1.26 -4.47 117.00 121.93 2kk8 n LEU 61 Ca 0.11 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 2kk8 n LEU 61 Cb 0.47 0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 2kk8 n LEU 61 CO 0.60 0.50 1.12 -0.13 -1.33 0.00 0.00 177.39 178.15 2kk8 s ARG 62 N -2.53 3.31 0.07 3.23 1.81 -1.26 -4.82 118.95 118.76 2kk8 s ARG 62 Ca -0.10 -0.08 0.26 0.00 -1.72 0.00 0.00 55.73 54.09 2kk8 s ARG 62 Cb 0.07 -4.12 0.63 0.00 -0.45 0.00 0.00 34.95 31.08 2kk8 s ARG 62 CO 0.81 -1.96 1.53 0.39 -0.68 0.00 0.00 175.30 175.39 2kk8 n GLU 63 N 8.98 0.15 0.15 3.54 1.02 -1.26 -3.51 120.64 129.70 2kk8 n GLU 63 Ca 0.05 0.06 0.01 0.00 -0.02 0.00 0.00 57.16 57.27 2kk8 n GLU 63 Cb 0.49 -1.61 0.20 0.00 -0.02 0.00 0.00 31.44 30.50 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 -4.23 1.62 3.58 -1.96 -1.26 116.42 114.16 2kk8 h ASP 64 Ca 0.00 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.94 2kk8 h ASP 64 Cb 0.62 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.78 2kk8 h ASP 64 CO 0.00 0.54 0.36 -0.76 -2.88 0.00 0.00 179.24 176.50 2kk8 s LEU 65 N -7.20 3.30 0.30 2.28 1.43 -1.23 -4.80 118.68 112.77 2kk8 s LEU 65 Ca -0.00 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.07 2kk8 s LEU 65 Cb 0.11 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 2kk8 s LEU 65 CO 0.73 -1.69 0.45 0.42 0.23 0.00 0.00 176.35 176.49 2kk8 s THR 66 N -2.50 4.90 0.28 5.49 -4.23 -1.26 -2.43 115.64 115.88 2kk8 s THR 66 Ca 0.65 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 2kk8 s THR 66 Cb -0.19 -3.75 0.27 0.00 1.34 0.00 0.00 72.50 70.18 2kk8 s THR 66 CO 0.45 -0.36 1.89 0.58 -0.54 0.00 0.00 174.62 176.65 2kk8 h VAL 67 N 0.95 1.09 -0.49 2.29 2.07 -1.03 -2.22 116.25 118.91 2kk8 h VAL 67 Ca -0.50 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 2kk8 h VAL 67 Cb 1.23 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2kk8 h VAL 67 CO 0.59 0.21 -0.02 -0.08 0.02 0.00 0.00 177.57 178.29 2kk8 h GLU 68 N 1.15 0.87 0.00 1.57 4.81 -1.39 -2.27 114.58 119.32 2kk8 h GLU 68 Ca 0.42 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2kk8 h GLU 68 Cb 0.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2kk8 h GLU 68 CO -0.16 0.92 0.00 1.04 -0.73 0.00 0.00 179.01 180.08 2kk8 n GLN 69 N -4.31 0.03 0.00 1.92 6.02 -0.87 -1.00 117.38 119.17 2kk8 n GLN 69 Ca 0.01 0.14 0.10 0.00 -0.01 0.00 0.00 57.00 57.24 2kk8 n GLN 69 Cb 0.33 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.61 -5.33 -2.28 0.00 1.13 -0.17 -4.89 117.38 105.23 2kk8 n GLN 71 Ca 0.07 0.63 -0.42 0.00 -1.94 0.00 0.00 57.00 55.34 2kk8 n GLN 71 Cb 0.40 -5.34 -0.03 0.00 0.11 0.00 0.00 30.24 25.39 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 -3.52 3.74 0.09 5.09 1.01 -1.05 -5.00 121.20 121.56 2kk8 s ILE 72 Ca 0.25 0.68 -0.09 0.00 0.00 0.00 0.00 60.65 61.49 2kk8 s ILE 72 Cb -0.12 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 2kk8 s ILE 72 CO 0.81 -0.89 0.39 0.68 0.00 0.00 0.00 174.94 175.94 2kk8 s VAL 73 N 6.27 5.11 -1.24 2.92 -7.23 -1.26 -4.96 120.40 120.00 2kk8 s VAL 73 Ca 0.61 0.38 0.17 0.00 -1.81 0.00 0.00 61.98 61.33 2kk8 s VAL 73 Cb -0.14 -3.64 0.24 0.00 0.56 0.00 0.00 36.38 33.40 2kk8 s VAL 73 CO 0.29 0.25 1.54 -0.81 -0.31 0.00 0.00 175.10 176.05 2kk8 n PRO 74 N 0.77 0.14 -0.16 4.82 -0.04 -1.26 -2.11 135.00 137.17 2kk8 n PRO 74 Ca -0.07 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2kk8 n PRO 74 Cb 0.52 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.38 0.41 -2.85 0.52 5.66 -1.26 -4.68 114.28 110.70 2kk8 n THR 75 Ca 0.07 -0.61 -0.23 0.00 -3.05 0.00 0.00 64.05 60.23 2kk8 n THR 75 Cb 0.17 0.75 0.02 0.00 -1.55 0.00 0.00 70.33 69.72 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 -1.49 5.66 -0.38 1.09 0.15 -0.90 -5.06 113.70 112.77 2kk8 s SER 76 Ca 0.36 0.23 -0.15 0.00 0.70 0.00 0.00 55.95 57.09 2kk8 s SER 76 Cb 0.21 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2kk8 s SER 76 CO 0.29 -0.85 0.34 -0.62 1.20 0.00 0.00 173.24 173.60 2kk8 s ASP 77 N -4.28 6.14 -0.19 5.45 2.15 -1.26 -4.84 116.67 119.83 2kk8 s ASP 77 Ca 0.51 -0.54 -0.01 0.00 0.43 0.00 0.00 52.55 52.94 2kk8 s ASP 77 Cb -0.10 -2.18 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 2kk8 s ASP 77 CO 0.39 -0.41 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.22 2kk8 s ILE 78 N 1.91 2.68 0.02 4.11 1.01 -1.24 0.09 121.20 129.77 2kk8 s ILE 78 Ca 0.09 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.07 2kk8 s ILE 78 Cb -0.17 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2kk8 s ILE 78 CO 0.12 0.49 -0.18 -1.10 0.00 0.00 0.00 174.94 174.27 2kk8 s GLN 79 N 1.28 2.14 -0.58 2.79 -0.21 -0.09 -1.64 119.66 123.36 2kk8 s GLN 79 Ca 0.04 -0.93 -0.11 0.00 0.02 0.00 0.00 55.36 54.38 2kk8 s GLN 79 Cb -0.14 -2.21 0.15 0.00 1.00 0.00 0.00 33.01 31.81 2kk8 s GLN 79 CO -0.07 0.55 0.47 -0.51 -2.12 0.00 0.00 175.29 173.62 2kk8 s LEU 80 N -1.28 5.95 -0.44 2.90 1.43 0.89 -1.82 118.68 126.31 2kk8 s LEU 80 Ca 0.14 -2.18 -0.27 0.00 -1.03 0.00 0.00 54.13 50.79 2kk8 s LEU 80 Cb -0.10 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.07 2kk8 s LEU 80 CO 0.04 -0.66 1.00 -0.70 0.23 0.00 0.00 176.35 176.27 2kk8 s GLU 81 N 0.96 3.69 -0.43 1.70 2.12 -1.10 -0.78 118.70 124.87 2kk8 s GLU 81 Ca 0.09 0.44 -0.28 0.00 0.36 0.00 0.00 54.97 55.58 2kk8 s GLU 81 Cb -0.23 -3.88 -0.01 0.00 0.26 0.00 0.00 34.13 30.27 2kk8 s GLU 81 CO -0.02 -1.20 1.76 0.08 -0.54 0.00 0.00 175.26 175.34 2kk8 s VAL 82 N 3.91 3.51 0.41 3.70 1.01 -1.26 -2.95 120.40 128.73 2kk8 s VAL 82 Ca 0.41 0.47 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 2kk8 s VAL 82 Cb -0.10 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 2kk8 s VAL 82 CO 0.26 -0.62 1.07 -0.55 0.00 0.00 0.00 175.10 175.26 2kk8 s SER 83 N 6.37 6.65 0.00 3.32 0.15 -0.91 -5.04 113.70 124.24 2kk8 s SER 83 Ca 0.73 2.09 0.02 0.00 0.70 0.00 0.00 55.95 59.49 2kk8 s SER 83 Cb -0.18 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.56 2kk8 s SER 83 CO 0.29 -0.57 0.55 -1.20 1.20 0.00 0.00 173.24 173.52