#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k43 s LYS 2 N 0.00 4.54 0.18 2.98 2.20 -1.22 -3.48 119.74 124.94 2k43 s LYS 2 Ca 0.00 1.80 -0.09 0.00 -0.36 0.00 0.00 55.97 57.32 2k43 s LYS 2 Cb 0.00 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2k43 s LYS 2 CO 0.00 -0.01 0.45 1.63 -0.36 0.00 0.00 175.35 177.05 2k43 n LYS 3 N 2.45 0.53 -1.05 4.03 5.02 -1.17 -5.00 118.16 122.97 2k43 n LYS 3 Ca 0.04 -1.07 -0.39 0.00 -2.02 0.00 0.00 58.31 54.87 2k43 n LYS 3 Cb 0.45 1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 36.78 2k43 n LYS 3 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2k43 n PRO 4 N -0.31 0.00 -2.13 1.97 -0.01 -1.26 -4.27 135.00 129.00 2k43 n PRO 4 Ca -0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 63.50 63.17 2k43 n PRO 4 Cb 0.31 -0.91 0.05 0.00 -0.01 0.00 0.00 33.50 32.94 2k43 n PRO 4 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 175.50 173.90 2k43 s LYS 5 N -0.34 2.65 0.12 -0.52 0.00 0.11 -3.84 119.74 117.92 2k43 s LYS 5 Ca 0.56 0.12 0.04 0.00 0.00 0.00 0.00 55.97 56.69 2k43 s LYS 5 Cb -0.80 -2.13 -0.04 0.00 0.00 0.00 0.00 37.83 34.86 2k43 s LYS 5 CO 0.41 -1.02 0.10 -1.17 0.00 0.00 0.00 175.35 173.67 2k43 s LEU 6 N -5.23 3.79 -0.85 2.77 0.20 0.25 -2.12 118.68 117.49 2k43 s LEU 6 Ca 0.57 -0.07 -0.18 0.00 0.69 0.00 0.00 54.13 55.14 2k43 s LEU 6 Cb -0.11 -2.44 0.15 0.00 -0.43 0.00 0.00 46.19 43.36 2k43 s LEU 6 CO 0.48 0.12 0.98 -0.22 -0.29 0.00 0.00 176.35 177.42 2k43 s LEU 7 N -2.74 5.48 -0.12 -0.68 1.98 -1.26 -3.01 118.68 118.33 2k43 s LEU 7 Ca 0.30 -2.08 -0.21 0.00 -2.89 0.00 0.00 54.13 49.24 2k43 s LEU 7 Cb -0.11 -2.34 -0.03 0.00 0.66 0.00 0.00 46.19 44.36 2k43 s LEU 7 CO 0.23 -0.97 0.62 -0.47 -1.89 0.00 0.00 176.35 173.87 2k43 s TYR 8 N 2.13 3.50 0.17 5.38 6.14 -1.02 -3.49 117.35 130.16 2k43 s TYR 8 Ca 0.26 1.06 0.09 0.00 0.64 0.00 0.00 57.07 59.12 2k43 s TYR 8 Cb -0.09 -2.74 -0.04 0.00 0.42 0.00 0.00 41.96 39.51 2k43 s TYR 8 CO -0.07 0.03 -0.19 0.00 0.64 0.00 0.00 175.55 175.97 2k43 s SER 10 N -2.67 5.16 -0.34 0.00 0.01 -1.08 -4.49 113.70 110.28 2k43 s SER 10 Ca 0.16 2.10 -0.29 0.00 1.31 0.00 0.00 55.95 59.23 2k43 s SER 10 Cb -0.06 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2k43 s SER 10 CO 0.07 -1.60 1.42 0.20 0.41 0.00 0.00 173.24 173.74 2k43 s ASN 11 N -2.28 6.44 -0.04 2.44 0.01 -1.26 -4.76 114.94 115.48 2k43 s ASN 11 Ca 0.70 1.09 0.06 0.00 -0.71 0.00 0.00 52.86 54.00 2k43 s ASN 11 Cb -0.23 -2.54 0.09 0.00 0.41 0.00 0.00 41.25 38.99 2k43 s ASN 11 CO 0.38 -1.30 0.97 0.61 -1.51 0.00 0.00 177.10 176.25 2k43 n GLY 12 N 4.77 1.71 3.52 0.66 0.00 -1.26 -5.06 105.19 109.53 2k43 n GLY 12 Ca 0.16 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2k43 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k43 n GLY 13 N -0.53 -0.37 3.31 -0.02 0.00 -1.26 -4.86 105.19 101.46 2k43 n GLY 13 Ca 0.05 1.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.92 2k43 n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k43 s HIS 14 N -2.00 1.50 -0.02 1.61 3.76 -1.26 -4.35 115.29 114.54 2k43 s HIS 14 Ca 0.26 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 2k43 s HIS 14 Cb -0.03 -0.86 0.02 0.00 1.11 0.00 0.00 32.58 32.82 2k43 s HIS 14 CO 0.87 -0.39 0.01 -0.06 -0.85 0.00 0.00 174.74 174.32 2k43 s PHE 15 N -3.79 0.15 -0.30 1.40 0.08 0.46 -4.78 117.98 111.21 2k43 s PHE 15 Ca 0.38 0.04 -0.22 0.00 0.12 0.00 0.00 56.93 57.25 2k43 s PHE 15 Cb 0.07 -0.24 -0.01 0.00 -0.57 0.00 0.00 43.02 42.28 2k43 s PHE 15 CO 0.14 -0.07 0.70 -1.17 -0.10 0.00 0.00 175.22 174.71 2k43 s LEU 16 N 0.69 4.12 0.10 -0.37 2.96 -1.23 -0.59 118.68 124.36 2k43 s LEU 16 Ca -0.06 0.54 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 2k43 s LEU 16 Cb -0.09 -2.93 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 2k43 s LEU 16 CO -0.02 -0.53 -0.11 0.00 -1.32 0.00 0.00 176.35 174.37 2k43 s ARG 17 N 2.75 0.86 0.08 1.98 1.70 0.85 -4.64 118.95 122.53 2k43 s ARG 17 Ca 0.28 -1.12 -0.12 0.00 -0.47 0.00 0.00 55.73 54.30 2k43 s ARG 17 Cb -0.15 -0.64 -0.06 0.00 -0.57 0.00 0.00 34.95 33.54 2k43 s ARG 17 CO 0.12 0.11 0.44 0.96 -1.08 0.00 0.00 175.30 175.85 2k43 s ILE 18 N -2.16 5.01 0.18 4.99 -4.36 -1.24 -1.67 121.20 121.95 2k43 s ILE 18 Ca 0.04 0.66 0.10 0.00 -0.26 0.00 0.00 60.65 61.19 2k43 s ILE 18 Cb -0.05 -3.69 -0.04 0.00 1.25 0.00 0.00 42.46 39.93 2k43 s ILE 18 CO 0.01 0.36 -0.20 -0.76 0.24 0.00 0.00 174.94 174.58 2k43 s LEU 19 N -1.70 2.44 0.00 0.37 1.43 0.10 -4.98 118.68 116.35 2k43 s LEU 19 Ca 0.32 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2k43 s LEU 19 Cb -0.15 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.13 2k43 s LEU 19 CO 0.17 0.02 0.75 -2.65 0.23 0.00 0.00 176.35 174.87 2k43 n PRO 20 N 0.25 0.80 -0.21 1.29 -0.02 -1.26 -3.05 135.00 132.80 2k43 n PRO 20 Ca -0.13 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.46 2k43 n PRO 20 Cb 0.57 -1.04 0.27 0.00 -0.02 0.00 0.00 33.50 33.27 2k43 n PRO 20 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2k43 n ASP 21 N -0.43 2.94 -0.06 2.55 9.92 -1.26 -4.91 116.55 125.31 2k43 n ASP 21 Ca 0.00 -1.94 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 2k43 n ASP 21 Cb 0.02 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 2k43 n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k43 n GLY 22 N 1.40 1.22 2.93 0.44 0.00 -1.17 -5.07 105.19 104.94 2k43 n GLY 22 Ca 0.19 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 2k43 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k43 s THR 23 N -2.12 0.09 -0.29 2.61 2.01 -1.22 -3.59 115.64 113.14 2k43 s THR 23 Ca 0.00 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.59 2k43 s THR 23 Cb 0.00 -0.15 0.08 0.00 0.01 0.00 0.00 72.50 72.44 2k43 s THR 23 CO 0.00 -0.22 0.00 0.54 -0.69 0.00 0.00 174.62 174.25 2k43 s VAL 24 N -0.67 1.85 0.24 3.82 0.11 -1.25 -0.72 120.40 123.78 2k43 s VAL 24 Ca -0.07 -1.78 0.03 0.00 -2.93 0.00 0.00 61.98 57.23 2k43 s VAL 24 Cb -0.05 -2.23 -0.05 0.00 -1.53 0.00 0.00 36.38 32.52 2k43 s VAL 24 CO -0.00 -0.38 0.02 1.51 -3.33 0.00 0.00 175.10 172.92 2k43 s ASP 25 N 1.17 1.69 0.12 3.54 -4.77 -0.67 -4.61 116.67 113.14 2k43 s ASP 25 Ca 0.03 -1.26 -0.24 0.00 -3.30 0.00 0.00 52.55 47.77 2k43 s ASP 25 Cb -0.19 0.04 -0.07 0.00 -1.09 0.00 0.00 42.92 41.61 2k43 s ASP 25 CO -0.10 -0.57 0.74 -0.83 0.70 0.00 0.00 175.17 175.11 2k43 s GLY 26 N -3.31 2.84 -0.02 2.12 0.00 -1.03 -0.11 107.32 107.82 2k43 s GLY 26 Ca 0.31 0.28 -0.07 0.00 0.00 0.00 0.00 44.72 45.23 2k43 s GLY 26 CO 0.10 0.86 0.16 -1.59 0.00 0.00 0.00 173.10 172.63 2k43 s THR 27 N -0.83 0.06 -0.53 0.90 2.01 0.24 -4.66 115.64 112.83 2k43 s THR 27 Ca 0.35 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.64 2k43 s THR 27 Cb -0.22 -0.39 0.04 0.00 0.01 0.00 0.00 72.50 71.94 2k43 s THR 27 CO 0.24 -0.26 0.96 0.00 -0.69 0.00 0.00 174.62 174.88 2k43 s ARG 28 N -0.93 3.40 -0.16 4.92 1.70 -1.26 -0.40 118.95 126.23 2k43 s ARG 28 Ca -0.10 -0.11 -0.05 0.00 -0.47 0.00 0.00 55.73 55.01 2k43 s ARG 28 Cb -0.06 -4.02 0.08 0.00 -0.57 0.00 0.00 34.95 30.38 2k43 s ARG 28 CO 0.01 -1.44 0.28 0.34 -1.08 0.00 0.00 175.30 173.41 2k43 s ASP 29 N 2.71 0.48 -0.05 -2.89 2.15 -1.26 -4.93 116.67 112.87 2k43 s ASP 29 Ca 0.33 0.45 0.07 0.00 0.43 0.00 0.00 52.55 53.83 2k43 s ASP 29 Cb -0.11 0.73 0.11 0.00 -0.30 0.00 0.00 42.92 43.34 2k43 s ASP 29 CO 0.22 -0.26 0.98 0.54 -0.17 0.00 0.00 175.17 176.48 2k43 n ARG 30 N 5.35 1.15 0.08 4.34 3.00 -1.26 -4.75 116.66 124.57 2k43 n ARG 30 Ca -0.06 -1.63 -0.03 0.00 -0.01 0.00 0.00 57.85 56.12 2k43 n ARG 30 Cb 0.50 -0.99 -0.06 0.00 0.00 0.00 0.00 32.46 31.91 2k43 n ARG 30 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2k43 h SER 31 N 0.00 0.00 -4.44 0.55 0.02 -2.01 -3.45 113.55 104.21 2k43 h SER 31 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 2k43 h SER 31 Cb 0.99 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.46 2k43 h SER 31 CO 0.00 0.75 -0.29 -0.67 -1.14 0.00 0.00 176.83 175.48 2k43 n ASP 32 N -3.22 2.81 -3.77 3.07 -0.08 -1.26 -5.07 116.55 109.03 2k43 n ASP 32 Ca -0.02 -2.43 -0.36 0.00 -1.51 0.00 0.00 54.79 50.47 2k43 n ASP 32 Cb 0.86 0.19 -0.03 0.00 2.34 0.00 0.00 41.12 44.48 2k43 n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k43 n GLN 33 N -0.91 3.65 -0.00 -0.67 6.02 -1.26 -4.55 117.38 119.66 2k43 n GLN 33 Ca -0.12 -4.61 0.03 0.00 -0.01 0.00 0.00 57.00 52.29 2k43 n GLN 33 Cb 0.42 -2.41 -0.04 0.00 1.02 0.00 0.00 30.24 29.23 2k43 n GLN 33 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k43 n HIS 34 N 1.15 0.00 0.25 1.08 8.25 -1.26 -4.52 115.22 120.17 2k43 n HIS 34 Ca 0.28 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.78 2k43 n HIS 34 Cb 0.36 -0.10 0.21 0.00 1.12 0.00 0.00 29.99 31.59 2k43 n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2k43 n ILE 35 N -1.54 1.13 -3.59 1.59 -6.64 -1.26 -3.59 119.36 105.45 2k43 n ILE 35 Ca -0.00 -0.68 -0.40 0.00 -1.77 0.00 0.00 62.75 59.89 2k43 n ILE 35 Cb 0.14 -0.11 -0.09 0.00 -1.44 0.00 0.00 39.64 38.13 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k43 s GLN 36 N -1.76 2.49 -0.07 6.28 0.00 -1.26 -4.47 119.66 120.87 2k43 s GLN 36 Ca 0.29 -1.64 0.02 0.00 -0.00 0.00 0.00 55.36 54.03 2k43 s GLN 36 Cb 0.19 -3.84 -0.03 0.00 0.00 0.00 0.00 33.01 29.34 2k43 s GLN 36 CO 0.13 -1.08 -0.10 -0.48 0.00 0.00 0.00 175.29 173.76 2k43 s LEU 37 N 1.37 2.97 -0.51 2.60 2.34 -0.90 -2.93 118.68 123.62 2k43 s LEU 37 Ca 0.05 -0.11 -0.20 0.00 0.06 0.00 0.00 54.13 53.92 2k43 s LEU 37 Cb -0.25 -1.64 0.05 0.00 -0.56 0.00 0.00 46.19 43.80 2k43 s LEU 37 CO 0.00 0.33 0.68 -1.58 -1.06 0.00 0.00 176.35 174.73 2k43 s GLN 38 N -0.65 3.16 -0.36 1.48 0.74 0.13 0.05 119.66 124.21 2k43 s GLN 38 Ca 0.10 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.74 2k43 s GLN 38 Cb -0.11 -4.09 0.10 0.00 1.10 0.00 0.00 33.01 30.01 2k43 s GLN 38 CO 0.01 -1.26 0.11 -1.17 -0.55 0.00 0.00 175.29 172.43 2k43 s LEU 39 N 2.87 4.82 0.42 3.68 1.98 -1.26 -1.78 118.68 129.41 2k43 s LEU 39 Ca 0.18 -1.95 0.07 0.00 -2.89 0.00 0.00 54.13 49.54 2k43 s LEU 39 Cb -0.18 -1.73 -0.03 0.00 0.66 0.00 0.00 46.19 44.91 2k43 s LEU 39 CO 0.13 -0.43 0.28 -0.44 -1.89 0.00 0.00 176.35 174.00 2k43 s SER 40 N 1.38 4.72 -0.46 3.68 0.01 -1.12 -4.88 113.70 117.02 2k43 s SER 40 Ca 0.07 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.35 2k43 s SER 40 Cb -0.21 -0.49 0.12 0.00 0.21 0.00 0.00 66.02 65.66 2k43 s SER 40 CO -0.05 -0.62 0.28 0.00 0.41 0.00 0.00 173.24 173.27 2k43 s ALA 41 N -2.55 3.29 -0.15 1.44 0.00 -1.26 -0.15 121.76 122.39 2k43 s ALA 41 Ca 0.44 -2.65 -0.13 0.00 0.00 0.00 0.00 51.96 49.62 2k43 s ALA 41 Cb 0.00 -2.58 -0.24 0.00 0.00 0.00 0.00 23.12 20.31 2k43 s ALA 41 CO 0.25 -1.88 0.32 1.49 0.00 0.00 0.00 175.76 175.94 2k43 h GLU 42 N 8.02 0.16 -6.06 0.00 4.81 -1.78 -3.47 114.58 116.26 2k43 h GLU 42 Ca -0.13 -0.28 -0.52 0.00 -0.13 0.00 0.00 59.36 58.30 2k43 h GLU 42 Cb 1.04 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 2k43 h GLU 42 CO 0.75 1.13 -0.42 -1.12 -0.73 0.00 0.00 179.01 178.62 2k43 s SER 43 N -6.98 4.79 -0.09 1.04 0.01 -1.24 -5.03 113.70 106.20 2k43 s SER 43 Ca -0.25 -0.89 -0.29 0.00 1.31 0.00 0.00 55.95 55.83 2k43 s SER 43 Cb 0.06 -0.50 -0.06 0.00 0.21 0.00 0.00 66.02 65.72 2k43 s SER 43 CO 0.70 -0.62 1.97 -0.69 0.41 0.00 0.00 173.24 175.01 2k43 s VAL 44 N -2.53 3.16 0.00 3.43 1.01 -1.26 -2.06 120.40 122.14 2k43 s VAL 44 Ca 0.45 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2k43 s VAL 44 Cb -0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2k43 s VAL 44 CO 0.26 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2k43 n GLY 45 N 4.91 2.91 3.83 4.51 0.00 -1.26 -4.99 105.19 115.10 2k43 n GLY 45 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 2k43 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k43 s GLU 46 N -0.32 3.72 -0.05 1.61 2.02 -0.88 -1.67 118.70 123.14 2k43 s GLU 46 Ca 0.00 -0.05 0.01 0.00 0.02 0.00 0.00 54.97 54.94 2k43 s GLU 46 Cb 0.00 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2k43 s GLU 46 CO 0.00 0.63 -0.03 0.14 0.02 0.00 0.00 175.26 176.02 2k43 s VAL 47 N -0.64 4.00 -0.18 2.63 -7.23 -0.61 -2.13 120.40 116.23 2k43 s VAL 47 Ca 0.15 -0.48 -0.00 0.00 -1.81 0.00 0.00 61.98 59.83 2k43 s VAL 47 Cb -0.13 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.12 2k43 s VAL 47 CO 0.04 0.51 -0.15 -0.47 -0.31 0.00 0.00 175.10 174.72 2k43 s TYR 48 N -0.93 2.81 -0.52 2.82 6.14 0.79 -3.15 117.35 125.31 2k43 s TYR 48 Ca 0.15 -1.31 -0.17 0.00 0.64 0.00 0.00 57.07 56.38 2k43 s TYR 48 Cb -0.11 -1.95 0.09 0.00 0.42 0.00 0.00 41.96 40.41 2k43 s TYR 48 CO 0.05 -0.65 0.52 0.42 0.64 0.00 0.00 175.55 176.53 2k43 s ILE 49 N 1.19 5.10 0.15 3.14 1.01 -1.26 -2.81 121.20 127.71 2k43 s ILE 49 Ca 0.02 -1.09 0.11 0.00 0.00 0.00 0.00 60.65 59.68 2k43 s ILE 49 Cb -0.14 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 2k43 s ILE 49 CO -0.07 -0.80 -0.26 -1.59 0.00 0.00 0.00 174.94 172.22 2k43 s LYS 50 N 1.97 1.43 0.18 2.79 -2.85 -0.74 -4.72 119.74 117.81 2k43 s LYS 50 Ca 0.07 -1.41 -0.27 0.00 -1.00 0.00 0.00 55.97 53.36 2k43 s LYS 50 Cb -0.25 -1.86 -0.08 0.00 -2.06 0.00 0.00 37.83 33.58 2k43 s LYS 50 CO 0.06 0.43 0.85 -1.12 0.10 0.00 0.00 175.35 175.67 2k43 s SER 51 N -2.28 7.48 0.00 0.03 0.01 -1.20 0.17 113.70 117.91 2k43 s SER 51 Ca 0.16 1.75 0.00 0.00 1.31 0.00 0.00 55.95 59.17 2k43 s SER 51 Cb -0.09 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2k43 s SER 51 CO 0.07 0.15 0.00 0.41 0.41 0.00 0.00 173.24 174.29 2k43 n THR 52 N 1.76 0.00 -0.09 1.44 -1.04 -1.22 -4.71 114.28 110.42 2k43 n THR 52 Ca -0.03 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.75 2k43 n THR 52 Cb 0.48 -0.08 -0.12 0.00 -1.82 0.00 0.00 70.33 68.80 2k43 n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k43 n GLU 53 N 0.00 0.60 -0.34 -2.82 2.13 -1.26 -4.58 120.64 114.37 2k43 n GLU 53 Ca 0.00 0.49 0.08 0.00 0.66 0.00 0.00 57.16 58.39 2k43 n GLU 53 Cb 0.00 -1.71 0.20 0.00 0.27 0.00 0.00 31.44 30.21 2k43 n GLU 53 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2k43 n THR 54 N -4.25 2.15 0.11 6.31 -2.24 -1.26 -4.92 114.28 110.17 2k43 n THR 54 Ca -0.35 -2.19 0.08 0.00 -2.27 0.00 0.00 64.05 59.32 2k43 n THR 54 Cb 0.77 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 2k43 n THR 54 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2k43 h GLY 55 N 0.96 0.00 0.00 3.38 0.00 -1.77 -3.38 103.07 102.25 2k43 h GLY 55 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2k43 h GLY 55 CO 0.14 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.50 2k43 n GLN 56 N -2.84 0.00 -2.98 4.80 -0.06 -1.26 -4.05 117.38 110.98 2k43 n GLN 56 Ca -0.02 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.63 2k43 n GLN 56 Cb 0.63 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.80 2k43 n GLN 56 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2k43 n TYR 57 N -0.37 3.11 -2.81 3.69 4.02 -1.26 -3.21 117.16 120.33 2k43 n TYR 57 Ca 0.00 -3.25 -0.37 0.00 -0.01 0.00 0.00 57.90 54.27 2k43 n TYR 57 Cb 0.00 -0.91 -0.06 0.00 -0.02 0.00 0.00 39.34 38.35 2k43 n TYR 57 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2k43 s LEU 58 N -3.31 4.35 -0.05 7.72 0.20 -1.25 -1.81 118.68 124.54 2k43 s LEU 58 Ca 0.39 1.80 -0.02 0.00 0.69 0.00 0.00 54.13 57.00 2k43 s LEU 58 Cb 0.16 -3.97 0.03 0.00 -0.43 0.00 0.00 46.19 41.98 2k43 s LEU 58 CO -0.04 -0.05 0.04 0.00 -0.29 0.00 0.00 176.35 176.01 2k43 s ALA 59 N -1.60 0.38 -0.19 5.97 0.00 -0.60 -3.45 121.76 122.26 2k43 s ALA 59 Ca 0.49 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 2k43 s ALA 59 Cb -0.19 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 2k43 s ALA 59 CO 0.24 -0.45 0.76 1.41 0.00 0.00 0.00 175.76 177.71 2k43 s MET 60 N 2.03 4.25 -0.07 0.00 1.75 -1.21 -1.92 119.30 124.13 2k43 s MET 60 Ca 0.04 0.86 0.04 0.00 -1.25 0.00 0.00 55.69 55.38 2k43 s MET 60 Cb -0.12 -3.59 0.00 0.00 2.84 0.00 0.00 34.83 33.96 2k43 s MET 60 CO -0.04 -0.33 -0.18 0.34 -0.65 0.00 0.00 175.02 174.17 2k43 s ASP 61 N 1.21 2.37 0.00 1.11 2.15 -0.97 -4.56 116.67 117.98 2k43 s ASP 61 Ca 0.34 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.91 2k43 s ASP 61 Cb -0.16 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.49 2k43 s ASP 61 CO 0.11 0.12 0.00 0.41 -0.17 0.00 0.00 175.17 175.63 2k43 n THR 62 N 3.51 0.00 -0.43 1.71 -1.04 -1.26 -2.58 114.28 114.19 2k43 n THR 62 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2k43 n THR 62 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2k43 n THR 62 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2k43 n ASP 63 N 0.01 -1.09 -0.02 8.00 2.03 -1.26 -4.88 116.55 119.34 2k43 n ASP 63 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 2k43 n ASP 63 Cb 0.00 -0.18 -0.02 0.00 -0.72 0.00 0.00 41.12 40.20 2k43 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k43 n GLY 64 N -2.36 -0.14 3.48 0.27 0.00 -1.06 -4.73 105.19 100.63 2k43 n GLY 64 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2k43 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k43 s LEU 65 N -6.68 4.11 -0.27 0.99 1.02 -1.10 0.63 118.68 117.38 2k43 s LEU 65 Ca -0.10 -0.41 -0.02 0.00 0.02 0.00 0.00 54.13 53.62 2k43 s LEU 65 Cb 0.03 -2.03 0.04 0.00 0.02 0.00 0.00 46.19 44.25 2k43 s LEU 65 CO 0.13 -0.17 -0.03 -1.48 0.02 0.00 0.00 176.35 174.82 2k43 s LEU 66 N 1.65 3.52 0.10 1.79 2.34 -1.16 -2.28 118.68 124.63 2k43 s LEU 66 Ca 0.05 -1.06 0.06 0.00 0.06 0.00 0.00 54.13 53.25 2k43 s LEU 66 Cb -0.17 -1.69 -0.03 0.00 -0.56 0.00 0.00 46.19 43.74 2k43 s LEU 66 CO 0.07 -0.19 -0.17 -0.72 -1.06 0.00 0.00 176.35 174.29 2k43 s TYR 67 N 1.29 1.47 -0.28 3.48 1.13 -0.81 -4.05 117.35 119.59 2k43 s TYR 67 Ca -0.02 -0.46 -0.18 0.00 -1.41 0.00 0.00 57.07 54.99 2k43 s TYR 67 Cb -0.18 -0.80 0.09 0.00 -1.10 0.00 0.00 41.96 39.97 2k43 s TYR 67 CO -0.03 0.14 0.76 0.20 -2.51 0.00 0.00 175.55 174.11 2k43 s GLY 68 N -1.97 -0.49 0.00 5.49 0.00 -1.24 -1.56 107.32 107.55 2k43 s GLY 68 Ca 0.04 2.47 0.00 0.00 0.00 0.00 0.00 44.72 47.23 2k43 s GLY 68 CO 0.03 2.27 0.00 1.44 0.00 0.00 0.00 173.10 176.84 2k43 n SER 69 N 3.76 0.00 -0.00 1.64 7.64 -0.75 -3.45 113.62 122.46 2k43 n SER 69 Ca -0.18 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.50 2k43 n SER 69 Cb 0.58 0.19 -0.14 0.00 -1.01 0.00 0.00 64.21 63.83 2k43 n SER 69 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2k43 h GLN 70 N 0.00 0.19 -4.80 1.43 1.08 -1.94 -3.40 115.11 107.67 2k43 h GLN 70 Ca 0.00 -0.33 -0.34 0.00 -1.45 0.00 0.00 58.65 56.53 2k43 h GLN 70 Cb 0.00 0.12 -0.23 0.00 -0.05 0.00 0.00 27.48 27.32 2k43 h GLN 70 CO 0.00 1.16 -0.76 0.99 -0.95 0.00 0.00 178.83 179.27 2k43 s THR 71 N -2.41 0.72 -0.40 -0.54 2.01 -1.26 -4.98 115.64 108.80 2k43 s THR 71 Ca -0.19 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 60.78 2k43 s THR 71 Cb 0.02 -0.72 0.09 0.00 0.01 0.00 0.00 72.50 71.90 2k43 s THR 71 CO 0.75 -0.21 0.20 -2.16 -0.69 0.00 0.00 174.62 172.52 2k43 s PRO 72 N -1.31 2.31 0.70 4.92 0.04 -1.26 -3.81 135.00 136.59 2k43 s PRO 72 Ca -0.05 -1.61 0.01 0.00 0.04 0.00 0.00 61.00 59.40 2k43 s PRO 72 Cb -0.08 -3.61 0.13 0.00 0.04 0.00 0.00 34.50 30.97 2k43 s PRO 72 CO 0.01 -0.97 0.97 1.21 0.04 0.00 0.00 177.00 178.25 2k43 s ASN 73 N 1.90 4.44 -0.65 6.66 3.84 -1.22 -4.94 114.94 124.97 2k43 s ASN 73 Ca 0.04 -0.50 -0.16 0.00 0.21 0.00 0.00 52.86 52.45 2k43 s ASN 73 Cb -0.23 0.13 0.16 0.00 -0.55 0.00 0.00 41.25 40.76 2k43 s ASN 73 CO -0.01 -1.81 0.61 -1.61 -2.79 0.00 0.00 177.10 171.49 2k43 s GLU 74 N -5.07 3.21 0.00 0.43 8.01 -1.26 -2.45 118.70 121.57 2k43 s GLU 74 Ca 0.66 -1.94 0.00 0.00 0.01 0.00 0.00 54.97 53.70 2k43 s GLU 74 Cb -0.05 -4.35 0.00 0.00 -4.31 0.00 0.00 34.13 25.42 2k43 s GLU 74 CO 0.44 -1.34 0.00 0.39 0.01 0.00 0.00 175.26 174.76 2k43 n GLU 75 N 4.91 3.42 0.04 1.61 1.02 -1.26 -4.83 120.64 125.56 2k43 n GLU 75 Ca -0.04 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.18 2k43 n GLU 75 Cb 0.43 -0.44 0.32 0.00 -0.02 0.00 0.00 31.44 31.72 2k43 n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k43 s LEU 77 N -3.46 4.26 0.21 0.00 1.43 -1.26 -4.36 118.68 115.49 2k43 s LEU 77 Ca 0.04 1.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 2k43 s LEU 77 Cb 0.07 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 2k43 s LEU 77 CO 0.24 -0.40 -0.11 -0.36 0.23 0.00 0.00 176.35 175.95 2k43 s PHE 78 N 1.83 1.65 -0.03 0.29 0.08 -1.19 -3.75 117.98 116.87 2k43 s PHE 78 Ca 0.47 -0.65 -0.19 0.00 0.12 0.00 0.00 56.93 56.68 2k43 s PHE 78 Cb -0.18 -0.82 -0.05 0.00 -0.57 0.00 0.00 43.02 41.39 2k43 s PHE 78 CO 0.18 0.27 0.52 -1.17 -0.10 0.00 0.00 175.22 174.92 2k43 s LEU 79 N -3.31 4.39 -0.22 -0.37 0.20 0.14 -1.58 118.68 117.93 2k43 s LEU 79 Ca 0.23 1.02 -0.12 0.00 0.69 0.00 0.00 54.13 55.95 2k43 s LEU 79 Cb 0.01 -2.79 -0.05 0.00 -0.43 0.00 0.00 46.19 42.94 2k43 s LEU 79 CO 0.07 0.12 0.24 -0.70 -0.29 0.00 0.00 176.35 175.79 2k43 s GLU 80 N -0.17 4.13 -0.18 1.98 2.12 -0.67 0.52 118.70 126.43 2k43 s GLU 80 Ca 0.28 -0.10 -0.08 0.00 0.36 0.00 0.00 54.97 55.43 2k43 s GLU 80 Cb -0.17 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.66 2k43 s GLU 80 CO 0.14 0.07 0.09 0.50 -0.54 0.00 0.00 175.26 175.52 2k43 s ARG 81 N 1.02 3.94 -0.40 4.30 3.52 -0.50 -4.96 118.95 125.86 2k43 s ARG 81 Ca 0.12 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.28 2k43 s ARG 81 Cb -0.14 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 2k43 s ARG 81 CO 0.05 0.35 0.32 -0.51 -0.81 0.00 0.00 175.30 174.70 2k43 s LEU 82 N 0.16 4.97 0.51 -0.88 1.43 -1.26 -0.13 118.68 123.47 2k43 s LEU 82 Ca 0.06 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.32 2k43 s LEU 82 Cb -0.12 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2k43 s LEU 82 CO -0.00 -0.44 0.83 -0.70 0.23 0.00 0.00 176.35 176.27 2k43 s GLU 83 N 1.77 3.52 0.57 1.70 2.56 -0.05 -5.00 118.70 123.77 2k43 s GLU 83 Ca 0.06 0.27 -0.02 0.00 0.00 0.00 0.00 54.97 55.29 2k43 s GLU 83 Cb -0.18 -2.33 0.03 0.00 2.00 0.00 0.00 34.13 33.65 2k43 s GLU 83 CO 0.11 -0.29 0.83 -2.00 -0.56 0.00 0.00 175.26 173.35 2k43 s GLU 84 N -4.82 2.62 -0.41 4.30 2.56 -1.26 -3.02 118.70 118.66 2k43 s GLU 84 Ca 0.49 -0.49 0.00 0.00 0.00 0.00 0.00 54.97 54.97 2k43 s GLU 84 Cb -0.10 -2.40 0.00 0.00 2.00 0.00 0.00 34.13 33.63 2k43 s GLU 84 CO 0.46 -0.75 0.00 0.09 -0.56 0.00 0.00 175.26 174.51 2k43 n ASN 85 N -2.46 -4.83 -2.21 -1.70 3.02 -1.26 -3.56 115.26 102.25 2k43 n ASN 85 Ca 0.06 0.09 -0.08 0.00 -0.03 0.00 0.00 54.58 54.62 2k43 n ASN 85 Cb 0.59 -2.67 0.04 0.00 -0.61 0.00 0.00 39.78 37.13 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k43 n HIS 86 N -2.43 -1.09 -4.09 3.10 8.25 -1.23 -5.06 115.22 112.67 2k43 n HIS 86 Ca -0.04 0.47 -0.31 0.00 -0.26 0.00 0.00 57.72 57.58 2k43 n HIS 86 Cb 0.35 -3.53 -0.07 0.00 1.12 0.00 0.00 29.99 27.86 2k43 n HIS 86 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k43 s TYR 87 N -3.18 3.19 0.15 4.41 2.02 -1.17 -4.99 117.35 117.78 2k43 s TYR 87 Ca 0.00 0.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 2k43 s TYR 87 Cb -0.00 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 2k43 s TYR 87 CO 0.36 0.52 -0.11 -0.80 -1.57 0.00 0.00 175.55 173.96 2k43 s ASN 88 N -2.15 4.25 0.20 2.29 -0.87 -0.38 -0.87 114.94 117.42 2k43 s ASN 88 Ca 0.27 -0.51 0.07 0.00 -1.57 0.00 0.00 52.86 51.11 2k43 s ASN 88 Cb -0.12 -0.74 -0.05 0.00 -0.02 0.00 0.00 41.25 40.33 2k43 s ASN 88 CO 0.19 0.14 -0.12 -0.89 -2.57 0.00 0.00 177.10 173.85 2k43 s THR 89 N -1.46 1.58 -0.02 1.60 2.01 0.81 -2.70 115.64 117.46 2k43 s THR 89 Ca 0.23 -2.16 0.03 0.00 0.31 0.00 0.00 61.69 60.10 2k43 s THR 89 Cb -0.10 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 2k43 s THR 89 CO 0.14 -0.58 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.07 2k43 s TYR 90 N -3.07 1.15 0.02 4.92 2.02 -1.26 -1.41 117.35 119.73 2k43 s TYR 90 Ca 0.22 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 2k43 s TYR 90 Cb 0.01 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.75 2k43 s TYR 90 CO 0.06 -0.08 0.02 0.42 -1.57 0.00 0.00 175.55 174.39 2k43 s ILE 91 N -0.00 4.22 -0.80 2.71 -1.09 0.18 0.09 121.20 126.52 2k43 s ILE 91 Ca -0.00 -0.67 -0.22 0.00 -2.23 0.00 0.00 60.65 57.52 2k43 s ILE 91 Cb -0.08 -2.93 0.08 0.00 -1.58 0.00 0.00 42.46 37.96 2k43 s ILE 91 CO 0.00 0.30 1.10 -0.44 -1.23 0.00 0.00 174.94 174.68 2k43 s SER 92 N -1.80 6.35 0.00 3.58 0.01 -0.49 -0.69 113.70 120.66 2k43 s SER 92 Ca 0.22 -1.33 0.17 0.00 1.31 0.00 0.00 55.95 56.33 2k43 s SER 92 Cb -0.12 -2.44 0.94 0.00 0.21 0.00 0.00 66.02 64.61 2k43 s SER 92 CO 0.13 -1.37 1.49 1.17 0.41 0.00 0.00 173.24 175.08 2k43 n LYS 93 N 7.65 0.36 0.08 12.44 4.81 -1.25 -0.22 118.16 142.03 2k43 n LYS 93 Ca 0.10 0.08 -0.03 0.00 -0.87 0.00 0.00 58.31 57.59 2k43 n LYS 93 Cb 0.48 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 34.01 2k43 n LYS 93 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2k43 h LYS 94 N 0.00 -0.20 -1.40 1.64 1.63 -1.87 -3.19 116.57 113.17 2k43 h LYS 94 Ca 0.00 0.01 -0.58 0.00 -0.85 0.00 0.00 60.65 59.24 2k43 h LYS 94 Cb 0.10 0.05 -0.23 0.00 -0.60 0.00 0.00 32.23 31.55 2k43 h LYS 94 CO 0.00 -0.13 0.73 0.72 -3.45 0.00 0.00 179.45 177.32 2k43 n HIS 95 N -2.76 2.56 0.06 1.91 8.25 -1.10 -4.63 115.22 119.51 2k43 n HIS 95 Ca -0.03 -2.52 0.19 0.00 -0.26 0.00 0.00 57.72 55.10 2k43 n HIS 95 Cb 0.08 -1.27 0.71 0.00 1.12 0.00 0.00 29.99 30.63 2k43 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k43 h ALA 96 N 2.11 2.33 -0.80 -1.41 0.00 -0.59 0.30 119.26 121.21 2k43 h ALA 96 Ca 0.49 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.55 2k43 h ALA 96 Cb 0.71 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2k43 h ALA 96 CO 1.27 -0.55 0.53 1.49 0.00 0.00 0.00 179.25 181.99 2k43 h GLU 97 N 0.00 0.40 -0.02 0.00 4.81 -1.84 -0.72 114.58 117.21 2k43 h GLU 97 Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2k43 h GLU 97 Cb 0.86 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k43 h GLU 97 CO -0.00 0.27 -0.15 1.63 -0.73 0.00 0.00 179.01 180.03 2k43 n LYS 98 N -4.49 1.70 -1.04 1.92 5.02 0.09 -4.95 118.16 116.41 2k43 n LYS 98 Ca 0.16 -1.27 -0.01 0.00 -2.02 0.00 0.00 58.31 55.17 2k43 n LYS 98 Cb 0.58 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2k43 n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k43 n ASN 99 N 0.46 -3.09 -4.78 4.39 3.02 -0.28 -5.00 115.26 109.98 2k43 n ASN 99 Ca 0.14 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.34 2k43 n ASN 99 Cb 0.47 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 2k43 n ASN 99 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2k43 s TRP 100 N -2.03 3.27 0.09 3.10 -0.00 -1.25 -4.95 118.94 117.17 2k43 s TRP 100 Ca 0.00 1.64 -0.08 0.00 -0.00 0.00 0.00 56.10 57.66 2k43 s TRP 100 Cb 0.00 -3.16 -0.06 0.00 -0.00 0.00 0.00 33.47 30.25 2k43 s TRP 100 CO 0.00 -0.68 0.39 -0.06 -0.00 0.00 0.00 176.95 176.60 2k43 s PHE 101 N -1.59 3.55 -0.34 5.86 0.40 -1.24 -1.40 117.98 123.21 2k43 s PHE 101 Ca 0.57 0.72 -0.21 0.00 -0.60 0.00 0.00 56.93 57.41 2k43 s PHE 101 Cb -0.24 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.18 2k43 s PHE 101 CO 0.30 0.50 0.68 0.08 0.70 0.00 0.00 175.22 177.48 2k43 s VAL 102 N -1.46 4.85 -0.02 -0.44 1.01 0.11 -4.49 120.40 119.97 2k43 s VAL 102 Ca 0.35 0.76 0.02 0.00 0.00 0.00 0.00 61.98 63.10 2k43 s VAL 102 Cb -0.13 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2k43 s VAL 102 CO 0.19 -0.30 -0.06 -0.83 0.00 0.00 0.00 175.10 174.10 2k43 s GLY 103 N 1.76 0.37 0.12 4.51 0.00 -1.26 -4.09 107.32 108.74 2k43 s GLY 103 Ca 0.27 -0.21 0.11 0.00 0.00 0.00 0.00 44.72 44.89 2k43 s GLY 103 CO 0.15 -0.02 -0.27 0.48 0.00 0.00 0.00 173.10 173.44 2k43 s LEU 104 N 0.20 2.31 -0.54 0.66 0.05 -1.18 -0.87 118.68 119.31 2k43 s LEU 104 Ca -0.02 -0.74 -0.10 0.00 0.05 0.00 0.00 54.13 53.32 2k43 s LEU 104 Cb -0.07 -1.21 0.14 0.00 -2.05 0.00 0.00 46.19 43.00 2k43 s LEU 104 CO -0.00 0.18 0.43 -0.75 -0.55 0.00 0.00 176.35 175.66 2k43 s LYS 105 N -2.00 2.70 0.08 1.48 2.47 -0.97 -4.51 119.74 118.99 2k43 s LYS 105 Ca 0.14 -1.92 -0.15 0.00 -1.56 0.00 0.00 55.97 52.48 2k43 s LYS 105 Cb -0.10 -4.03 -0.14 0.00 -1.46 0.00 0.00 37.83 32.10 2k43 s LYS 105 CO 0.06 -1.23 1.31 1.57 0.16 0.00 0.00 175.35 177.22 2k43 h LYS 106 N 8.31 0.68 0.00 4.03 2.10 -1.90 0.81 116.57 130.60 2k43 h LYS 106 Ca -0.17 -0.50 0.00 0.00 -2.00 0.00 0.00 60.65 57.98 2k43 h LYS 106 Cb 1.06 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2k43 h LYS 106 CO 0.86 1.12 0.00 0.27 -2.00 0.00 0.00 179.45 179.70 2k43 n ASN 107 N -4.13 0.00 0.00 7.07 0.23 -1.26 -2.46 115.26 114.71 2k43 n ASN 107 Ca -0.07 -0.23 0.00 0.00 -0.53 0.00 0.00 54.58 53.76 2k43 n ASN 107 Cb 0.62 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k43 n GLY 108 N 0.43 0.19 0.00 4.83 0.00 -0.74 -5.00 105.19 104.90 2k43 n GLY 108 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2k43 n GLY 108 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k43 n SER 109 N -1.51 0.00 -4.84 1.61 2.88 0.28 -4.74 113.62 107.29 2k43 n SER 109 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 2k43 n SER 109 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2k43 n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k43 s LYS 111 N -4.46 3.83 -0.29 0.00 -0.14 -1.26 -4.61 119.74 112.81 2k43 s LYS 111 Ca 0.58 1.50 -0.01 0.00 -1.36 0.00 0.00 55.97 56.69 2k43 s LYS 111 Cb -0.11 -2.25 0.09 0.00 -1.68 0.00 0.00 37.83 33.88 2k43 s LYS 111 CO 0.40 -0.43 0.07 1.03 -0.76 0.00 0.00 175.35 175.67 2k43 s ARG 112 N -2.96 0.85 0.46 1.68 1.81 -0.05 -3.01 118.95 117.72 2k43 s ARG 112 Ca 0.65 -1.05 0.20 0.00 -1.72 0.00 0.00 55.73 53.81 2k43 s ARG 112 Cb -0.21 -2.15 1.11 0.00 -0.45 0.00 0.00 34.95 33.25 2k43 s ARG 112 CO 0.25 -0.91 1.97 0.78 -0.68 0.00 0.00 175.30 176.72 2k43 h GLY 113 N 8.06 0.00 0.20 -3.53 0.00 -0.06 -2.71 103.07 105.03 2k43 h GLY 113 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.37 2k43 h GLY 113 CO 0.45 0.00 0.73 -0.56 0.00 0.00 0.00 176.54 177.17 2k43 h PRO 114 N 0.00 0.00 0.00 4.80 0.13 -1.95 -1.65 132.00 133.33 2k43 h PRO 114 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k43 h PRO 114 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2k43 h PRO 114 CO 0.03 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.34 2k43 n ARG 115 N -3.45 1.77 -2.27 0.86 3.00 -1.04 -4.99 116.66 110.54 2k43 n ARG 115 Ca 0.12 -1.09 -0.38 0.00 -0.01 0.00 0.00 57.85 56.49 2k43 n ARG 115 Cb 0.95 -0.80 -0.03 0.00 0.00 0.00 0.00 32.46 32.58 2k43 n ARG 115 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k43 s THR 116 N -0.59 3.55 -5.00 0.55 -4.23 -0.62 -3.59 115.64 105.70 2k43 s THR 116 Ca 0.00 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2k43 s THR 116 Cb 0.00 -4.40 0.00 0.00 1.34 0.00 0.00 72.50 69.44 2k43 s THR 116 CO 0.00 -1.35 0.00 0.00 -0.54 0.00 0.00 174.62 172.73 2k43 n HIS 117 N 11.32 0.00 -2.77 3.99 1.44 -1.26 -3.70 115.22 124.24 2k43 n HIS 117 Ca 0.17 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.45 2k43 n HIS 117 Cb 0.50 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.61 2k43 n HIS 117 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2k43 s TYR 118 N -2.22 3.10 -0.15 -1.40 1.51 -1.26 -3.79 117.35 113.14 2k43 s TYR 118 Ca 0.00 -1.76 0.00 0.00 -1.01 0.00 0.00 57.07 54.30 2k43 s TYR 118 Cb 0.00 -4.52 -0.09 0.00 -0.11 0.00 0.00 41.96 37.24 2k43 s TYR 118 CO 0.00 -1.61 -0.14 0.41 -1.11 0.00 0.00 175.55 173.10 2k43 n GLY 119 N 4.98 -0.21 3.25 0.71 0.00 -1.24 -5.05 105.19 107.63 2k43 n GLY 119 Ca 0.40 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 2k43 n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k43 s GLN 120 N -2.30 1.04 -0.00 1.61 -0.21 -1.25 -5.02 119.66 113.53 2k43 s GLN 120 Ca -0.20 -1.11 0.10 0.00 0.02 0.00 0.00 55.36 54.17 2k43 s GLN 120 Cb 0.05 -1.21 0.28 0.00 1.00 0.00 0.00 33.01 33.13 2k43 s GLN 120 CO 0.34 0.28 1.24 1.63 -2.12 0.00 0.00 175.29 176.65 2k43 n LYS 121 N 1.11 1.75 -0.01 2.91 5.02 -1.26 -3.07 118.16 124.60 2k43 n LYS 121 Ca -0.20 -1.16 0.14 0.00 -2.02 0.00 0.00 58.31 55.07 2k43 n LYS 121 Cb 0.54 -1.25 0.73 0.00 -0.02 0.00 0.00 35.03 35.03 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k43 n ALA 122 N 0.44 2.64 1.47 7.82 0.00 -1.26 -2.41 120.51 129.20 2k43 n ALA 122 Ca 0.11 -0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.43 2k43 n ALA 122 Cb 0.27 -1.37 0.51 0.00 0.00 0.00 0.00 19.45 18.86 2k43 n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k43 n ILE 123 N -0.63 0.03 -3.74 0.00 2.08 -1.18 -3.08 119.36 112.84 2k43 n ILE 123 Ca 0.20 -0.26 -0.38 0.00 0.56 0.00 0.00 62.75 62.87 2k43 n ILE 123 Cb 0.16 0.48 -0.12 0.00 -0.75 0.00 0.00 39.64 39.41 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2k43 s LEU 124 N -1.95 3.97 0.13 1.39 2.96 -1.01 -4.69 118.68 119.47 2k43 s LEU 124 Ca 0.37 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2k43 s LEU 124 Cb 0.21 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2k43 s LEU 124 CO 0.33 -0.22 -0.04 0.72 -1.32 0.00 0.00 176.35 175.82 2k43 s PHE 125 N 1.50 1.02 0.00 5.38 -0.12 -1.10 -2.64 117.98 122.02 2k43 s PHE 125 Ca 0.02 -0.95 0.05 0.00 -0.05 0.00 0.00 56.93 56.00 2k43 s PHE 125 Cb -0.18 -0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 41.62 2k43 s PHE 125 CO 0.03 -0.16 -0.15 -0.51 -0.05 0.00 0.00 175.22 174.37 2k43 s LEU 126 N -3.10 2.06 -0.44 -1.99 2.01 -0.54 -1.24 118.68 115.45 2k43 s LEU 126 Ca 0.16 -0.32 -0.12 0.00 0.01 0.00 0.00 54.13 53.87 2k43 s LEU 126 Cb 0.05 -0.76 0.07 0.00 0.01 0.00 0.00 46.19 45.57 2k43 s LEU 126 CO -0.01 0.16 0.31 -2.16 1.01 0.00 0.00 176.35 175.65 2k43 s PRO 127 N -0.55 2.75 -0.32 1.29 0.04 -1.26 -2.44 135.00 134.51 2k43 s PRO 127 Ca 0.05 -1.41 0.02 0.00 0.04 0.00 0.00 61.00 59.71 2k43 s PRO 127 Cb -0.06 -3.91 0.08 0.00 0.04 0.00 0.00 34.50 30.65 2k43 s PRO 127 CO -0.00 -0.97 0.01 -0.51 0.04 0.00 0.00 177.00 175.57 2k43 s LEU 128 N 1.51 4.29 0.68 -3.56 1.43 -1.16 -4.86 118.68 117.00 2k43 s LEU 128 Ca 0.03 -1.80 -0.06 0.00 -1.03 0.00 0.00 54.13 51.27 2k43 s LEU 128 Cb -0.23 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.41 2k43 s LEU 128 CO 0.04 -0.32 0.99 -2.16 0.23 0.00 0.00 176.35 175.13 2k43 s PRO 129 N 1.03 2.32 0.13 1.29 0.05 -1.26 -0.58 135.00 137.98 2k43 s PRO 129 Ca 0.02 -0.23 -0.31 0.00 0.05 0.00 0.00 61.00 60.54 2k43 s PRO 129 Cb -0.20 -2.19 -0.08 0.00 0.05 0.00 0.00 34.50 32.08 2k43 s PRO 129 CO -0.06 -1.14 1.38 0.14 0.05 0.00 0.00 177.00 177.37 2k43 s VAL 130 N -3.20 3.26 0.16 -0.36 -7.23 -1.25 -4.88 120.40 106.91 2k43 s VAL 130 Ca 0.59 0.93 0.06 0.00 -1.81 0.00 0.00 61.98 61.76 2k43 s VAL 130 Cb -0.11 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 2k43 s VAL 130 CO 0.45 0.09 0.03 -0.94 -0.31 0.00 0.00 175.10 174.41 2k43 s SER 131 N 0.95 4.97 -0.64 4.85 1.04 -1.23 -3.07 113.70 120.57 2k43 s SER 131 Ca 0.63 -0.30 -0.20 0.00 0.48 0.00 0.00 55.95 56.56 2k43 s SER 131 Cb -0.37 -1.14 0.10 0.00 0.10 0.00 0.00 66.02 64.72 2k43 s SER 131 CO 0.32 0.10 0.80 -0.44 0.98 0.00 0.00 173.24 175.00 2k43 s SER 132 N -2.86 6.24 0.00 7.02 0.01 -1.26 -0.96 113.70 121.88 2k43 s SER 132 Ca 0.28 -1.42 0.17 0.00 1.31 0.00 0.00 55.95 56.29 2k43 s SER 132 Cb -0.10 -2.34 0.14 0.00 0.21 0.00 0.00 66.02 63.93 2k43 s SER 132 CO 0.19 -1.17 1.05 0.47 0.41 0.00 0.00 173.24 174.19