#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 3.82 0.09 -0.72 -0.14 0.28 -4.95 119.74 118.12 2k43 s LYS 2 Ca 0.00 0.27 -0.10 0.00 -1.36 0.00 0.00 55.97 54.78 2k43 s LYS 2 Cb 0.00 -3.07 -0.21 0.00 -1.68 0.00 0.00 37.83 32.87 2k43 s LYS 2 CO 0.00 0.61 1.20 0.87 -0.76 0.00 0.00 175.35 177.26 2k43 h LYS 3 N 4.07 0.54 -6.03 1.68 6.56 -1.95 -2.94 116.57 118.50 2k43 h LYS 3 Ca -0.50 -0.65 -0.83 0.00 -1.06 0.00 0.00 60.65 57.61 2k43 h LYS 3 Cb 1.20 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 33.06 2k43 h LYS 3 CO 0.64 1.26 0.86 -0.35 -2.06 0.00 0.00 179.45 179.81 2k43 n PRO 4 N -3.77 0.27 -3.14 3.15 -0.04 -1.26 -4.52 135.00 125.70 2k43 n PRO 4 Ca -0.10 0.10 -0.24 0.00 -0.04 0.00 0.00 63.50 63.21 2k43 n PRO 4 Cb 0.91 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2k43 n PRO 4 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k43 s LYS 5 N 3.73 3.41 -0.03 0.54 1.02 0.36 0.20 119.74 128.97 2k43 s LYS 5 Ca 1.06 -0.25 -0.06 0.00 0.02 0.00 0.00 55.97 56.74 2k43 s LYS 5 Cb -1.39 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 2k43 s LYS 5 CO 0.75 -0.02 0.21 -1.17 -0.92 0.00 0.00 175.35 174.20 2k43 s LEU 6 N -4.46 4.38 -0.89 3.17 0.20 0.30 -0.29 118.68 121.09 2k43 s LEU 6 Ca 0.43 0.48 -0.18 0.00 0.69 0.00 0.00 54.13 55.56 2k43 s LEU 6 Cb -0.10 -2.50 0.15 0.00 -0.43 0.00 0.00 46.19 43.32 2k43 s LEU 6 CO 0.38 0.30 1.02 -0.22 -0.29 0.00 0.00 176.35 177.54 2k43 s LEU 7 N -1.61 5.47 -0.50 -0.68 1.98 -1.26 -2.96 118.68 119.12 2k43 s LEU 7 Ca 0.24 -2.16 0.04 0.00 -2.89 0.00 0.00 54.13 49.36 2k43 s LEU 7 Cb -0.13 -2.35 0.13 0.00 0.66 0.00 0.00 46.19 44.50 2k43 s LEU 7 CO 0.14 -0.95 0.24 -0.47 -1.89 0.00 0.00 176.35 173.41 2k43 s TYR 8 N 2.10 3.21 -0.55 5.38 6.14 -0.93 -2.31 117.35 130.38 2k43 s TYR 8 Ca 0.28 -3.14 0.05 0.00 0.64 0.00 0.00 57.07 54.90 2k43 s TYR 8 Cb -0.07 -2.81 0.20 0.00 0.42 0.00 0.00 41.96 39.70 2k43 s TYR 8 CO -0.08 -0.76 0.50 0.00 0.64 0.00 0.00 175.55 175.84 2k43 s SER 10 N -1.14 0.09 -0.81 0.00 0.15 -1.22 -3.60 113.70 107.17 2k43 s SER 10 Ca 0.32 -0.47 -0.25 0.00 0.70 0.00 0.00 55.95 56.25 2k43 s SER 10 Cb 0.05 0.28 0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2k43 s SER 10 CO -0.14 -0.57 1.28 0.21 1.20 0.00 0.00 173.24 175.21 2k43 s ASN 11 N -2.23 6.28 0.00 5.45 2.47 -1.26 -4.71 114.94 120.93 2k43 s ASN 11 Ca -0.03 -0.87 0.00 0.00 0.42 0.00 0.00 52.86 52.38 2k43 s ASN 11 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 2k43 s ASN 11 CO -0.05 -1.66 0.00 0.61 -3.72 0.00 0.00 177.10 172.28 2k43 n GLY 12 N 5.78 1.87 0.00 1.21 0.00 -1.26 -5.12 105.19 107.67 2k43 n GLY 12 Ca 0.11 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -2.12 3.36 -0.02 0.00 -1.26 -5.16 105.19 99.99 2k43 n GLY 13 Ca 0.00 1.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.86 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 0.00 1.67 -0.01 1.61 3.76 -1.26 -4.72 115.29 116.34 2k43 s HIS 14 Ca 0.00 -1.12 0.02 0.00 -0.15 0.00 0.00 55.06 53.81 2k43 s HIS 14 Cb 0.00 -1.01 -0.00 0.00 1.11 0.00 0.00 32.58 32.67 2k43 s HIS 14 CO 0.00 -0.24 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.52 2k43 s PHE 15 N -3.61 0.62 -0.14 1.40 0.08 -1.02 -4.67 117.98 110.63 2k43 s PHE 15 Ca 0.37 -0.12 -0.25 0.00 0.12 0.00 0.00 56.93 57.05 2k43 s PHE 15 Cb 0.08 -0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 42.10 2k43 s PHE 15 CO 0.14 -0.02 0.80 -1.17 -0.10 0.00 0.00 175.22 174.87 2k43 s LEU 16 N -0.10 4.21 0.10 -0.37 2.96 -0.98 0.04 118.68 124.55 2k43 s LEU 16 Ca 0.02 1.18 0.07 0.00 -0.22 0.00 0.00 54.13 55.18 2k43 s LEU 16 Cb -0.03 -3.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.42 2k43 s LEU 16 CO -0.00 -0.33 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.39 2k43 s ARG 17 N 1.81 1.05 -0.05 1.98 0.52 0.10 -4.48 118.95 119.89 2k43 s ARG 17 Ca 0.38 -1.15 -0.16 0.00 -0.52 0.00 0.00 55.73 54.28 2k43 s ARG 17 Cb -0.17 -1.18 -0.05 0.00 0.52 0.00 0.00 34.95 34.07 2k43 s ARG 17 CO 0.14 0.26 0.44 0.96 0.02 0.00 0.00 175.30 177.12 2k43 s ILE 18 N -1.43 5.08 0.01 1.52 -4.36 -1.25 -1.92 121.20 118.86 2k43 s ILE 18 Ca 0.06 0.89 0.06 0.00 -0.26 0.00 0.00 60.65 61.40 2k43 s ILE 18 Cb -0.09 -3.76 -0.03 0.00 1.25 0.00 0.00 42.46 39.83 2k43 s ILE 18 CO 0.04 0.48 -0.18 -0.76 0.24 0.00 0.00 174.94 174.76 2k43 s LEU 19 N -0.38 2.60 0.00 0.37 1.02 0.09 -5.01 118.68 117.37 2k43 s LEU 19 Ca 0.24 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 54.02 2k43 s LEU 19 Cb -0.16 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.53 2k43 s LEU 19 CO 0.12 0.28 0.57 -2.65 0.02 0.00 0.00 176.35 174.69 2k43 n PRO 20 N 1.80 0.83 0.00 1.29 -0.02 -1.26 -2.92 135.00 134.71 2k43 n PRO 20 Ca -0.16 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.37 2k43 n PRO 20 Cb 0.52 -1.26 0.03 0.00 -0.02 0.00 0.00 33.50 32.77 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 -0.13 1.70 0.00 2.55 8.00 -1.26 -4.92 116.55 122.49 2k43 n ASP 21 Ca 0.00 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2k43 n ASP 21 Cb 0.13 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2k43 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k43 n GLY 22 N 0.74 0.91 3.13 0.44 0.00 -1.15 -5.04 105.19 104.22 2k43 n GLY 22 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2k43 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k43 s THR 23 N -1.38 -0.03 -0.30 2.61 -4.23 -1.21 -4.40 115.64 106.70 2k43 s THR 23 Ca 0.00 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2k43 s THR 23 Cb 0.00 -0.44 0.08 0.00 1.34 0.00 0.00 72.50 73.48 2k43 s THR 23 CO 0.00 0.04 -0.03 0.54 -0.54 0.00 0.00 174.62 174.64 2k43 s VAL 24 N 1.07 2.32 0.14 2.29 0.11 -1.26 -0.73 120.40 124.34 2k43 s VAL 24 Ca -0.07 -1.92 0.06 0.00 -2.93 0.00 0.00 61.98 57.11 2k43 s VAL 24 Cb -0.08 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 2k43 s VAL 24 CO -0.08 -0.29 -0.13 1.51 -3.33 0.00 0.00 175.10 172.78 2k43 s ASP 25 N 1.06 2.01 0.09 3.54 1.47 -0.81 -3.61 116.67 120.42 2k43 s ASP 25 Ca -0.00 -0.90 -0.24 0.00 1.18 0.00 0.00 52.55 52.59 2k43 s ASP 25 Cb -0.20 -0.06 -0.07 0.00 -0.34 0.00 0.00 42.92 42.26 2k43 s ASP 25 CO -0.06 -0.21 0.73 -0.83 0.68 0.00 0.00 175.17 175.48 2k43 s GLY 26 N -2.81 2.81 -0.06 2.12 0.00 -0.62 0.01 107.32 108.77 2k43 s GLY 26 Ca 0.13 0.26 -0.08 0.00 0.00 0.00 0.00 44.72 45.03 2k43 s GLY 26 CO 0.03 0.90 0.21 -1.59 0.00 0.00 0.00 173.10 172.65 2k43 s THR 27 N -0.60 0.03 -0.45 0.90 2.01 0.11 -4.46 115.64 113.18 2k43 s THR 27 Ca 0.36 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 61.96 2k43 s THR 27 Cb -0.21 -0.38 0.03 0.00 0.01 0.00 0.00 72.50 71.96 2k43 s THR 27 CO 0.23 -0.12 0.52 0.00 -0.69 0.00 0.00 174.62 174.56 2k43 s ARG 28 N -0.39 3.13 -0.24 4.92 1.70 -1.26 -2.43 118.95 124.37 2k43 s ARG 28 Ca -0.05 -0.76 -0.03 0.00 -0.47 0.00 0.00 55.73 54.42 2k43 s ARG 28 Cb -0.03 -4.01 0.11 0.00 -0.57 0.00 0.00 34.95 30.45 2k43 s ARG 28 CO 0.01 -0.98 0.27 -0.51 -1.08 0.00 0.00 175.30 173.00 2k43 s ASP 29 N 2.11 1.36 0.00 -2.89 1.01 -1.26 -4.98 116.67 112.02 2k43 s ASP 29 Ca 0.14 -0.35 0.24 0.00 0.71 0.00 0.00 52.55 53.29 2k43 s ASP 29 Cb -0.18 0.51 0.25 0.00 1.01 0.00 0.00 42.92 44.52 2k43 s ASP 29 CO 0.14 -0.35 1.29 -1.14 0.21 0.00 0.00 175.17 175.32 2k43 n ARG 30 N 5.32 2.36 0.00 8.23 3.00 -1.26 -2.84 116.66 131.47 2k43 n ARG 30 Ca -0.04 -2.02 0.14 0.00 -0.00 0.00 0.00 57.85 55.93 2k43 n ARG 30 Cb 0.48 -1.47 0.57 0.00 0.00 0.00 0.00 32.46 32.04 2k43 n ARG 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2k43 n SER 31 N 1.38 0.83 -4.43 6.15 3.41 -1.26 -4.89 113.62 114.82 2k43 n SER 31 Ca 0.15 -0.95 -0.16 0.00 -0.26 0.00 0.00 58.87 57.65 2k43 n SER 31 Cb 0.60 0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.61 2k43 n SER 31 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k43 n ASP 32 N -0.58 1.72 -0.69 4.04 2.03 -1.13 -5.04 116.55 116.90 2k43 n ASP 32 Ca 0.16 -2.26 0.06 0.00 0.52 0.00 0.00 54.79 53.27 2k43 n ASP 32 Cb 0.30 -0.37 0.17 0.00 -0.72 0.00 0.00 41.12 40.50 2k43 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k43 n GLN 33 N -2.08 2.87 0.00 -0.67 6.02 -1.26 -4.63 117.38 117.63 2k43 n GLN 33 Ca 0.14 -2.10 0.10 0.00 -0.01 0.00 0.00 57.00 55.12 2k43 n GLN 33 Cb 0.50 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.44 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 0.56 0.00 0.97 1.08 8.25 -1.26 -4.31 115.22 120.51 2k43 n HIS 34 Ca 0.13 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.64 2k43 n HIS 34 Cb 0.45 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.70 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 -0.31 0.44 -3.61 1.59 -5.35 -1.26 -3.81 119.36 107.05 2k43 n ILE 35 Ca 0.07 -0.43 -0.40 0.00 -0.27 0.00 0.00 62.75 61.73 2k43 n ILE 35 Cb 0.40 0.20 -0.09 0.00 -1.74 0.00 0.00 39.64 38.41 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k43 s GLN 36 N -1.58 2.36 -0.07 6.28 -2.07 -1.26 -4.10 119.66 119.22 2k43 s GLN 36 Ca 0.21 -1.76 0.02 0.00 -1.82 0.00 0.00 55.36 52.01 2k43 s GLN 36 Cb 0.11 -3.83 -0.02 0.00 -1.09 0.00 0.00 33.01 28.18 2k43 s GLN 36 CO 0.14 -1.15 -0.13 -0.48 -1.32 0.00 0.00 175.29 172.35 2k43 s LEU 37 N 1.31 2.77 -0.49 2.60 0.05 0.60 -3.05 118.68 122.47 2k43 s LEU 37 Ca 0.06 -0.21 -0.20 0.00 0.05 0.00 0.00 54.13 53.83 2k43 s LEU 37 Cb -0.25 -1.58 0.04 0.00 -2.05 0.00 0.00 46.19 42.35 2k43 s LEU 37 CO -0.01 0.30 0.68 -1.58 -0.55 0.00 0.00 176.35 175.18 2k43 s GLN 38 N -0.45 3.21 -0.42 1.48 -0.44 0.14 0.14 119.66 123.31 2k43 s GLN 38 Ca 0.06 -0.62 -0.04 0.00 -2.50 0.00 0.00 55.36 52.26 2k43 s GLN 38 Cb -0.12 -4.04 0.11 0.00 -1.64 0.00 0.00 33.01 27.32 2k43 s GLN 38 CO 0.02 -1.19 0.23 -0.51 0.50 0.00 0.00 175.29 174.34 2k43 s LEU 39 N 2.90 5.32 0.40 3.68 2.01 -1.26 -1.37 118.68 130.36 2k43 s LEU 39 Ca 0.20 -1.99 0.08 0.00 0.01 0.00 0.00 54.13 52.42 2k43 s LEU 39 Cb -0.16 -1.86 -0.03 0.00 0.01 0.00 0.00 46.19 44.14 2k43 s LEU 39 CO 0.15 -0.57 0.30 -0.55 1.01 0.00 0.00 176.35 176.70 2k43 s SER 40 N 1.98 4.92 -0.47 2.29 0.15 -1.16 -4.94 113.70 116.48 2k43 s SER 40 Ca 0.07 -0.78 -0.04 0.00 0.70 0.00 0.00 55.95 55.90 2k43 s SER 40 Cb -0.23 -0.62 0.12 0.00 -1.71 0.00 0.00 66.02 63.58 2k43 s SER 40 CO -0.03 -0.56 0.29 0.00 1.20 0.00 0.00 173.24 174.14 2k43 s ALA 41 N -2.47 3.30 -0.17 5.45 0.00 -1.26 -0.92 121.76 125.70 2k43 s ALA 41 Ca 0.45 -2.69 -0.10 0.00 0.00 0.00 0.00 51.96 49.62 2k43 s ALA 41 Cb -0.02 -2.57 -0.23 0.00 0.00 0.00 0.00 23.12 20.31 2k43 s ALA 41 CO 0.26 -1.89 0.21 0.39 0.00 0.00 0.00 175.76 174.73 2k43 n GLU 42 N 4.43 0.69 -3.62 0.00 -0.58 -0.90 -4.92 120.64 115.74 2k43 n GLU 42 Ca -0.01 0.33 -0.23 0.00 -0.42 0.00 0.00 57.16 56.83 2k43 n GLU 42 Cb 0.41 -1.68 -0.01 0.00 -0.57 0.00 0.00 31.44 29.59 2k43 n GLU 42 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k43 s SER 43 N -6.97 4.87 -0.11 1.62 0.01 -1.23 -5.03 113.70 106.87 2k43 s SER 43 Ca -0.26 -0.97 -0.29 0.00 1.31 0.00 0.00 55.95 55.73 2k43 s SER 43 Cb 0.07 -0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.21 2k43 s SER 43 CO 0.69 -0.95 1.97 0.54 0.41 0.00 0.00 173.24 175.90 2k43 s VAL 44 N -2.63 3.18 0.00 3.43 0.11 -1.26 -2.38 120.40 120.85 2k43 s VAL 44 Ca 0.44 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 2k43 s VAL 44 Cb -0.03 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2k43 s VAL 44 CO 0.27 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.58 2k43 n GLY 45 N 4.98 3.03 3.83 6.54 0.00 -1.26 -4.98 105.19 117.33 2k43 n GLY 45 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2k43 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k43 s GLU 46 N -0.17 3.17 0.01 1.61 -1.05 -1.00 -1.63 118.70 119.63 2k43 s GLU 46 Ca 0.00 -0.49 0.05 0.00 -0.15 0.00 0.00 54.97 54.38 2k43 s GLU 46 Cb 0.00 -2.91 -0.03 0.00 -0.44 0.00 0.00 34.13 30.75 2k43 s GLU 46 CO 0.00 0.63 -0.11 0.14 0.95 0.00 0.00 175.26 176.86 2k43 s VAL 47 N -1.32 3.29 -0.11 1.83 -7.23 -0.60 -2.13 120.40 114.13 2k43 s VAL 47 Ca 0.27 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 2k43 s VAL 47 Cb -0.12 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 2k43 s VAL 47 CO 0.19 0.40 -0.19 -0.47 -0.31 0.00 0.00 175.10 174.71 2k43 s TYR 48 N -0.94 2.65 -0.33 2.82 6.14 -0.09 -2.65 117.35 124.94 2k43 s TYR 48 Ca 0.16 -0.84 -0.15 0.00 0.64 0.00 0.00 57.07 56.88 2k43 s TYR 48 Cb -0.11 -1.75 -0.02 0.00 0.42 0.00 0.00 41.96 40.50 2k43 s TYR 48 CO 0.06 -0.30 0.33 0.42 0.64 0.00 0.00 175.55 176.70 2k43 s ILE 49 N 0.27 5.19 0.13 3.14 1.01 -1.26 -2.98 121.20 126.71 2k43 s ILE 49 Ca -0.14 0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.65 2k43 s ILE 49 Cb -0.17 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2k43 s ILE 49 CO 0.07 -0.05 -0.23 -0.54 0.00 0.00 0.00 174.94 174.19 2k43 s LYS 50 N 1.96 1.29 0.05 2.79 1.02 -0.47 -4.64 119.74 121.74 2k43 s LYS 50 Ca 0.11 -1.32 -0.26 0.00 0.02 0.00 0.00 55.97 54.53 2k43 s LYS 50 Cb -0.17 -1.61 -0.05 0.00 -0.52 0.00 0.00 37.83 35.48 2k43 s LYS 50 CO 0.11 0.37 0.79 -1.12 -0.92 0.00 0.00 175.35 174.58 2k43 s SER 51 N -2.19 7.24 0.00 2.83 0.01 -1.13 0.24 113.70 120.71 2k43 s SER 51 Ca 0.12 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2k43 s SER 51 Cb -0.09 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2k43 s SER 51 CO 0.06 0.00 0.00 0.41 0.41 0.00 0.00 173.24 174.12 2k43 n THR 52 N 2.82 0.00 -0.09 1.44 -1.04 -1.19 -4.66 114.28 111.55 2k43 n THR 52 Ca -0.02 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.81 2k43 n THR 52 Cb 0.50 -0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.90 2k43 n THR 52 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2k43 h GLU 53 N 0.00 0.00 -0.10 -2.82 4.57 -1.91 -3.41 114.58 110.92 2k43 h GLU 53 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2k43 h GLU 53 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2k43 h GLU 53 CO 0.00 0.89 -0.02 0.25 -1.18 0.00 0.00 179.01 178.95 2k43 n THR 54 N -4.49 2.06 0.12 0.32 -2.24 -1.26 -4.97 114.28 103.82 2k43 n THR 54 Ca -0.25 -2.20 0.08 0.00 -2.27 0.00 0.00 64.05 59.40 2k43 n THR 54 Cb 0.60 -0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.68 0.00 0.00 3.38 0.00 -1.78 -3.41 103.07 101.94 2k43 h GLY 55 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2k43 h GLY 55 CO 0.09 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.45 2k43 n GLN 56 N -2.90 0.00 -2.88 4.80 -0.06 -1.26 -3.79 117.38 111.29 2k43 n GLN 56 Ca -0.01 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.64 2k43 n GLN 56 Cb 0.64 0.00 -0.01 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 0.00 3.24 -2.74 3.69 4.02 -1.26 -2.82 117.16 121.29 2k43 n TYR 57 Ca 0.00 -3.24 -0.38 0.00 -0.01 0.00 0.00 57.90 54.27 2k43 n TYR 57 Cb 0.00 -0.89 -0.06 0.00 -0.02 0.00 0.00 39.34 38.37 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 -3.62 4.48 -0.03 7.72 0.20 -1.25 -2.12 118.68 124.05 2k43 s LEU 58 Ca 0.41 1.92 -0.01 0.00 0.69 0.00 0.00 54.13 57.15 2k43 s LEU 58 Cb 0.20 -3.83 0.03 0.00 -0.43 0.00 0.00 46.19 42.16 2k43 s LEU 58 CO -0.09 0.01 0.04 0.00 -0.29 0.00 0.00 176.35 176.02 2k43 s ALA 59 N -1.41 0.17 -0.20 5.97 0.00 -0.65 -3.42 121.76 122.23 2k43 s ALA 59 Ca 0.46 0.24 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 2k43 s ALA 59 Cb -0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2k43 s ALA 59 CO 0.28 -0.29 0.74 0.00 0.00 0.00 0.00 175.76 176.50 2k43 s MET 60 N 1.59 4.24 -0.23 0.00 0.23 -1.21 -2.02 119.30 121.90 2k43 s MET 60 Ca -0.02 0.83 -0.03 0.00 -1.03 0.00 0.00 55.69 55.44 2k43 s MET 60 Cb -0.13 -3.59 0.01 0.00 -1.53 0.00 0.00 34.83 29.59 2k43 s MET 60 CO -0.03 -0.33 -0.06 0.34 -2.03 0.00 0.00 175.02 172.91 2k43 s ASP 61 N 1.22 4.22 0.00 -1.18 2.15 -0.75 -4.38 116.67 117.96 2k43 s ASP 61 Ca 0.33 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.70 2k43 s ASP 61 Cb -0.16 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2k43 s ASP 61 CO 0.11 -0.07 0.00 0.41 -0.17 0.00 0.00 175.17 175.45 2k43 n THR 62 N 4.74 0.00 -0.42 1.71 -1.04 -1.26 -2.39 114.28 115.61 2k43 n THR 62 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2k43 n THR 62 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 0.00 -0.69 -0.11 8.00 2.03 -1.26 -4.87 116.55 119.65 2k43 n ASP 63 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 2k43 n ASP 63 Cb 0.00 -0.11 -0.08 0.00 -0.72 0.00 0.00 41.12 40.21 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 -2.23 -0.60 3.46 0.27 0.00 -1.00 -4.73 105.19 100.36 2k43 n GLY 64 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -7.75 2.89 -0.28 0.99 1.02 -1.18 0.90 118.68 115.27 2k43 s LEU 65 Ca -0.32 -0.20 -0.03 0.00 0.02 0.00 0.00 54.13 53.60 2k43 s LEU 65 Cb 0.09 -1.63 0.03 0.00 0.02 0.00 0.00 46.19 44.70 2k43 s LEU 65 CO 0.47 0.26 -0.01 -1.48 0.02 0.00 0.00 176.35 175.61 2k43 s LEU 66 N -0.19 3.61 0.07 1.79 -0.00 -1.26 -1.80 118.68 120.90 2k43 s LEU 66 Ca 0.01 -1.00 0.05 0.00 -0.00 0.00 0.00 54.13 53.19 2k43 s LEU 66 Cb -0.13 -1.73 -0.03 0.00 -0.00 0.00 0.00 46.19 44.30 2k43 s LEU 66 CO 0.03 -0.20 -0.14 -0.72 -0.00 0.00 0.00 176.35 175.32 2k43 s TYR 67 N 1.33 1.21 -0.28 3.48 1.13 -0.86 -4.75 117.35 118.61 2k43 s TYR 67 Ca -0.01 -0.48 -0.16 0.00 -1.41 0.00 0.00 57.07 55.01 2k43 s TYR 67 Cb -0.18 -0.68 0.09 0.00 -1.10 0.00 0.00 41.96 40.10 2k43 s TYR 67 CO -0.02 0.06 0.74 0.20 -2.51 0.00 0.00 175.55 174.02 2k43 s GLY 68 N -1.81 -0.53 0.00 5.49 0.00 -1.26 -1.64 107.32 107.56 2k43 s GLY 68 Ca -0.01 2.53 0.00 0.00 0.00 0.00 0.00 44.72 47.24 2k43 s GLY 68 CO 0.02 2.42 0.00 1.44 0.00 0.00 0.00 173.10 176.98 2k43 n SER 69 N 4.17 0.00 -0.04 1.64 7.64 -0.90 -4.04 113.62 122.09 2k43 n SER 69 Ca -0.20 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.50 2k43 n SER 69 Cb 0.59 0.15 -0.13 0.00 -1.01 0.00 0.00 64.21 63.81 2k43 n SER 69 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k43 h GLN 70 N 0.00 0.10 -4.72 1.43 4.15 -1.91 -3.41 115.11 110.74 2k43 h GLN 70 Ca 0.00 -0.18 -0.28 0.00 0.77 0.00 0.00 58.65 58.96 2k43 h GLN 70 Cb 0.00 0.07 -0.19 0.00 0.21 0.00 0.00 27.48 27.57 2k43 h GLN 70 CO 0.00 1.08 -0.73 0.95 -1.93 0.00 0.00 178.83 178.21 2k43 s THR 71 N -2.34 0.70 -0.40 2.39 -4.23 -1.26 -4.98 115.64 105.52 2k43 s THR 71 Ca -0.20 -1.43 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 2k43 s THR 71 Cb 0.01 -1.08 0.10 0.00 1.34 0.00 0.00 72.50 72.87 2k43 s THR 71 CO 0.71 -0.54 0.20 -2.16 -0.54 0.00 0.00 174.62 172.30 2k43 s PRO 72 N -2.43 2.19 0.65 3.99 0.04 -1.26 -3.96 135.00 134.23 2k43 s PRO 72 Ca -0.01 -1.69 0.03 0.00 0.04 0.00 0.00 61.00 59.37 2k43 s PRO 72 Cb -0.05 -3.60 0.12 0.00 0.04 0.00 0.00 34.50 31.02 2k43 s PRO 72 CO -0.01 -1.01 0.90 -1.71 0.04 0.00 0.00 177.00 175.21 2k43 n ASN 73 N 4.68 1.51 -4.34 6.66 2.85 -1.25 -4.95 115.26 120.42 2k43 n ASN 73 Ca -0.05 -2.20 -0.46 0.00 -0.11 0.00 0.00 54.58 51.75 2k43 n ASN 73 Cb 0.42 -0.55 -0.04 0.00 1.24 0.00 0.00 39.78 40.85 2k43 n ASN 73 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2k43 s GLU 74 N -4.85 3.29 0.00 1.20 2.12 -1.26 -2.41 118.70 116.80 2k43 s GLU 74 Ca 0.62 -1.95 0.00 0.00 0.36 0.00 0.00 54.97 54.00 2k43 s GLU 74 Cb -0.04 -4.39 0.00 0.00 0.26 0.00 0.00 34.13 29.96 2k43 s GLU 74 CO 0.40 -1.38 0.00 0.39 -0.54 0.00 0.00 175.26 174.13 2k43 n GLU 75 N 5.03 4.74 0.27 4.30 -0.58 -1.26 -4.88 120.64 128.25 2k43 n GLU 75 Ca 0.01 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.93 2k43 n GLU 75 Cb 0.44 -0.49 0.96 0.00 -0.57 0.00 0.00 31.44 31.78 2k43 n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k43 s LEU 77 N -5.48 4.48 0.17 0.00 0.05 -1.26 -4.22 118.68 112.42 2k43 s LEU 77 Ca -0.04 1.26 0.04 0.00 0.05 0.00 0.00 54.13 55.44 2k43 s LEU 77 Cb 0.10 -2.97 -0.05 0.00 -2.05 0.00 0.00 46.19 41.23 2k43 s LEU 77 CO 0.33 0.17 -0.06 -0.36 -0.55 0.00 0.00 176.35 175.88 2k43 s PHE 78 N -0.60 1.33 -0.00 3.48 0.08 -1.09 -4.03 117.98 117.16 2k43 s PHE 78 Ca 0.31 -0.85 -0.21 0.00 0.12 0.00 0.00 56.93 56.30 2k43 s PHE 78 Cb -0.19 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 2k43 s PHE 78 CO 0.19 -0.00 0.60 -1.17 -0.10 0.00 0.00 175.22 174.74 2k43 s LEU 79 N -3.21 4.42 -0.24 -0.37 2.96 0.13 -1.56 118.68 120.82 2k43 s LEU 79 Ca 0.21 1.18 -0.13 0.00 -0.22 0.00 0.00 54.13 55.16 2k43 s LEU 79 Cb 0.04 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 2k43 s LEU 79 CO 0.03 0.10 0.29 -0.70 -1.32 0.00 0.00 176.35 174.75 2k43 s GLU 80 N -0.18 4.09 -0.25 1.98 2.12 -0.65 -0.25 118.70 125.56 2k43 s GLU 80 Ca 0.31 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.60 2k43 s GLU 80 Cb -0.18 -3.57 0.07 0.00 0.26 0.00 0.00 34.13 30.71 2k43 s GLU 80 CO 0.17 -0.06 -0.01 0.50 -0.54 0.00 0.00 175.26 175.33 2k43 s ARG 81 N 1.41 1.33 -0.20 4.30 3.52 -0.44 -4.93 118.95 123.93 2k43 s ARG 81 Ca 0.13 -1.01 -0.09 0.00 -0.13 0.00 0.00 55.73 54.63 2k43 s ARG 81 Cb -0.15 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2k43 s ARG 81 CO 0.07 -0.70 0.10 -0.48 -0.81 0.00 0.00 175.30 173.49 2k43 s LEU 82 N 1.45 3.97 0.27 -0.88 0.05 -1.26 0.31 118.68 122.58 2k43 s LEU 82 Ca -0.01 0.11 -0.17 0.00 0.05 0.00 0.00 54.13 54.11 2k43 s LEU 82 Cb -0.18 -2.03 -0.09 0.00 -2.05 0.00 0.00 46.19 41.84 2k43 s LEU 82 CO -0.09 0.14 0.72 -0.70 -0.55 0.00 0.00 176.35 175.87 2k43 s GLU 83 N 0.58 4.11 -0.25 1.48 2.12 -0.05 -4.94 118.70 121.76 2k43 s GLU 83 Ca 0.06 0.75 -0.19 0.00 0.36 0.00 0.00 54.97 55.94 2k43 s GLU 83 Cb -0.12 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.58 2k43 s GLU 83 CO 0.01 0.28 0.55 -1.21 -0.54 0.00 0.00 175.26 174.35 2k43 s GLU 84 N -2.47 4.10 -0.82 4.30 2.02 -1.26 -3.28 118.70 121.29 2k43 s GLU 84 Ca 0.48 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.88 2k43 s GLU 84 Cb -0.13 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.46 2k43 s GLU 84 CO 0.19 -0.34 0.00 -1.71 0.02 0.00 0.00 175.26 173.42 2k43 n ASN 85 N 5.49 -4.91 0.00 -0.19 4.05 -1.26 -4.75 115.26 113.70 2k43 n ASN 85 Ca -0.03 0.19 0.00 0.00 0.45 0.00 0.00 54.58 55.19 2k43 n ASN 85 Cb 0.50 -3.08 0.00 0.00 1.23 0.00 0.00 39.78 38.42 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 2k43 n HIS 86 N -2.45 0.00 -3.54 1.20 8.25 -1.24 -5.15 115.22 112.29 2k43 n HIS 86 Ca -0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 2k43 n HIS 86 Cb 0.42 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 2k43 n HIS 86 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2k43 s TYR 87 N -0.71 -0.34 0.17 4.41 -0.85 -1.21 -5.06 117.35 113.77 2k43 s TYR 87 Ca 0.00 0.15 -0.04 0.00 -0.52 0.00 0.00 57.07 56.66 2k43 s TYR 87 Cb 0.00 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.85 2k43 s TYR 87 CO 0.00 -0.66 0.40 1.21 -1.52 0.00 0.00 175.55 174.98 2k43 s ASN 88 N -2.61 6.47 0.20 -0.18 3.84 0.34 -0.87 114.94 122.13 2k43 s ASN 88 Ca 0.06 0.57 0.08 0.00 0.21 0.00 0.00 52.86 53.78 2k43 s ASN 88 Cb -0.01 -2.08 -0.05 0.00 -0.55 0.00 0.00 41.25 38.56 2k43 s ASN 88 CO -0.07 0.00 -0.14 -0.89 -2.79 0.00 0.00 177.10 173.20 2k43 s THR 89 N -1.75 1.72 -0.01 -5.21 2.01 0.15 -0.78 115.64 111.76 2k43 s THR 89 Ca 0.41 -2.19 0.00 0.00 0.31 0.00 0.00 61.69 60.22 2k43 s THR 89 Cb -0.12 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.38 2k43 s THR 89 CO 0.26 -0.59 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.29 2k43 s TYR 90 N -2.95 0.14 -0.12 4.92 2.02 -1.26 -1.33 117.35 118.76 2k43 s TYR 90 Ca 0.22 0.01 -0.06 0.00 -0.37 0.00 0.00 57.07 56.87 2k43 s TYR 90 Cb -0.01 -0.18 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 2k43 s TYR 90 CO 0.07 -0.05 0.11 0.42 -1.57 0.00 0.00 175.55 174.53 2k43 s ILE 91 N 0.41 5.26 -0.77 2.71 1.01 0.66 -1.77 121.20 128.70 2k43 s ILE 91 Ca -0.04 0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 2k43 s ILE 91 Cb -0.06 -3.29 0.08 0.00 0.01 0.00 0.00 42.46 39.20 2k43 s ILE 91 CO -0.01 0.60 1.09 -0.55 0.00 0.00 0.00 174.94 176.07 2k43 s SER 92 N -0.85 6.31 0.00 3.58 0.15 -1.18 0.20 113.70 121.92 2k43 s SER 92 Ca 0.14 -1.21 0.15 0.00 0.70 0.00 0.00 55.95 55.72 2k43 s SER 92 Cb -0.12 -2.45 0.75 0.00 -1.71 0.00 0.00 66.02 62.49 2k43 s SER 92 CO 0.03 -1.42 1.40 1.17 1.20 0.00 0.00 173.24 175.63 2k43 n LYS 93 N 7.79 0.22 0.16 5.44 4.81 -1.26 0.39 118.16 135.72 2k43 n LYS 93 Ca 0.07 0.14 -0.07 0.00 -0.87 0.00 0.00 58.31 57.58 2k43 n LYS 93 Cb 0.47 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.99 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 -0.42 -1.00 1.64 1.63 -1.88 -3.21 116.57 113.33 2k43 h LYS 94 Ca 0.00 0.03 -0.53 0.00 -0.85 0.00 0.00 60.65 59.30 2k43 h LYS 94 Cb 0.13 0.09 -0.30 0.00 -0.60 0.00 0.00 32.23 31.55 2k43 h LYS 94 CO 0.00 -0.28 0.67 0.72 -3.45 0.00 0.00 179.45 177.11 2k43 n HIS 95 N -3.30 3.06 -0.25 1.91 8.25 -0.29 -4.63 115.22 119.97 2k43 n HIS 95 Ca -0.05 -1.95 0.06 0.00 -0.26 0.00 0.00 57.72 55.52 2k43 n HIS 95 Cb 0.18 -0.99 0.19 0.00 1.12 0.00 0.00 29.99 30.49 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 1.11 1.01 0.00 -1.41 0.00 -0.06 0.05 119.26 119.95 2k43 h ALA 96 Ca 0.63 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.66 2k43 h ALA 96 Cb 2.66 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 20.62 2k43 h ALA 96 CO 1.14 -0.29 -0.10 1.49 0.00 0.00 0.00 179.25 181.49 2k43 h GLU 97 N 0.34 0.00 -0.03 0.00 4.57 -1.83 -0.83 114.58 116.80 2k43 h GLU 97 Ca 0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 2k43 h GLU 97 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2k43 h GLU 97 CO -0.47 0.10 0.00 1.17 -1.18 0.00 0.00 179.01 178.64 2k43 n LYS 98 N -3.43 1.40 -0.91 1.92 3.00 -0.02 -4.87 118.16 115.25 2k43 n LYS 98 Ca -0.01 -0.58 0.00 0.00 -0.00 0.00 0.00 58.31 57.72 2k43 n LYS 98 Cb 0.26 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.84 2k43 n LYS 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2k43 n ASN 99 N -0.27 -2.73 -4.74 3.14 4.05 -0.31 -5.02 115.26 109.38 2k43 n ASN 99 Ca 0.20 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.82 2k43 n ASN 99 Cb 0.24 -0.45 -0.05 0.00 1.23 0.00 0.00 39.78 40.75 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 2k43 s TRP 100 N -2.00 3.88 -0.00 1.20 0.52 -1.06 -4.94 118.94 116.54 2k43 s TRP 100 Ca 0.00 1.85 -0.02 0.00 0.02 0.00 0.00 56.10 57.95 2k43 s TRP 100 Cb 0.00 -3.04 -0.04 0.00 -1.15 0.00 0.00 33.47 29.24 2k43 s TRP 100 CO 0.00 0.25 0.16 -0.06 0.02 0.00 0.00 176.95 177.32 2k43 s PHE 101 N -0.72 3.48 -0.32 -1.98 0.40 -1.02 -3.08 117.98 114.74 2k43 s PHE 101 Ca 0.44 0.32 -0.18 0.00 -0.60 0.00 0.00 56.93 56.90 2k43 s PHE 101 Cb -0.26 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 2k43 s PHE 101 CO 0.32 0.62 0.52 0.54 0.70 0.00 0.00 175.22 177.92 2k43 s VAL 102 N -1.30 5.02 0.01 -0.44 0.11 -0.73 -4.47 120.40 118.60 2k43 s VAL 102 Ca 0.27 0.52 0.03 0.00 -2.93 0.00 0.00 61.98 59.86 2k43 s VAL 102 Cb -0.12 -3.93 -0.01 0.00 -1.53 0.00 0.00 36.38 30.79 2k43 s VAL 102 CO 0.18 -0.13 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.91 2k43 s GLY 103 N 1.70 0.46 0.01 6.54 0.00 -1.26 -4.41 107.32 110.36 2k43 s GLY 103 Ca 0.20 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.45 2k43 s GLY 103 CO 0.12 -0.47 -0.09 0.48 0.00 0.00 0.00 173.10 173.14 2k43 s LEU 104 N -0.64 2.10 -0.49 0.66 0.05 -1.09 -2.41 118.68 116.86 2k43 s LEU 104 Ca -0.00 -0.29 -0.16 0.00 0.05 0.00 0.00 54.13 53.73 2k43 s LEU 104 Cb -0.05 -0.39 0.07 0.00 -2.05 0.00 0.00 46.19 43.77 2k43 s LEU 104 CO 0.00 0.02 0.46 -0.75 -0.55 0.00 0.00 176.35 175.53 2k43 s LYS 105 N -0.67 3.01 0.44 1.48 2.47 0.29 -4.45 119.74 122.31 2k43 s LYS 105 Ca 0.00 -1.28 0.22 0.00 -1.56 0.00 0.00 55.97 53.35 2k43 s LYS 105 Cb -0.05 -4.14 1.01 0.00 -1.46 0.00 0.00 37.83 33.18 2k43 s LYS 105 CO 0.00 -1.10 1.89 1.57 0.16 0.00 0.00 175.35 177.86 2k43 h LYS 106 N 8.83 0.00 0.00 4.03 -0.00 -1.75 0.72 116.57 128.40 2k43 h LYS 106 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 2k43 h LYS 106 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 2k43 h LYS 106 CO 0.91 0.25 0.00 -1.71 -0.00 0.00 0.00 179.45 178.90 2k43 n ASN 107 N -3.61 0.27 0.00 7.07 5.15 -1.26 -2.87 115.26 120.00 2k43 n ASN 107 Ca -0.01 0.53 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 2k43 n ASN 107 Cb 0.38 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k43 n GLY 108 N 1.20 0.44 3.63 8.20 0.00 -0.48 -4.87 105.19 113.32 2k43 n GLY 108 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2k43 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k43 s SER 109 N 1.00 -0.20 0.42 1.61 0.01 0.24 -1.59 113.70 115.19 2k43 s SER 109 Ca 0.00 -0.68 -0.22 0.00 1.31 0.00 0.00 55.95 56.36 2k43 s SER 109 Cb 0.00 0.62 -0.11 0.00 0.21 0.00 0.00 66.02 66.74 2k43 s SER 109 CO 0.00 -1.16 0.96 0.00 0.41 0.00 0.00 173.24 173.44 2k43 s LYS 111 N -3.00 2.60 0.18 0.00 -0.14 -1.01 -4.70 119.74 113.67 2k43 s LYS 111 Ca 0.60 -0.99 0.03 0.00 -1.36 0.00 0.00 55.97 54.26 2k43 s LYS 111 Cb -0.11 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 2k43 s LYS 111 CO 0.15 0.48 0.30 1.03 -0.76 0.00 0.00 175.35 176.55 2k43 s ARG 112 N -2.91 3.42 0.40 1.68 0.52 -1.25 -3.98 118.95 116.82 2k43 s ARG 112 Ca 0.28 -0.67 0.14 0.00 -0.52 0.00 0.00 55.73 54.97 2k43 s ARG 112 Cb -0.10 -2.93 0.85 0.00 0.52 0.00 0.00 34.95 33.29 2k43 s ARG 112 CO 0.20 0.49 1.88 0.78 0.02 0.00 0.00 175.30 178.67 2k43 h GLY 113 N 1.81 0.00 1.42 -3.53 0.00 0.22 -2.46 103.07 100.54 2k43 h GLY 113 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2k43 h GLY 113 CO 0.66 0.00 0.23 -0.56 0.00 0.00 0.00 176.54 176.87 2k43 h PRO 114 N 0.00 0.00 0.00 4.80 0.13 -1.96 -1.61 132.00 133.36 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 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2k43 h PRO 114 CO 0.04 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.35 2k43 n ARG 115 N -2.23 1.81 -2.89 0.86 3.00 -0.93 -4.96 116.66 111.30 2k43 n ARG 115 Ca -0.01 -1.10 -0.43 0.00 -0.01 0.00 0.00 57.85 56.29 2k43 n ARG 115 Cb 0.26 -0.81 -0.03 0.00 0.00 0.00 0.00 32.46 31.87 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 -0.61 4.56 -2.07 0.55 -4.23 -0.61 -3.86 115.64 109.36 2k43 s THR 116 Ca 0.00 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2k43 s THR 116 Cb 0.00 -4.75 0.00 0.00 1.34 0.00 0.00 72.50 69.09 2k43 s THR 116 CO 0.00 -1.50 0.00 1.41 -0.54 0.00 0.00 174.62 173.99 2k43 n HIS 117 N 7.05 0.00 -2.71 3.99 8.25 -1.26 -2.44 115.22 128.09 2k43 n HIS 117 Ca 0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.16 2k43 n HIS 117 Cb 0.48 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.59 2k43 n HIS 117 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2k43 s TYR 118 N -2.51 3.02 -0.08 4.41 5.04 -1.26 -3.83 117.35 122.14 2k43 s TYR 118 Ca 0.00 -1.77 0.05 0.00 -2.44 0.00 0.00 57.07 52.91 2k43 s TYR 118 Cb 0.00 -4.60 -0.09 0.00 0.35 0.00 0.00 41.96 37.62 2k43 s TYR 118 CO 0.00 -1.67 0.00 0.41 -1.34 0.00 0.00 175.55 172.95 2k43 n GLY 119 N 5.01 -0.31 3.09 8.97 0.00 -1.25 -5.08 105.19 115.61 2k43 n GLY 119 Ca 0.44 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 2k43 n GLY 119 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k43 s GLN 120 N -2.18 0.60 -0.04 1.61 2.00 -1.25 -5.02 119.66 115.38 2k43 s GLN 120 Ca -0.06 -1.09 0.04 0.00 -2.00 0.00 0.00 55.36 52.25 2k43 s GLN 120 Cb 0.02 0.04 0.18 0.00 0.80 0.00 0.00 33.01 34.05 2k43 s GLN 120 CO 0.29 -0.06 0.88 1.63 -0.50 0.00 0.00 175.29 177.53 2k43 n LYS 121 N 0.47 1.74 0.07 1.67 4.76 -1.26 -3.23 118.16 122.38 2k43 n LYS 121 Ca -0.16 -0.68 0.12 0.00 -2.87 0.00 0.00 58.31 54.71 2k43 n LYS 121 Cb 0.59 -1.52 0.46 0.00 -1.84 0.00 0.00 35.03 32.73 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k43 n ALA 122 N 0.10 2.01 1.34 7.82 0.00 -1.26 -2.37 120.51 128.15 2k43 n ALA 122 Ca 0.06 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.61 2k43 n ALA 122 Cb 0.37 -1.40 0.44 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 -1.93 0.09 -3.31 0.00 2.08 -1.20 -2.66 119.36 112.44 2k43 n ILE 123 Ca 0.05 -0.31 -0.47 0.00 0.56 0.00 0.00 62.75 62.58 2k43 n ILE 123 Cb 0.31 0.50 -0.02 0.00 -0.75 0.00 0.00 39.64 39.67 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2k43 s LEU 124 N -1.82 6.62 -0.06 1.39 1.43 -1.00 -4.55 118.68 120.69 2k43 s LEU 124 Ca 0.35 -2.57 -0.12 0.00 -1.03 0.00 0.00 54.13 50.76 2k43 s LEU 124 Cb 0.20 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 2k43 s LEU 124 CO 0.31 -0.63 0.31 -0.36 0.23 0.00 0.00 176.35 176.21 2k43 s PHE 125 N 0.43 3.65 -0.14 0.29 0.40 0.04 -3.37 117.98 119.27 2k43 s PHE 125 Ca 0.17 0.79 -0.02 0.00 -0.60 0.00 0.00 56.93 57.28 2k43 s PHE 125 Cb -0.12 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.27 2k43 s PHE 125 CO -0.08 0.61 0.01 -1.17 0.70 0.00 0.00 175.22 175.30 2k43 s LEU 126 N -0.83 0.96 -0.41 -0.37 0.20 -0.48 -0.50 118.68 117.25 2k43 s LEU 126 Ca 0.20 -0.49 -0.10 0.00 0.69 0.00 0.00 54.13 54.43 2k43 s LEU 126 Cb -0.15 -0.56 0.07 0.00 -0.43 0.00 0.00 46.19 45.12 2k43 s LEU 126 CO 0.09 -0.24 0.25 -2.16 -0.29 0.00 0.00 176.35 174.00 2k43 s PRO 127 N 1.89 2.68 -0.17 0.98 0.04 -1.26 -2.20 135.00 136.96 2k43 s PRO 127 Ca 0.02 -1.36 -0.01 0.00 0.04 0.00 0.00 61.00 59.68 2k43 s PRO 127 Cb -0.15 -3.79 -0.01 0.00 0.04 0.00 0.00 34.50 30.60 2k43 s PRO 127 CO -0.07 -0.90 -0.11 -0.48 0.04 0.00 0.00 177.00 175.49 2k43 s LEU 128 N 1.47 2.68 0.43 -3.56 2.34 -1.16 -4.78 118.68 116.10 2k43 s LEU 128 Ca 0.03 -0.41 -0.17 0.00 0.06 0.00 0.00 54.13 53.64 2k43 s LEU 128 Cb -0.22 -1.64 -0.09 0.00 -0.56 0.00 0.00 46.19 43.68 2k43 s LEU 128 CO 0.03 0.06 0.89 -2.16 -1.06 0.00 0.00 176.35 174.11 2k43 s PRO 129 N 0.95 4.02 0.38 1.48 0.04 -1.26 0.11 135.00 140.72 2k43 s PRO 129 Ca -0.02 0.87 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 2k43 s PRO 129 Cb -0.15 -2.25 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 2k43 s PRO 129 CO -0.01 -0.06 1.21 0.08 0.04 0.00 0.00 177.00 178.25 2k43 s VAL 130 N -2.30 3.02 0.23 -0.36 1.01 0.13 -4.88 120.40 117.25 2k43 s VAL 130 Ca 0.58 0.91 0.06 0.00 0.00 0.00 0.00 61.98 63.52 2k43 s VAL 130 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2k43 s VAL 130 CO 0.22 0.13 0.24 -0.94 0.00 0.00 0.00 175.10 174.75 2k43 s SER 131 N -0.94 5.80 -0.99 3.32 1.04 -1.26 -0.56 113.70 120.11 2k43 s SER 131 Ca 0.55 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.72 2k43 s SER 131 Cb -0.33 -1.57 0.19 0.00 0.10 0.00 0.00 66.02 64.41 2k43 s SER 131 CO 0.43 -0.02 1.08 -0.44 0.98 0.00 0.00 173.24 175.26 2k43 s SER 132 N -3.72 6.89 0.00 7.02 0.01 -1.26 -4.67 113.70 117.98 2k43 s SER 132 Ca 0.33 -2.73 0.25 0.00 1.31 0.00 0.00 55.95 55.11 2k43 s SER 132 Cb -0.09 -2.31 1.47 0.00 0.21 0.00 0.00 66.02 65.31 2k43 s SER 132 CO 0.26 -0.71 1.84 0.47 0.41 0.00 0.00 173.24 175.51