#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 3.64 0.03 -0.72 -0.14 0.16 -4.90 119.74 117.81 2k43 s LYS 2 Ca 0.00 -0.02 -0.18 0.00 -1.36 0.00 0.00 55.97 54.42 2k43 s LYS 2 Cb 0.00 -3.00 -0.23 0.00 -1.68 0.00 0.00 37.83 32.92 2k43 s LYS 2 CO 0.00 0.58 1.14 0.87 -0.76 0.00 0.00 175.35 177.18 2k43 h LYS 3 N 3.58 0.52 -6.24 1.68 1.79 -1.93 -2.87 116.57 113.11 2k43 h LYS 3 Ca -0.48 -0.55 -0.69 0.00 -2.18 0.00 0.00 60.65 56.75 2k43 h LYS 3 Cb 1.19 0.15 0.06 0.00 -1.58 0.00 0.00 32.23 32.06 2k43 h LYS 3 CO 0.68 1.18 0.29 -0.35 -1.08 0.00 0.00 179.45 180.17 2k43 n PRO 4 N -4.09 0.93 -3.70 3.15 -0.04 -1.26 -4.60 135.00 125.39 2k43 n PRO 4 Ca -0.10 0.33 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 2k43 n PRO 4 Cb 0.74 -1.88 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.04 3.54 0.06 0.54 -0.14 0.41 -0.05 119.74 124.14 2k43 s LYS 5 Ca 0.81 -0.28 -0.03 0.00 -1.36 0.00 0.00 55.97 55.10 2k43 s LYS 5 Cb -0.97 -2.85 -0.05 0.00 -1.68 0.00 0.00 37.83 32.29 2k43 s LYS 5 CO 0.51 0.43 0.26 -1.17 -0.76 0.00 0.00 175.35 174.62 2k43 s LEU 6 N -3.12 4.34 -0.82 3.17 0.20 0.32 -1.87 118.68 120.90 2k43 s LEU 6 Ca 0.39 0.44 -0.17 0.00 0.69 0.00 0.00 54.13 55.49 2k43 s LEU 6 Cb -0.11 -2.92 0.16 0.00 -0.43 0.00 0.00 46.19 42.89 2k43 s LEU 6 CO 0.28 0.18 0.89 -0.22 -0.29 0.00 0.00 176.35 177.19 2k43 s LEU 7 N -2.25 5.84 -0.45 -0.68 1.98 -1.26 -2.96 118.68 118.90 2k43 s LEU 7 Ca 0.33 -2.20 0.04 0.00 -2.89 0.00 0.00 54.13 49.41 2k43 s LEU 7 Cb -0.13 -2.30 0.12 0.00 0.66 0.00 0.00 46.19 44.54 2k43 s LEU 7 CO 0.22 -0.87 0.19 -0.47 -1.89 0.00 0.00 176.35 173.53 2k43 s TYR 8 N 1.62 3.25 -0.55 5.38 6.14 -1.11 -2.31 117.35 129.76 2k43 s TYR 8 Ca 0.22 -3.03 0.05 0.00 0.64 0.00 0.00 57.07 54.95 2k43 s TYR 8 Cb -0.11 -2.76 0.18 0.00 0.42 0.00 0.00 41.96 39.69 2k43 s TYR 8 CO -0.06 -0.81 0.44 0.00 0.64 0.00 0.00 175.55 175.75 2k43 s SER 10 N -0.81 0.17 -0.82 0.00 0.15 -1.26 -3.17 113.70 107.95 2k43 s SER 10 Ca 0.30 -0.56 -0.24 0.00 0.70 0.00 0.00 55.95 56.15 2k43 s SER 10 Cb 0.02 0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 2k43 s SER 10 CO -0.17 -0.56 1.26 0.21 1.20 0.00 0.00 173.24 175.18 2k43 s ASN 11 N -2.28 6.30 0.00 5.45 2.47 -1.26 -4.76 114.94 120.86 2k43 s ASN 11 Ca -0.03 -0.97 0.00 0.00 0.42 0.00 0.00 52.86 52.28 2k43 s ASN 11 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 2k43 s ASN 11 CO -0.06 -1.61 0.00 0.61 -3.72 0.00 0.00 177.10 172.32 2k43 n GLY 12 N 5.82 2.74 2.68 1.21 0.00 -1.26 -5.11 105.19 111.28 2k43 n GLY 12 Ca 0.12 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.63 3.32 -0.02 0.00 -1.26 -5.15 105.19 100.45 2k43 n GLY 13 Ca 0.00 1.23 -0.17 0.00 0.00 0.00 0.00 46.02 47.09 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 0.95 1.51 -0.06 1.61 3.76 -1.26 -4.85 115.29 116.95 2k43 s HIS 14 Ca 0.24 -0.93 0.01 0.00 -0.15 0.00 0.00 55.06 54.23 2k43 s HIS 14 Cb 0.12 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.96 2k43 s HIS 14 CO -0.10 -0.06 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.60 2k43 s PHE 15 N -3.45 1.01 -0.19 1.40 0.08 0.41 -4.65 117.98 112.58 2k43 s PHE 15 Ca 0.28 -0.35 -0.20 0.00 0.12 0.00 0.00 56.93 56.78 2k43 s PHE 15 Cb 0.06 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.63 2k43 s PHE 15 CO 0.08 -0.27 0.59 -1.17 -0.10 0.00 0.00 175.22 174.35 2k43 s LEU 16 N 1.07 4.15 0.12 -0.37 0.20 -0.98 0.49 118.68 123.37 2k43 s LEU 16 Ca -0.08 0.79 0.06 0.00 0.69 0.00 0.00 54.13 55.59 2k43 s LEU 16 Cb -0.14 -2.83 -0.04 0.00 -0.43 0.00 0.00 46.19 42.75 2k43 s LEU 16 CO -0.01 -0.23 -0.14 0.00 -0.29 0.00 0.00 176.35 175.69 2k43 s ARG 17 N 1.75 1.03 0.09 1.98 3.03 0.11 -4.56 118.95 122.37 2k43 s ARG 17 Ca 0.27 -1.26 -0.14 0.00 2.03 0.00 0.00 55.73 56.64 2k43 s ARG 17 Cb -0.16 -0.89 -0.06 0.00 -1.03 0.00 0.00 34.95 32.81 2k43 s ARG 17 CO 0.10 0.17 0.48 0.96 -1.13 0.00 0.00 175.30 175.88 2k43 s ILE 18 N -2.21 4.94 -0.02 4.99 -5.25 -1.21 -2.24 121.20 120.20 2k43 s ILE 18 Ca 0.10 0.78 0.08 0.00 -0.99 0.00 0.00 60.65 60.62 2k43 s ILE 18 Cb -0.04 -3.73 -0.02 0.00 2.95 0.00 0.00 42.46 41.62 2k43 s ILE 18 CO 0.03 0.37 -0.25 -0.22 -1.79 0.00 0.00 174.94 173.08 2k43 s LEU 19 N -1.63 2.11 0.00 0.37 2.96 0.57 -4.99 118.68 118.07 2k43 s LEU 19 Ca 0.32 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 2k43 s LEU 19 Cb -0.16 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.18 2k43 s LEU 19 CO 0.17 0.32 0.65 -2.65 -1.32 0.00 0.00 176.35 173.53 2k43 n PRO 20 N 2.42 0.68 0.14 0.98 -0.02 -1.26 -1.12 135.00 136.82 2k43 n PRO 20 Ca -0.16 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.35 2k43 n PRO 20 Cb 0.51 -1.03 0.03 0.00 -0.02 0.00 0.00 33.50 32.99 2k43 n PRO 20 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k43 h ASP 21 N 0.03 0.00 0.00 2.55 1.82 -1.95 -3.47 116.42 115.40 2k43 h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k43 h ASP 21 Cb 0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2k43 h ASP 21 CO 0.00 0.48 0.00 0.61 -1.61 0.00 0.00 179.24 178.72 2k43 n GLY 22 N 1.22 1.98 3.37 -0.78 0.00 -0.28 -5.08 105.19 105.62 2k43 n GLY 22 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 2.34 -0.25 2.61 2.01 -0.99 -3.65 115.64 115.70 2k43 s THR 23 Ca 0.00 -1.14 -0.02 0.00 0.31 0.00 0.00 61.69 60.85 2k43 s THR 23 Cb 0.00 -1.88 0.08 0.00 0.01 0.00 0.00 72.50 70.71 2k43 s THR 23 CO 0.00 0.49 0.06 0.54 -0.69 0.00 0.00 174.62 175.02 2k43 s VAL 24 N -0.73 0.74 0.15 3.82 0.11 -1.15 -0.31 120.40 123.02 2k43 s VAL 24 Ca 0.11 -1.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.20 2k43 s VAL 24 Cb -0.10 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 2k43 s VAL 24 CO 0.01 -0.44 -0.08 1.51 -3.33 0.00 0.00 175.10 172.77 2k43 s ASP 25 N 1.72 1.64 0.27 3.54 1.47 -0.95 -2.62 116.67 121.75 2k43 s ASP 25 Ca 0.04 -1.04 -0.29 0.00 1.18 0.00 0.00 52.55 52.43 2k43 s ASP 25 Cb -0.17 0.02 -0.09 0.00 -0.34 0.00 0.00 42.92 42.33 2k43 s ASP 25 CO -0.17 -0.39 1.08 -0.83 0.68 0.00 0.00 175.17 175.54 2k43 s GLY 26 N -3.16 3.07 0.01 2.12 0.00 -0.78 0.04 107.32 108.62 2k43 s GLY 26 Ca 0.18 0.87 -0.07 0.00 0.00 0.00 0.00 44.72 45.70 2k43 s GLY 26 CO 0.01 1.48 0.13 -1.59 0.00 0.00 0.00 173.10 173.12 2k43 s THR 27 N -1.15 0.09 -0.37 0.90 2.01 0.18 -4.76 115.64 112.55 2k43 s THR 27 Ca 0.44 -0.74 -0.27 0.00 0.31 0.00 0.00 61.69 61.43 2k43 s THR 27 Cb -0.31 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 71.72 2k43 s THR 27 CO 0.40 -0.41 0.97 0.00 -0.69 0.00 0.00 174.62 174.89 2k43 s ARG 28 N -1.55 3.88 0.12 4.92 1.04 -1.26 -0.45 118.95 125.66 2k43 s ARG 28 Ca -0.14 0.67 -0.01 0.00 -1.04 0.00 0.00 55.73 55.22 2k43 s ARG 28 Cb -0.07 -3.80 -0.04 0.00 -2.04 0.00 0.00 34.95 29.01 2k43 s ARG 28 CO 0.01 -0.96 0.05 0.34 -0.04 0.00 0.00 175.30 174.70 2k43 s ASP 29 N 1.87 0.32 -0.03 -2.89 2.15 -1.26 -5.00 116.67 111.83 2k43 s ASP 29 Ca 0.40 -1.19 0.03 0.00 0.43 0.00 0.00 52.55 52.22 2k43 s ASP 29 Cb -0.12 0.29 0.14 0.00 -0.30 0.00 0.00 42.92 42.93 2k43 s ASP 29 CO 0.19 -0.72 0.80 0.54 -0.17 0.00 0.00 175.17 175.81 2k43 n ARG 30 N -0.08 1.61 -3.69 4.34 3.00 -1.26 -4.63 116.66 115.95 2k43 n ARG 30 Ca -0.06 -0.54 -0.25 0.00 -0.01 0.00 0.00 57.85 56.99 2k43 n ARG 30 Cb 0.63 -1.52 0.06 0.00 0.00 0.00 0.00 32.46 31.63 2k43 n ARG 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k43 n SER 31 N 0.06 -5.11 -1.99 0.55 2.88 -1.26 -4.93 113.62 103.82 2k43 n SER 31 Ca 0.05 -0.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 2k43 n SER 31 Cb 0.35 -4.63 0.00 0.00 -0.75 0.00 0.00 64.21 59.18 2k43 n SER 31 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k43 n ASP 32 N -2.98 0.00 -0.83 -3.46 -0.08 -1.26 -4.71 116.55 103.23 2k43 n ASP 32 Ca -0.03 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.27 2k43 n ASP 32 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 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 -0.98 0.31 0.00 -0.67 6.02 -1.26 -0.78 117.38 120.01 2k43 n GLN 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k43 n GLN 33 Cb 0.00 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 0.68 0.00 1.39 1.08 8.25 -1.26 -4.62 115.22 120.73 2k43 n HIS 34 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 2k43 n HIS 34 Cb 0.13 0.00 0.49 0.00 1.12 0.00 0.00 29.99 31.73 2k43 n HIS 34 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2k43 n ILE 35 N -0.90 0.00 -3.02 1.59 -0.00 0.04 -3.32 119.36 113.75 2k43 n ILE 35 Ca 0.00 -0.16 -0.44 0.00 -0.00 0.00 0.00 62.75 62.15 2k43 n ILE 35 Cb 0.08 0.33 -0.04 0.00 -0.00 0.00 0.00 39.64 40.01 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k43 s GLN 36 N -2.30 3.16 -0.09 0.38 -2.07 -1.24 -4.28 119.66 113.22 2k43 s GLN 36 Ca 0.31 -1.29 0.02 0.00 -1.82 0.00 0.00 55.36 52.57 2k43 s GLN 36 Cb 0.20 -4.35 -0.02 0.00 -1.09 0.00 0.00 33.01 27.75 2k43 s GLN 36 CO 0.44 -1.64 -0.14 -0.48 -1.32 0.00 0.00 175.29 172.15 2k43 s LEU 37 N 2.97 2.70 -0.50 2.60 2.34 -0.78 -2.55 118.68 125.47 2k43 s LEU 37 Ca 0.18 -0.28 -0.21 0.00 0.06 0.00 0.00 54.13 53.88 2k43 s LEU 37 Cb -0.19 -1.58 0.04 0.00 -0.56 0.00 0.00 46.19 43.91 2k43 s LEU 37 CO 0.05 0.25 0.71 -1.58 -1.06 0.00 0.00 176.35 174.71 2k43 s GLN 38 N -0.14 3.22 -0.49 1.48 0.74 0.13 0.16 119.66 124.77 2k43 s GLN 38 Ca -0.01 -0.57 -0.04 0.00 0.05 0.00 0.00 55.36 54.78 2k43 s GLN 38 Cb -0.14 -4.04 0.13 0.00 1.10 0.00 0.00 33.01 30.06 2k43 s GLN 38 CO 0.03 -1.22 0.31 -0.51 -0.55 0.00 0.00 175.29 173.35 2k43 s LEU 39 N 3.02 5.38 0.29 3.68 1.43 -1.26 -2.16 118.68 129.06 2k43 s LEU 39 Ca 0.21 -2.23 0.09 0.00 -1.03 0.00 0.00 54.13 51.17 2k43 s LEU 39 Cb -0.16 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2k43 s LEU 39 CO 0.16 -0.53 0.08 -0.44 0.23 0.00 0.00 176.35 175.85 2k43 s SER 40 N 1.72 4.77 -0.34 2.29 0.01 -1.11 -4.87 113.70 116.17 2k43 s SER 40 Ca 0.10 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 2k43 s SER 40 Cb -0.23 -0.91 0.08 0.00 0.21 0.00 0.00 66.02 65.18 2k43 s SER 40 CO -0.03 -0.10 0.07 0.00 0.41 0.00 0.00 173.24 173.58 2k43 s ALA 41 N -2.32 2.93 -0.24 1.44 0.00 -1.26 -0.51 121.76 121.80 2k43 s ALA 41 Ca 0.34 -2.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.10 2k43 s ALA 41 Cb -0.05 -2.09 -0.13 0.00 0.00 0.00 0.00 23.12 20.85 2k43 s ALA 41 CO 0.22 -1.51 -0.25 -1.91 0.00 0.00 0.00 175.76 172.30 2k43 n GLU 42 N 4.55 0.54 -3.62 0.00 4.07 -0.93 -4.93 120.64 120.32 2k43 n GLU 42 Ca -0.07 0.18 -0.20 0.00 -0.06 0.00 0.00 57.16 57.01 2k43 n GLU 42 Cb 0.42 -1.41 -0.02 0.00 -0.06 0.00 0.00 31.44 30.37 2k43 n GLU 42 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2k43 s SER 43 N -6.67 5.46 -0.10 4.31 0.01 -1.25 -5.01 113.70 110.45 2k43 s SER 43 Ca -0.32 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 56.20 2k43 s SER 43 Cb 0.10 -0.96 -0.07 0.00 0.21 0.00 0.00 66.02 65.31 2k43 s SER 43 CO 0.48 -0.45 2.03 -0.69 0.41 0.00 0.00 173.24 175.02 2k43 s VAL 44 N -2.30 3.10 0.00 3.43 1.01 -1.26 -1.53 120.40 122.85 2k43 s VAL 44 Ca 0.44 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2k43 s VAL 44 Cb -0.07 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2k43 s VAL 44 CO 0.28 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2k43 n GLY 45 N 5.05 2.95 3.74 4.51 0.00 -1.26 -5.00 105.19 115.17 2k43 n GLY 45 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.41 4.35 -0.03 1.61 0.41 -0.58 0.77 118.70 124.82 2k43 s GLU 46 Ca 0.00 0.65 0.03 0.00 -0.41 0.00 0.00 54.97 55.24 2k43 s GLU 46 Cb 0.00 -3.40 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 2k43 s GLU 46 CO 0.00 0.22 -0.11 0.14 -0.49 0.00 0.00 175.26 175.02 2k43 s VAL 47 N 0.36 3.34 -0.14 2.63 -7.23 -0.32 -2.18 120.40 116.86 2k43 s VAL 47 Ca 0.31 -0.71 0.02 0.00 -1.81 0.00 0.00 61.98 59.79 2k43 s VAL 47 Cb -0.17 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2k43 s VAL 47 CO 0.15 0.52 -0.22 -0.47 -0.31 0.00 0.00 175.10 174.77 2k43 s TYR 48 N -0.83 2.66 -0.43 2.82 5.04 0.33 -2.88 117.35 124.05 2k43 s TYR 48 Ca 0.13 -1.35 -0.08 0.00 -2.44 0.00 0.00 57.07 53.34 2k43 s TYR 48 Cb -0.11 -1.81 0.10 0.00 0.35 0.00 0.00 41.96 40.49 2k43 s TYR 48 CO 0.03 -0.62 0.27 0.42 -1.34 0.00 0.00 175.55 174.31 2k43 s ILE 49 N 0.83 4.00 0.18 3.14 1.01 -1.26 -2.75 121.20 126.36 2k43 s ILE 49 Ca -0.07 -1.66 0.10 0.00 0.00 0.00 0.00 60.65 59.03 2k43 s ILE 49 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2k43 s ILE 49 CO -0.02 -0.62 -0.21 -1.59 0.00 0.00 0.00 174.94 172.49 2k43 s LYS 50 N 1.34 1.42 0.17 2.79 -2.85 -0.92 -4.70 119.74 116.99 2k43 s LYS 50 Ca 0.05 -1.48 -0.30 0.00 -1.00 0.00 0.00 55.97 53.23 2k43 s LYS 50 Cb -0.24 -1.62 -0.07 0.00 -2.06 0.00 0.00 37.83 33.84 2k43 s LYS 50 CO -0.00 0.34 0.97 -1.12 0.10 0.00 0.00 175.35 175.64 2k43 s SER 51 N -2.70 7.53 0.00 0.03 0.01 -1.25 0.21 113.70 117.53 2k43 s SER 51 Ca 0.19 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.34 2k43 s SER 51 Cb -0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2k43 s SER 51 CO 0.09 0.00 0.00 0.41 0.41 0.00 0.00 173.24 174.15 2k43 n THR 52 N 2.24 0.00 -0.08 1.44 -1.04 -1.19 -4.69 114.28 110.96 2k43 n THR 52 Ca 0.01 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 2k43 n THR 52 Cb 0.48 -0.08 -0.12 0.00 -1.82 0.00 0.00 70.33 68.79 2k43 n THR 52 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2k43 h GLU 53 N 0.00 0.07 -0.22 -2.82 3.07 -1.96 -3.42 114.58 109.31 2k43 h GLU 53 Ca 0.00 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 2k43 h GLU 53 Cb 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 2k43 h GLU 53 CO 0.00 1.06 -0.04 0.25 -1.40 0.00 0.00 179.01 178.87 2k43 n THR 54 N -4.19 2.28 0.10 1.13 -2.24 -1.26 -4.92 114.28 105.17 2k43 n THR 54 Ca -0.32 -2.26 0.09 0.00 -2.27 0.00 0.00 64.05 59.28 2k43 n THR 54 Cb 0.78 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.17 0.00 0.00 3.38 0.00 -1.73 -3.40 103.07 102.48 2k43 h GLY 55 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2k43 h GLY 55 CO 0.21 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.69 2k43 n GLN 56 N -2.78 0.00 -3.02 4.80 6.02 -1.24 -4.13 117.38 117.02 2k43 n GLN 56 Ca -0.01 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.54 2k43 n GLN 56 Cb 0.61 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.88 2k43 n GLN 56 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2k43 n TYR 57 N -1.30 3.28 -2.43 1.08 9.36 -1.13 -3.53 117.16 122.49 2k43 n TYR 57 Ca 0.00 -3.00 -0.42 0.00 3.32 0.00 0.00 57.90 57.80 2k43 n TYR 57 Cb 0.00 -1.50 -0.02 0.00 -0.63 0.00 0.00 39.34 37.19 2k43 n TYR 57 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2k43 s LEU 58 N -1.90 3.47 -0.23 2.98 0.20 -1.23 -2.95 118.68 119.03 2k43 s LEU 58 Ca 0.32 0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.53 2k43 s LEU 58 Cb 0.01 -3.21 0.03 0.00 -0.43 0.00 0.00 46.19 42.59 2k43 s LEU 58 CO 0.04 -1.58 -0.12 0.00 -0.29 0.00 0.00 176.35 174.40 2k43 s ALA 59 N 5.62 2.55 -0.21 5.97 0.00 -1.02 -1.67 121.76 133.00 2k43 s ALA 59 Ca 0.52 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 2k43 s ALA 59 Cb -0.10 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 2k43 s ALA 59 CO 0.27 -0.75 0.91 0.00 0.00 0.00 0.00 175.76 176.20 2k43 s MET 60 N 1.26 4.25 -0.71 0.00 0.23 -1.21 -0.41 119.30 122.71 2k43 s MET 60 Ca -0.00 1.13 -0.15 0.00 -1.03 0.00 0.00 55.69 55.64 2k43 s MET 60 Cb -0.16 -3.62 0.18 0.00 -1.53 0.00 0.00 34.83 29.70 2k43 s MET 60 CO -0.07 -0.50 0.67 0.34 -2.03 0.00 0.00 175.02 173.43 2k43 s ASP 61 N 1.23 6.53 -0.55 -1.18 2.15 -0.34 -4.36 116.67 120.16 2k43 s ASP 61 Ca 0.40 -2.31 0.00 0.00 0.43 0.00 0.00 52.55 51.07 2k43 s ASP 61 Cb -0.16 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2k43 s ASP 61 CO 0.09 -0.70 0.00 0.35 -0.17 0.00 0.00 175.17 174.73 2k43 n THR 62 N 4.52 0.00 -0.99 1.71 -2.24 -1.26 -1.96 114.28 114.06 2k43 n THR 62 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2k43 n THR 62 Cb 0.44 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 2k43 n THR 62 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k43 n ASP 63 N -0.03 -1.99 -0.03 3.42 2.03 -1.26 -4.82 116.55 113.87 2k43 n ASP 63 Ca -0.05 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.13 2k43 n ASP 63 Cb 0.38 -0.49 -0.14 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.47 -0.86 3.29 0.27 0.00 -0.83 -4.07 105.19 100.53 2k43 n GLY 64 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -6.28 1.51 -0.01 0.99 1.43 -1.20 0.65 118.68 115.76 2k43 s LEU 65 Ca -0.11 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 51.60 2k43 s LEU 65 Cb 0.07 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.42 2k43 s LEU 65 CO 0.80 -0.77 -0.02 -1.48 0.23 0.00 0.00 176.35 175.11 2k43 s LEU 66 N -3.28 1.81 0.35 1.79 2.34 -1.26 -1.19 118.68 119.24 2k43 s LEU 66 Ca 0.38 -0.05 0.08 0.00 0.06 0.00 0.00 54.13 54.60 2k43 s LEU 66 Cb 0.07 -0.17 -0.04 0.00 -0.56 0.00 0.00 46.19 45.50 2k43 s LEU 66 CO 0.13 0.00 0.19 -0.31 -1.06 0.00 0.00 176.35 175.31 2k43 s TYR 67 N 0.19 2.74 -0.29 3.48 1.51 0.45 -4.78 117.35 120.65 2k43 s TYR 67 Ca -0.02 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.50 2k43 s TYR 67 Cb -0.04 -1.74 0.13 0.00 -0.11 0.00 0.00 41.96 40.20 2k43 s TYR 67 CO -0.00 0.26 0.86 0.20 -1.11 0.00 0.00 175.55 175.75 2k43 s GLY 68 N -3.90 -0.32 0.38 0.71 0.00 -1.15 -2.43 107.32 100.60 2k43 s GLY 68 Ca 0.39 2.82 0.00 0.00 0.00 0.00 0.00 44.72 47.93 2k43 s GLY 68 CO 0.24 2.82 0.00 -1.26 0.00 0.00 0.00 173.10 174.90 2k43 n SER 69 N 4.51 -2.00 -0.09 1.64 2.88 -1.18 -2.62 113.62 116.76 2k43 n SER 69 Ca -0.15 0.69 -0.23 0.00 -1.33 0.00 0.00 58.87 57.85 2k43 n SER 69 Cb 0.55 2.00 -0.12 0.00 -0.75 0.00 0.00 64.21 65.89 2k43 n SER 69 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2k43 n GLN 70 N -3.49 0.60 -4.20 -1.46 -0.06 -1.26 -2.97 117.38 104.54 2k43 n GLN 70 Ca 0.00 0.48 -0.12 0.00 -2.00 0.00 0.00 57.00 55.36 2k43 n GLN 70 Cb 0.00 -1.70 -0.10 0.00 -4.06 0.00 0.00 30.24 24.38 2k43 n GLN 70 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2k43 s THR 71 N -2.42 0.79 -0.39 1.69 2.01 -1.23 -4.53 115.64 111.56 2k43 s THR 71 Ca -0.29 -1.97 -0.05 0.00 0.31 0.00 0.00 61.69 59.68 2k43 s THR 71 Cb 0.07 -1.81 0.09 0.00 0.01 0.00 0.00 72.50 70.86 2k43 s THR 71 CO 0.60 -0.76 0.19 -2.16 -0.69 0.00 0.00 174.62 171.80 2k43 s PRO 72 N -3.83 2.30 0.39 4.92 0.04 -1.24 -2.86 135.00 134.72 2k43 s PRO 72 Ca 0.16 -1.59 0.01 0.00 0.04 0.00 0.00 61.00 59.61 2k43 s PRO 72 Cb 0.05 -3.59 0.08 0.00 0.04 0.00 0.00 34.50 31.08 2k43 s PRO 72 CO -0.02 -0.95 0.53 -1.71 0.04 0.00 0.00 177.00 174.90 2k43 n ASN 73 N 4.72 0.80 -4.29 6.66 5.15 -1.26 -4.98 115.26 122.06 2k43 n ASN 73 Ca -0.07 -1.66 -0.45 0.00 -0.60 0.00 0.00 54.58 51.80 2k43 n ASN 73 Cb 0.42 -0.34 -0.06 0.00 -0.53 0.00 0.00 39.78 39.28 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k43 s GLU 74 N -3.82 2.91 0.00 1.20 2.02 -1.26 -3.80 118.70 115.96 2k43 s GLU 74 Ca 0.36 -1.78 0.00 0.00 0.02 0.00 0.00 54.97 53.57 2k43 s GLU 74 Cb -0.02 -4.22 0.00 0.00 0.10 0.00 0.00 34.13 29.99 2k43 s GLU 74 CO 0.24 -1.30 0.00 0.39 0.02 0.00 0.00 175.26 174.61 2k43 n GLU 75 N 5.08 0.87 -0.05 1.61 1.02 -1.26 -4.84 120.64 123.07 2k43 n GLU 75 Ca -0.11 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.07 2k43 n GLU 75 Cb 0.41 -0.58 0.15 0.00 -0.02 0.00 0.00 31.44 31.39 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 -1.13 4.19 0.16 0.00 2.01 -1.26 -4.27 118.68 118.39 2k43 s LEU 77 Ca 0.12 1.65 0.03 0.00 0.01 0.00 0.00 54.13 55.94 2k43 s LEU 77 Cb 0.06 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.67 2k43 s LEU 77 CO 0.09 -0.68 -0.05 -0.36 1.01 0.00 0.00 176.35 176.36 2k43 s PHE 78 N 3.03 1.26 -0.13 0.29 0.08 -1.14 -3.70 117.98 117.67 2k43 s PHE 78 Ca 0.52 -0.88 -0.08 0.00 0.12 0.00 0.00 56.93 56.61 2k43 s PHE 78 Cb -0.21 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 2k43 s PHE 78 CO 0.15 -0.05 0.15 -1.17 -0.10 0.00 0.00 175.22 174.20 2k43 s LEU 79 N -3.18 4.36 -0.11 -0.37 2.96 -0.72 -1.18 118.68 120.44 2k43 s LEU 79 Ca 0.20 0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 54.41 2k43 s LEU 79 Cb 0.04 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 2k43 s LEU 79 CO 0.02 0.35 0.38 -0.70 -1.32 0.00 0.00 176.35 175.08 2k43 s GLU 80 N -0.73 4.19 -0.24 1.98 2.56 0.23 -0.18 118.70 126.52 2k43 s GLU 80 Ca 0.14 0.27 0.01 0.00 0.00 0.00 0.00 54.97 55.39 2k43 s GLU 80 Cb -0.12 -3.38 0.06 0.00 2.00 0.00 0.00 34.13 32.69 2k43 s GLU 80 CO 0.03 0.32 -0.05 0.50 -0.56 0.00 0.00 175.26 175.50 2k43 s ARG 81 N 0.17 1.64 -0.27 4.30 3.52 -0.20 -4.90 118.95 123.21 2k43 s ARG 81 Ca 0.21 -1.04 -0.18 0.00 -0.13 0.00 0.00 55.73 54.60 2k43 s ARG 81 Cb -0.14 -2.61 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 2k43 s ARG 81 CO 0.08 -0.61 0.52 -0.51 -0.81 0.00 0.00 175.30 173.97 2k43 s LEU 82 N 1.37 4.06 0.50 -0.88 1.43 -1.26 -0.52 118.68 123.39 2k43 s LEU 82 Ca -0.05 0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2k43 s LEU 82 Cb -0.19 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 2k43 s LEU 82 CO -0.06 -0.30 0.87 -0.70 0.23 0.00 0.00 176.35 176.38 2k43 s GLU 83 N 2.32 3.65 -0.76 1.70 2.56 -0.96 -4.98 118.70 122.23 2k43 s GLU 83 Ca 0.21 0.48 -0.20 0.00 0.00 0.00 0.00 54.97 55.46 2k43 s GLU 83 Cb -0.16 -2.28 0.10 0.00 2.00 0.00 0.00 34.13 33.80 2k43 s GLU 83 CO 0.09 -0.27 0.99 -1.83 -0.56 0.00 0.00 175.26 173.69 2k43 s GLU 84 N -4.59 3.31 -1.38 4.30 -1.05 -1.26 -4.09 118.70 113.94 2k43 s GLU 84 Ca 0.51 -1.30 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 2k43 s GLU 84 Cb -0.10 -4.52 0.00 0.00 -0.44 0.00 0.00 34.13 29.06 2k43 s GLU 84 CO 0.43 -1.76 0.00 0.09 0.95 0.00 0.00 175.26 174.97 2k43 n ASN 85 N 7.00 -3.93 -0.03 0.83 3.02 -1.26 -4.73 115.26 116.16 2k43 n ASN 85 Ca 0.07 0.27 -0.08 0.00 -0.03 0.00 0.00 54.58 54.82 2k43 n ASN 85 Cb 0.47 -3.51 -0.03 0.00 -0.61 0.00 0.00 39.78 36.10 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 -2.55 0.00 -3.66 3.10 8.25 -1.26 -5.13 115.22 113.98 2k43 n HIS 86 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 2k43 n HIS 86 Cb 0.53 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.33 -0.25 -0.04 4.41 2.02 -1.26 -5.00 117.35 114.90 2k43 s TYR 87 Ca -0.14 -0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2k43 s TYR 87 Cb 0.04 0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 42.04 2k43 s TYR 87 CO 0.20 -0.93 0.04 -0.80 -1.57 0.00 0.00 175.55 172.48 2k43 s ASN 88 N -2.84 5.43 0.15 2.29 -0.87 0.03 -2.25 114.94 116.88 2k43 s ASN 88 Ca 0.07 0.13 0.09 0.00 -1.57 0.00 0.00 52.86 51.58 2k43 s ASN 88 Cb -0.02 -1.53 -0.04 0.00 -0.02 0.00 0.00 41.25 39.64 2k43 s ASN 88 CO -0.05 0.32 -0.19 -0.89 -2.57 0.00 0.00 177.10 173.72 2k43 s THR 89 N -1.04 1.85 0.00 1.60 2.01 0.32 -2.08 115.64 118.30 2k43 s THR 89 Ca 0.18 -1.84 0.01 0.00 0.31 0.00 0.00 61.69 60.35 2k43 s THR 89 Cb -0.12 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 2k43 s THR 89 CO 0.08 -0.24 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.43 2k43 s TYR 90 N -1.80 0.31 -0.09 4.92 2.02 -1.26 -1.04 117.35 120.40 2k43 s TYR 90 Ca 0.14 -0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.69 2k43 s TYR 90 Cb -0.07 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.25 2k43 s TYR 90 CO 0.06 -0.02 0.14 0.42 -1.57 0.00 0.00 175.55 174.58 2k43 s ILE 91 N -0.19 5.40 -0.78 2.71 -1.09 0.75 -0.81 121.20 127.18 2k43 s ILE 91 Ca 0.00 0.09 -0.22 0.00 -2.23 0.00 0.00 60.65 58.30 2k43 s ILE 91 Cb -0.02 -3.38 0.08 0.00 -1.58 0.00 0.00 42.46 37.56 2k43 s ILE 91 CO -0.00 0.56 1.09 -0.94 -1.23 0.00 0.00 174.94 174.41 2k43 s SER 92 N -1.21 6.34 0.00 3.58 1.04 -1.10 -1.76 113.70 120.59 2k43 s SER 92 Ca 0.17 -1.31 0.11 0.00 0.48 0.00 0.00 55.95 55.41 2k43 s SER 92 Cb -0.12 -2.44 0.55 0.00 0.10 0.00 0.00 66.02 64.11 2k43 s SER 92 CO 0.07 -1.37 1.28 1.17 0.98 0.00 0.00 173.24 175.37 2k43 n LYS 93 N 7.61 0.13 0.00 4.02 4.81 -1.24 -0.55 118.16 132.94 2k43 n LYS 93 Ca 0.09 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2k43 n LYS 93 Cb 0.47 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.02 2k43 n LYS 93 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k43 n LYS 94 N -1.33 0.00 -1.26 1.64 3.00 -1.26 -3.52 118.16 115.43 2k43 n LYS 94 Ca 0.05 0.46 -0.31 0.00 -0.00 0.00 0.00 58.31 58.50 2k43 n LYS 94 Cb 0.10 -1.45 0.09 0.00 0.00 0.00 0.00 35.03 33.76 2k43 n LYS 94 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2k43 n HIS 95 N -1.87 2.99 -0.34 5.64 8.25 -0.57 -4.58 115.22 124.74 2k43 n HIS 95 Ca 0.00 -2.75 0.20 0.00 -0.26 0.00 0.00 57.72 54.92 2k43 n HIS 95 Cb 0.00 -1.33 0.43 0.00 1.12 0.00 0.00 29.99 30.21 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 1.82 1.86 -0.55 -1.41 0.00 -0.86 -0.39 119.26 119.72 2k43 h ALA 96 Ca 0.57 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.71 2k43 h ALA 96 Cb 1.07 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2k43 h ALA 96 CO 1.43 -0.41 0.37 1.05 0.00 0.00 0.00 179.25 181.68 2k43 h GLU 97 N 0.46 0.45 -0.04 0.00 4.11 -1.86 -1.06 114.58 116.63 2k43 h GLU 97 Ca 0.69 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 60.09 2k43 h GLU 97 Cb 1.44 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2k43 h GLU 97 CO -0.54 0.30 0.00 1.63 0.07 0.00 0.00 179.01 180.47 2k43 n LYS 98 N -4.47 1.61 -0.93 1.06 5.02 -0.17 -4.90 118.16 115.39 2k43 n LYS 98 Ca 0.08 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 2k43 n LYS 98 Cb 0.28 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.09 -2.78 -4.72 4.39 5.03 -0.40 -5.01 115.26 111.86 2k43 n ASN 99 Ca 0.19 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.22 2k43 n ASN 99 Cb 0.33 -0.46 -0.03 0.00 -1.02 0.00 0.00 39.78 38.59 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2k43 s TRP 100 N -2.00 3.55 -0.02 3.10 0.52 -1.19 -4.86 118.94 118.05 2k43 s TRP 100 Ca 0.00 1.50 -0.02 0.00 0.02 0.00 0.00 56.10 57.60 2k43 s TRP 100 Cb 0.00 -3.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 2k43 s TRP 100 CO 0.00 -0.69 0.14 -0.06 0.02 0.00 0.00 176.95 176.36 2k43 s PHE 101 N 0.78 3.46 -0.34 -1.98 0.40 -1.00 -2.71 117.98 116.59 2k43 s PHE 101 Ca 0.54 0.32 -0.21 0.00 -0.60 0.00 0.00 56.93 56.99 2k43 s PHE 101 Cb -0.26 -1.81 -0.00 0.00 0.51 0.00 0.00 43.02 41.46 2k43 s PHE 101 CO 0.30 0.62 0.65 0.54 0.70 0.00 0.00 175.22 178.03 2k43 s VAL 102 N -1.25 4.89 0.04 -0.44 0.11 0.01 -4.39 120.40 119.37 2k43 s VAL 102 Ca 0.24 0.70 0.02 0.00 -2.93 0.00 0.00 61.98 60.01 2k43 s VAL 102 Cb -0.12 -4.07 -0.03 0.00 -1.53 0.00 0.00 36.38 30.63 2k43 s VAL 102 CO 0.16 -0.28 -0.07 -0.83 -3.33 0.00 0.00 175.10 170.75 2k43 s GLY 103 N 1.75 0.49 0.02 6.54 0.00 -1.26 -4.46 107.32 110.40 2k43 s GLY 103 Ca 0.25 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.20 2k43 s GLY 103 CO 0.14 -0.86 -0.09 0.48 0.00 0.00 0.00 173.10 172.77 2k43 s LEU 104 N -1.72 2.10 -0.51 0.66 0.05 -0.99 -2.91 118.68 115.36 2k43 s LEU 104 Ca -0.09 -0.30 -0.18 0.00 0.05 0.00 0.00 54.13 53.61 2k43 s LEU 104 Cb -0.08 -0.40 0.07 0.00 -2.05 0.00 0.00 46.19 43.73 2k43 s LEU 104 CO -0.00 0.02 0.60 -0.75 -0.55 0.00 0.00 176.35 175.66 2k43 s LYS 105 N -0.70 3.09 0.47 1.48 2.20 0.26 -4.51 119.74 122.02 2k43 s LYS 105 Ca -0.00 -1.04 0.25 0.00 -0.36 0.00 0.00 55.97 54.81 2k43 s LYS 105 Cb -0.06 -4.13 1.12 0.00 -1.51 0.00 0.00 37.83 33.26 2k43 s LYS 105 CO 0.00 -1.24 1.92 1.57 -0.36 0.00 0.00 175.35 177.25 2k43 h LYS 106 N 8.98 0.00 0.00 4.03 -0.00 -1.72 0.94 116.57 128.80 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 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 2k43 h LYS 106 CO 0.97 0.20 0.00 -1.71 -0.00 0.00 0.00 179.45 178.91 2k43 n ASN 107 N -3.51 0.29 0.00 7.07 2.85 -1.26 -2.53 115.26 118.17 2k43 n ASN 107 Ca -0.01 0.55 0.00 0.00 -0.11 0.00 0.00 54.58 55.01 2k43 n ASN 107 Cb 0.36 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.76 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k43 n GLY 108 N 0.66 0.34 3.82 8.20 0.00 0.07 -4.83 105.19 113.46 2k43 n GLY 108 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 2k43 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k43 s SER 109 N 0.98 -0.20 0.27 1.61 0.15 0.30 -1.87 113.70 114.95 2k43 s SER 109 Ca 0.00 -0.60 -0.29 0.00 0.70 0.00 0.00 55.95 55.76 2k43 s SER 109 Cb 0.00 0.66 -0.09 0.00 -1.71 0.00 0.00 66.02 64.87 2k43 s SER 109 CO 0.00 -1.23 1.00 0.00 1.20 0.00 0.00 173.24 174.21 2k43 s LYS 111 N -1.44 1.88 0.33 0.00 3.01 -1.15 -4.74 119.74 117.65 2k43 s LYS 111 Ca 0.44 -1.20 0.04 0.00 -1.01 0.00 0.00 55.97 54.25 2k43 s LYS 111 Cb -0.27 -2.14 -0.02 0.00 -1.01 0.00 0.00 37.83 34.40 2k43 s LYS 111 CO 0.34 0.47 0.49 1.03 0.51 0.00 0.00 175.35 178.19 2k43 s ARG 112 N -2.35 3.25 0.25 1.68 0.52 -1.26 -4.44 118.95 116.60 2k43 s ARG 112 Ca 0.20 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2k43 s ARG 112 Cb -0.10 -2.77 0.31 0.00 0.52 0.00 0.00 34.95 32.91 2k43 s ARG 112 CO 0.12 0.11 1.69 0.78 0.02 0.00 0.00 175.30 178.02 2k43 h GLY 113 N 0.86 0.69 2.00 -3.53 0.00 0.07 -2.62 103.07 100.54 2k43 h GLY 113 Ca -0.48 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.28 2k43 h GLY 113 CO 0.57 0.52 0.00 -1.55 0.00 0.00 0.00 176.54 176.08 2k43 n PRO 114 N -4.13 0.03 -0.00 4.80 -0.04 -1.26 -1.87 135.00 132.53 2k43 n PRO 114 Ca 0.00 0.52 0.01 0.00 -0.04 0.00 0.00 63.50 63.99 2k43 n PRO 114 Cb 0.40 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2k43 n PRO 114 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k43 n ARG 115 N -1.66 5.93 -3.09 0.54 3.00 -1.01 -4.97 116.66 115.40 2k43 n ARG 115 Ca -0.00 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2k43 n ARG 115 Cb 0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 32.46 31.79 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 -1.25 4.87 -5.00 5.15 -4.23 -0.78 -3.27 115.64 111.12 2k43 s THR 116 Ca 0.01 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2k43 s THR 116 Cb 0.02 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.75 2k43 s THR 116 CO 0.08 -0.35 0.00 0.00 -0.54 0.00 0.00 174.62 173.81 2k43 n HIS 117 N 6.11 0.00 -2.60 3.99 1.44 -1.26 -2.37 115.22 120.52 2k43 n HIS 117 Ca -0.01 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.27 2k43 n HIS 117 Cb 0.48 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.59 2k43 n HIS 117 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 2k43 n TYR 118 N 5.36 4.59 -0.04 -1.40 4.19 -1.26 -3.67 117.16 124.93 2k43 n TYR 118 Ca 0.00 -2.99 -0.08 0.00 3.31 0.00 0.00 57.90 58.15 2k43 n TYR 118 Cb 0.00 -2.49 -0.03 0.00 0.49 0.00 0.00 39.34 37.31 2k43 n TYR 118 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k43 n GLY 119 N 4.85 -0.13 3.29 2.98 0.00 -1.24 -5.10 105.19 109.85 2k43 n GLY 119 Ca 0.46 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.16 1.22 0.00 1.61 -1.52 -1.20 -5.03 119.66 112.58 2k43 s GLN 120 Ca -0.11 -1.59 0.18 0.00 -1.95 0.00 0.00 55.36 51.88 2k43 s GLN 120 Cb 0.04 -0.52 0.55 0.00 -0.22 0.00 0.00 33.01 32.86 2k43 s GLN 120 CO 0.16 -0.07 1.43 1.63 -0.25 0.00 0.00 175.29 178.19 2k43 n LYS 121 N -0.33 1.96 0.27 2.91 4.76 -1.26 -3.33 118.16 123.14 2k43 n LYS 121 Ca -0.06 -1.46 0.18 0.00 -2.87 0.00 0.00 58.31 54.09 2k43 n LYS 121 Cb 0.63 -1.39 0.81 0.00 -1.84 0.00 0.00 35.03 33.24 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k43 h ALA 122 N 4.02 1.00 -0.16 7.82 0.00 -1.80 -2.01 119.26 128.13 2k43 h ALA 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k43 h ALA 122 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k43 h ALA 122 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 179.25 180.76 2k43 n ILE 123 N -2.96 0.20 -3.45 0.00 3.06 -1.21 -2.35 119.36 112.65 2k43 n ILE 123 Ca -0.00 -0.36 -0.43 0.00 -2.50 0.00 0.00 62.75 59.46 2k43 n ILE 123 Cb 0.22 0.43 -0.04 0.00 0.54 0.00 0.00 39.64 40.80 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2k43 s LEU 124 N -1.62 6.23 0.09 9.51 2.96 -0.75 -4.68 118.68 130.41 2k43 s LEU 124 Ca 0.33 -3.00 -0.13 0.00 -0.22 0.00 0.00 54.13 51.12 2k43 s LEU 124 Cb 0.18 -2.10 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 2k43 s LEU 124 CO 0.27 -0.44 0.46 -0.36 -1.32 0.00 0.00 176.35 174.97 2k43 s PHE 125 N -0.30 3.63 -0.11 5.38 0.40 -0.88 -4.07 117.98 122.03 2k43 s PHE 125 Ca 0.21 0.94 -0.02 0.00 -0.60 0.00 0.00 56.93 57.47 2k43 s PHE 125 Cb -0.12 -2.27 0.04 0.00 0.51 0.00 0.00 43.02 41.17 2k43 s PHE 125 CO -0.08 0.52 -0.00 -1.17 0.70 0.00 0.00 175.22 175.19 2k43 s LEU 126 N -1.73 0.81 -0.41 -0.37 2.96 -0.41 -0.79 118.68 118.74 2k43 s LEU 126 Ca 0.33 -0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 53.83 2k43 s LEU 126 Cb -0.15 -0.53 0.05 0.00 0.50 0.00 0.00 46.19 46.06 2k43 s LEU 126 CO 0.18 -0.21 0.27 -2.16 -1.32 0.00 0.00 176.35 173.11 2k43 s PRO 127 N 1.91 2.81 -0.27 0.98 0.04 -1.26 -2.76 135.00 136.45 2k43 s PRO 127 Ca 0.04 -1.24 -0.09 0.00 0.04 0.00 0.00 61.00 59.74 2k43 s PRO 127 Cb -0.13 -3.86 -0.03 0.00 0.04 0.00 0.00 34.50 30.51 2k43 s PRO 127 CO -0.06 -0.85 0.13 -0.51 0.04 0.00 0.00 177.00 175.74 2k43 s LEU 128 N 1.55 3.75 0.41 -3.56 1.43 -1.16 -4.77 118.68 116.33 2k43 s LEU 128 Ca 0.03 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 2k43 s LEU 128 Cb -0.21 -2.01 -0.11 0.00 0.03 0.00 0.00 46.19 43.89 2k43 s LEU 128 CO 0.06 -0.06 0.91 -2.16 0.23 0.00 0.00 176.35 175.33 2k43 s PRO 129 N 1.67 4.21 0.41 1.29 0.04 -1.26 0.12 135.00 141.48 2k43 s PRO 129 Ca 0.06 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.90 2k43 s PRO 129 Cb -0.16 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 2k43 s PRO 129 CO 0.07 0.02 1.36 0.28 0.04 0.00 0.00 177.00 178.77 2k43 n VAL 130 N -0.53 2.47 -2.84 -0.36 0.31 0.92 -4.71 118.33 113.60 2k43 n VAL 130 Ca 0.06 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 2k43 n VAL 130 Cb 0.54 -1.73 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 2k43 n VAL 130 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2k43 s SER 131 N -0.42 7.05 -0.13 4.52 0.01 -1.26 -0.66 113.70 122.81 2k43 s SER 131 Ca 0.59 1.29 -0.00 0.00 1.31 0.00 0.00 55.95 59.13 2k43 s SER 131 Cb -0.49 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.28 2k43 s SER 131 CO 0.59 -0.38 -0.09 -0.55 0.41 0.00 0.00 173.24 173.22 2k43 s SER 132 N 1.10 2.40 0.00 2.44 0.15 -1.26 -4.85 113.70 113.68 2k43 s SER 132 Ca 0.41 -0.40 0.05 0.00 0.70 0.00 0.00 55.95 56.72 2k43 s SER 132 Cb -0.17 -0.93 0.04 0.00 -1.71 0.00 0.00 66.02 63.25 2k43 s SER 132 CO 0.15 -0.12 0.67 -0.67 1.20 0.00 0.00 173.24 174.47