#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 2.77 0.30 2.98 3.01 -1.17 -4.97 119.74 122.67 2k43 s LYS 2 Ca 0.00 -0.56 0.24 0.00 -1.01 0.00 0.00 55.97 54.63 2k43 s LYS 2 Cb 0.00 -2.64 0.35 0.00 -1.01 0.00 0.00 37.83 34.53 2k43 s LYS 2 CO 0.00 0.65 1.47 0.87 0.51 0.00 0.00 175.35 178.85 2k43 h LYS 3 N 4.88 0.00 -4.89 1.68 1.79 -1.96 -2.17 116.57 115.90 2k43 h LYS 3 Ca -0.49 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.33 2k43 h LYS 3 Cb 1.18 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.86 2k43 h LYS 3 CO 0.54 0.00 0.11 -2.30 -1.08 0.00 0.00 179.45 176.72 2k43 n PRO 4 N -2.72 0.00 -3.04 3.15 -0.02 -1.26 -4.64 135.00 126.46 2k43 n PRO 4 Ca 0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 2k43 n PRO 4 Cb 0.50 -1.22 -0.03 0.00 -0.02 0.00 0.00 33.50 32.74 2k43 n PRO 4 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2k43 s LYS 5 N 0.28 3.67 0.05 -0.52 3.01 0.34 -1.82 119.74 124.75 2k43 s LYS 5 Ca 0.75 0.20 -0.03 0.00 -1.01 0.00 0.00 55.97 55.88 2k43 s LYS 5 Cb -1.06 -2.51 -0.05 0.00 -1.01 0.00 0.00 37.83 33.21 2k43 s LYS 5 CO 0.49 0.05 0.25 -1.17 0.51 0.00 0.00 175.35 175.48 2k43 s LEU 6 N -3.89 4.35 -0.40 3.17 2.96 0.21 -1.58 118.68 123.50 2k43 s LEU 6 Ca 0.47 0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 54.71 2k43 s LEU 6 Cb -0.10 -2.89 0.06 0.00 0.50 0.00 0.00 46.19 43.76 2k43 s LEU 6 CO 0.33 0.19 0.23 -0.22 -1.32 0.00 0.00 176.35 175.55 2k43 s LEU 7 N -2.23 4.92 -0.33 -0.68 0.20 -1.26 -2.18 118.68 117.13 2k43 s LEU 7 Ca 0.33 -1.29 0.02 0.00 0.69 0.00 0.00 54.13 53.87 2k43 s LEU 7 Cb -0.13 -1.99 0.10 0.00 -0.43 0.00 0.00 46.19 43.74 2k43 s LEU 7 CO 0.22 -0.47 0.07 -0.72 -0.29 0.00 0.00 176.35 175.16 2k43 s TYR 8 N 1.47 2.93 -0.63 5.38 1.13 -0.79 -1.89 117.35 124.95 2k43 s TYR 8 Ca 0.02 -2.48 0.05 0.00 -1.41 0.00 0.00 57.07 53.25 2k43 s TYR 8 Cb -0.21 -2.43 0.19 0.00 -1.10 0.00 0.00 41.96 38.41 2k43 s TYR 8 CO 0.04 -0.92 0.52 0.00 -2.51 0.00 0.00 175.55 172.68 2k43 s SER 10 N -1.38 0.50 -0.75 0.00 0.15 -1.24 -4.06 113.70 106.92 2k43 s SER 10 Ca 0.30 -0.73 -0.26 0.00 0.70 0.00 0.00 55.95 55.95 2k43 s SER 10 Cb 0.02 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 2k43 s SER 10 CO -0.14 -0.41 1.39 0.21 1.20 0.00 0.00 173.24 175.48 2k43 s ASN 11 N -2.15 6.06 0.00 5.45 2.47 -1.25 -4.66 114.94 120.85 2k43 s ASN 11 Ca -0.04 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 52.79 2k43 s ASN 11 Cb -0.02 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 2k43 s ASN 11 CO -0.04 -1.90 0.00 0.61 -3.72 0.00 0.00 177.10 172.05 2k43 n GLY 12 N 5.60 2.57 2.73 1.21 0.00 -1.26 -5.11 105.19 110.93 2k43 n GLY 12 Ca 0.09 0.14 -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 -0.32 0.00 0.00 0.00 173.32 173.00 2k43 s GLY 13 N 0.00 -1.66 0.21 -0.02 0.00 -1.26 -5.16 107.32 99.43 2k43 s GLY 13 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 44.72 45.09 2k43 s GLY 13 CO 0.00 4.09 -0.00 0.30 0.00 0.00 0.00 173.10 177.49 2k43 s HIS 14 N 1.08 1.44 -0.02 1.90 3.76 -1.26 -4.75 115.29 117.43 2k43 s HIS 14 Ca 0.24 -0.96 0.03 0.00 -0.15 0.00 0.00 55.06 54.22 2k43 s HIS 14 Cb 0.07 -0.83 -0.00 0.00 1.11 0.00 0.00 32.58 32.94 2k43 s HIS 14 CO -0.09 -0.10 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.53 2k43 s PHE 15 N -3.51 0.99 0.04 1.40 0.08 -0.98 -4.36 117.98 111.65 2k43 s PHE 15 Ca 0.27 -0.23 -0.28 0.00 0.12 0.00 0.00 56.93 56.81 2k43 s PHE 15 Cb 0.06 -0.68 -0.05 0.00 -0.57 0.00 0.00 43.02 41.78 2k43 s PHE 15 CO 0.07 -0.08 0.90 -1.17 -0.10 0.00 0.00 175.22 174.85 2k43 s LEU 16 N 0.04 4.43 0.06 -0.37 2.96 -0.79 0.46 118.68 125.46 2k43 s LEU 16 Ca -0.01 1.62 0.04 0.00 -0.22 0.00 0.00 54.13 55.56 2k43 s LEU 16 Cb -0.07 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 2k43 s LEU 16 CO 0.00 -0.12 -0.12 0.00 -1.32 0.00 0.00 176.35 174.79 2k43 s ARG 17 N 0.39 0.74 0.02 1.98 3.03 0.14 -4.15 118.95 121.10 2k43 s ARG 17 Ca 0.46 -0.86 -0.08 0.00 2.03 0.00 0.00 55.73 57.28 2k43 s ARG 17 Cb -0.21 -0.68 -0.05 0.00 -1.03 0.00 0.00 34.95 32.97 2k43 s ARG 17 CO 0.27 0.15 0.31 0.96 -1.13 0.00 0.00 175.30 175.85 2k43 s ILE 18 N -1.23 5.24 0.13 4.99 -4.36 -1.24 -3.13 121.20 121.59 2k43 s ILE 18 Ca -0.04 0.30 0.03 0.00 -0.26 0.00 0.00 60.65 60.69 2k43 s ILE 18 Cb -0.10 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 2k43 s ILE 18 CO 0.02 0.38 -0.08 -1.48 0.24 0.00 0.00 174.94 174.01 2k43 s LEU 19 N -1.70 2.50 0.00 0.37 2.34 -1.25 -4.92 118.68 116.03 2k43 s LEU 19 Ca 0.28 -1.02 0.00 0.00 0.06 0.00 0.00 54.13 53.45 2k43 s LEU 19 Cb -0.14 -0.23 0.00 0.00 -0.56 0.00 0.00 46.19 45.26 2k43 s LEU 19 CO 0.16 -0.39 0.49 -2.65 -1.06 0.00 0.00 176.35 172.89 2k43 n PRO 20 N -0.15 0.66 0.10 1.48 -0.02 -1.26 -0.76 135.00 135.04 2k43 n PRO 20 Ca -0.11 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.42 2k43 n PRO 20 Cb 0.61 -1.17 -0.01 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.18 0.00 -0.36 2.55 3.58 -1.98 -3.48 116.42 116.91 2k43 h ASP 21 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k43 h ASP 21 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k43 h ASP 21 CO 0.00 0.33 0.00 0.61 -2.88 0.00 0.00 179.24 177.30 2k43 n GLY 22 N 1.27 1.04 3.58 -0.78 0.00 0.06 -5.02 105.19 105.33 2k43 n GLY 22 Ca -0.03 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.36 3.51 -0.48 2.61 2.01 -1.18 -1.10 115.64 118.66 2k43 s THR 23 Ca 0.00 -0.90 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 2k43 s THR 23 Cb 0.00 -2.54 0.11 0.00 0.01 0.00 0.00 72.50 70.08 2k43 s THR 23 CO 0.00 0.34 0.38 0.54 -0.69 0.00 0.00 174.62 175.18 2k43 s VAL 24 N -1.03 4.63 0.07 3.82 0.11 -1.09 -3.97 120.40 122.94 2k43 s VAL 24 Ca 0.18 -1.52 0.03 0.00 -2.93 0.00 0.00 61.98 57.74 2k43 s VAL 24 Cb -0.11 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 2k43 s VAL 24 CO 0.08 -0.72 -0.09 1.51 -3.33 0.00 0.00 175.10 172.55 2k43 s ASP 25 N 2.80 1.21 -0.11 3.54 1.47 -1.18 0.02 116.67 124.41 2k43 s ASP 25 Ca 0.04 -0.69 -0.09 0.00 1.18 0.00 0.00 52.55 52.99 2k43 s ASP 25 Cb -0.26 0.02 -0.04 0.00 -0.34 0.00 0.00 42.92 42.29 2k43 s ASP 25 CO 0.02 -0.23 0.20 -0.83 0.68 0.00 0.00 175.17 175.01 2k43 s GLY 26 N -2.02 2.20 -0.04 2.12 0.00 -0.57 0.25 107.32 109.27 2k43 s GLY 26 Ca -0.02 -0.56 -0.08 0.00 0.00 0.00 0.00 44.72 44.07 2k43 s GLY 26 CO 0.00 -0.14 0.18 -1.59 0.00 0.00 0.00 173.10 171.56 2k43 s THR 27 N -0.70 0.04 -0.50 0.90 2.01 0.17 -4.29 115.64 113.27 2k43 s THR 27 Ca 0.16 -0.33 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 2k43 s THR 27 Cb -0.13 -0.38 0.05 0.00 0.01 0.00 0.00 72.50 72.05 2k43 s THR 27 CO 0.05 -0.18 0.68 -0.60 -0.69 0.00 0.00 174.62 173.88 2k43 s ARG 28 N -0.65 3.19 -0.23 4.92 3.52 -1.26 -2.33 118.95 126.12 2k43 s ARG 28 Ca -0.07 -0.66 -0.03 0.00 -0.13 0.00 0.00 55.73 54.84 2k43 s ARG 28 Cb -0.04 -4.06 0.12 0.00 -1.56 0.00 0.00 34.95 29.41 2k43 s ARG 28 CO 0.01 -1.22 0.30 -0.51 -0.81 0.00 0.00 175.30 173.07 2k43 s ASP 29 N 2.55 0.95 0.00 -2.12 1.01 -1.26 -4.94 116.67 112.86 2k43 s ASP 29 Ca 0.19 -0.13 0.25 0.00 0.71 0.00 0.00 52.55 53.57 2k43 s ASP 29 Cb -0.17 0.70 0.46 0.00 1.01 0.00 0.00 42.92 44.93 2k43 s ASP 29 CO 0.15 -0.33 1.41 -1.14 0.21 0.00 0.00 175.17 175.47 2k43 n ARG 30 N 5.34 2.13 0.08 8.23 0.00 -1.26 -3.02 116.66 128.16 2k43 n ARG 30 Ca -0.04 -1.65 0.12 0.00 -0.00 0.00 0.00 57.85 56.28 2k43 n ARG 30 Cb 0.49 -1.47 0.46 0.00 0.00 0.00 0.00 32.46 31.94 2k43 n ARG 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2k43 n SER 31 N 1.00 0.54 -3.97 6.15 7.64 -1.26 -4.82 113.62 118.89 2k43 n SER 31 Ca 0.16 0.58 -0.19 0.00 1.01 0.00 0.00 58.87 60.43 2k43 n SER 31 Cb 0.52 -0.71 0.10 0.00 -1.01 0.00 0.00 64.21 63.11 2k43 n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k43 n ASP 32 N -2.03 0.99 -0.43 6.43 -0.08 -1.17 -5.03 116.55 115.23 2k43 n ASP 32 Ca 0.05 -1.86 0.05 0.00 -1.51 0.00 0.00 54.79 51.52 2k43 n ASP 32 Cb 0.33 -0.54 0.07 0.00 2.34 0.00 0.00 41.12 43.32 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 -2.53 1.17 0.00 -0.67 10.64 -1.26 -4.71 117.38 120.02 2k43 n GLN 33 Ca 0.13 -1.36 0.08 0.00 -1.83 0.00 0.00 57.00 54.01 2k43 n GLN 33 Cb 0.47 -1.20 -0.01 0.00 -0.86 0.00 0.00 30.24 28.64 2k43 n GLN 33 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2k43 n HIS 34 N 0.47 0.00 0.23 2.61 8.25 -1.26 -4.59 115.22 120.93 2k43 n HIS 34 Ca 0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.50 2k43 n HIS 34 Cb 0.29 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.28 1.43 -3.96 1.59 -0.00 -1.26 -3.72 119.36 113.16 2k43 n ILE 35 Ca 0.06 -0.62 -0.32 0.00 -0.00 0.00 0.00 62.75 61.87 2k43 n ILE 35 Cb 0.32 -0.61 -0.14 0.00 -0.00 0.00 0.00 39.64 39.21 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 -1.45 1.67 0.04 6.28 -2.07 -1.26 -4.34 119.66 118.53 2k43 s GLN 36 Ca 0.21 -2.01 0.06 0.00 -1.82 0.00 0.00 55.36 51.79 2k43 s GLN 36 Cb 0.17 -3.30 -0.03 0.00 -1.09 0.00 0.00 33.01 28.75 2k43 s GLN 36 CO 0.05 -1.00 -0.12 -0.48 -1.32 0.00 0.00 175.29 172.42 2k43 s LEU 37 N 0.71 2.89 -0.47 2.60 2.34 -0.62 -2.93 118.68 123.20 2k43 s LEU 37 Ca 0.12 -0.31 -0.18 0.00 0.06 0.00 0.00 54.13 53.82 2k43 s LEU 37 Cb -0.21 -1.68 0.05 0.00 -0.56 0.00 0.00 46.19 43.79 2k43 s LEU 37 CO -0.06 0.25 0.52 0.00 -1.06 0.00 0.00 176.35 176.00 2k43 s GLN 38 N -1.55 3.10 -0.46 1.48 -2.07 0.19 0.13 119.66 120.47 2k43 s GLN 38 Ca 0.17 -0.90 -0.08 0.00 -1.82 0.00 0.00 55.36 52.73 2k43 s GLN 38 Cb -0.11 -4.05 0.12 0.00 -1.09 0.00 0.00 33.01 27.88 2k43 s GLN 38 CO 0.07 -1.05 0.32 -1.17 -1.32 0.00 0.00 175.29 172.15 2k43 s LEU 39 N 2.29 5.61 0.40 2.60 0.20 -1.26 -1.73 118.68 126.80 2k43 s LEU 39 Ca 0.12 -1.96 0.08 0.00 0.69 0.00 0.00 54.13 53.06 2k43 s LEU 39 Cb -0.19 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.56 2k43 s LEU 39 CO 0.12 -0.66 0.29 -0.44 -0.29 0.00 0.00 176.35 175.37 2k43 s SER 40 N 2.47 4.87 -0.40 3.68 0.01 -0.86 -4.92 113.70 118.54 2k43 s SER 40 Ca 0.07 -0.81 -0.03 0.00 1.31 0.00 0.00 55.95 56.48 2k43 s SER 40 Cb -0.25 -0.60 0.11 0.00 0.21 0.00 0.00 66.02 65.48 2k43 s SER 40 CO -0.02 -0.56 0.19 0.00 0.41 0.00 0.00 173.24 173.26 2k43 s ALA 41 N -2.49 3.13 -0.25 1.44 0.00 -1.26 -0.03 121.76 122.31 2k43 s ALA 41 Ca 0.44 -2.48 0.03 0.00 0.00 0.00 0.00 51.96 49.95 2k43 s ALA 41 Cb -0.01 -2.38 -0.17 0.00 0.00 0.00 0.00 23.12 20.56 2k43 s ALA 41 CO 0.26 -1.76 -0.21 -1.91 0.00 0.00 0.00 175.76 172.14 2k43 n GLU 42 N 4.59 0.63 -3.95 0.00 2.13 -0.96 -4.90 120.64 118.19 2k43 n GLU 42 Ca -0.03 0.14 -0.22 0.00 0.66 0.00 0.00 57.16 57.71 2k43 n GLU 42 Cb 0.42 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.58 2k43 n GLU 42 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k43 s SER 43 N -6.36 4.96 -0.09 4.31 0.01 -1.24 -5.03 113.70 110.25 2k43 s SER 43 Ca -0.32 -0.66 -0.29 0.00 1.31 0.00 0.00 55.95 55.99 2k43 s SER 43 Cb 0.08 -0.82 -0.07 0.00 0.21 0.00 0.00 66.02 65.43 2k43 s SER 43 CO 0.58 -0.35 2.01 0.68 0.41 0.00 0.00 173.24 176.58 2k43 s VAL 44 N -2.38 3.11 0.00 3.43 -7.23 -1.26 -2.01 120.40 114.06 2k43 s VAL 44 Ca 0.40 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 2k43 s VAL 44 Cb -0.04 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2k43 s VAL 44 CO 0.25 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2k43 n GLY 45 N 5.00 3.13 3.87 2.32 0.00 -1.26 -5.00 105.19 113.25 2k43 n GLY 45 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.40 3.69 0.02 1.61 2.02 -0.85 -0.55 118.70 124.24 2k43 s GLU 46 Ca 0.00 0.08 0.07 0.00 0.02 0.00 0.00 54.97 55.14 2k43 s GLU 46 Cb 0.00 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 2k43 s GLU 46 CO 0.00 0.60 -0.20 0.14 0.02 0.00 0.00 175.26 175.82 2k43 s VAL 47 N -1.35 2.64 -0.17 2.63 -7.23 -0.13 -2.26 120.40 114.53 2k43 s VAL 47 Ca 0.31 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 2k43 s VAL 47 Cb -0.14 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.75 2k43 s VAL 47 CO 0.17 0.42 -0.16 -0.47 -0.31 0.00 0.00 175.10 174.75 2k43 s TYR 48 N -0.83 2.79 -0.52 2.82 6.14 0.96 -2.66 117.35 126.04 2k43 s TYR 48 Ca 0.13 -1.26 -0.16 0.00 0.64 0.00 0.00 57.07 56.42 2k43 s TYR 48 Cb -0.10 -1.92 0.10 0.00 0.42 0.00 0.00 41.96 40.46 2k43 s TYR 48 CO 0.03 -0.61 0.48 0.42 0.64 0.00 0.00 175.55 176.52 2k43 s ILE 49 N 1.06 5.17 0.17 3.14 1.01 -1.26 -2.03 121.20 128.45 2k43 s ILE 49 Ca -0.01 -1.26 0.11 0.00 0.00 0.00 0.00 60.65 59.49 2k43 s ILE 49 Cb -0.14 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2k43 s ILE 49 CO -0.05 -0.78 -0.24 -0.54 0.00 0.00 0.00 174.94 173.33 2k43 s LYS 50 N 1.75 1.44 0.22 2.79 1.02 -0.70 -4.55 119.74 121.70 2k43 s LYS 50 Ca 0.05 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.30 2k43 s LYS 50 Cb -0.27 -1.80 -0.08 0.00 -0.52 0.00 0.00 37.83 35.16 2k43 s LYS 50 CO 0.05 0.40 0.92 -1.12 -0.92 0.00 0.00 175.35 174.68 2k43 s SER 51 N -2.44 7.60 0.00 2.83 0.01 -1.17 0.55 113.70 121.08 2k43 s SER 51 Ca 0.17 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.33 2k43 s SER 51 Cb -0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2k43 s SER 51 CO 0.08 0.14 0.00 0.41 0.41 0.00 0.00 173.24 174.28 2k43 n THR 52 N 1.66 0.00 -0.09 1.44 -1.04 -1.20 -4.65 114.28 110.41 2k43 n THR 52 Ca -0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.76 2k43 n THR 52 Cb 0.47 -0.17 -0.12 0.00 -1.82 0.00 0.00 70.33 68.70 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 0.61 -0.37 -2.82 2.13 -1.26 -4.64 120.64 114.29 2k43 n GLU 53 Ca 0.00 0.46 0.08 0.00 0.66 0.00 0.00 57.16 58.36 2k43 n GLU 53 Cb 0.00 -1.69 0.23 0.00 0.27 0.00 0.00 31.44 30.25 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 -4.19 2.21 0.05 6.31 -2.24 -1.26 -4.92 114.28 110.23 2k43 n THR 54 Ca -0.36 -2.01 0.04 0.00 -2.27 0.00 0.00 64.05 59.44 2k43 n THR 54 Cb 0.79 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 2k43 n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k43 n GLY 55 N -0.76 -1.28 0.00 3.38 0.00 -1.15 -4.44 105.19 100.94 2k43 n GLY 55 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2k43 n GLY 55 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k43 n GLN 56 N -2.79 0.00 -2.82 1.61 -0.06 -1.23 -3.76 117.38 108.32 2k43 n GLN 56 Ca -0.07 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.58 2k43 n GLN 56 Cb 0.74 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.91 2k43 n GLN 56 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 2k43 n TYR 57 N -0.09 3.18 -2.30 3.69 9.36 -1.00 -3.07 117.16 126.94 2k43 n TYR 57 Ca 0.00 -3.12 -0.40 0.00 3.32 0.00 0.00 57.90 57.71 2k43 n TYR 57 Cb 0.00 -0.94 -0.03 0.00 -0.63 0.00 0.00 39.34 37.74 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 -3.79 3.23 -0.34 2.98 0.20 -1.26 -3.35 118.68 116.33 2k43 s LEU 58 Ca 0.41 -0.09 -0.12 0.00 0.69 0.00 0.00 54.13 55.03 2k43 s LEU 58 Cb 0.20 -2.55 -0.01 0.00 -0.43 0.00 0.00 46.19 43.41 2k43 s LEU 58 CO -0.10 -2.11 0.23 0.00 -0.29 0.00 0.00 176.35 174.08 2k43 s ALA 59 N 7.39 3.43 -0.20 5.97 0.00 -0.80 -2.17 121.76 135.39 2k43 s ALA 59 Ca 0.51 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.75 2k43 s ALA 59 Cb -0.10 -2.63 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 2k43 s ALA 59 CO 0.17 -1.04 0.95 -1.64 0.00 0.00 0.00 175.76 174.20 2k43 s MET 60 N 1.68 4.28 -0.42 0.00 -1.94 -1.23 -1.03 119.30 120.63 2k43 s MET 60 Ca 0.05 1.22 -0.14 0.00 -1.71 0.00 0.00 55.69 55.11 2k43 s MET 60 Cb -0.18 -3.61 0.04 0.00 2.01 0.00 0.00 34.83 33.09 2k43 s MET 60 CO 0.09 -0.50 0.31 0.34 -0.01 0.00 0.00 175.02 175.25 2k43 s ASP 61 N 1.20 6.01 0.00 3.03 2.15 -0.86 -4.56 116.67 123.64 2k43 s ASP 61 Ca 0.42 -1.09 0.00 0.00 0.43 0.00 0.00 52.55 52.31 2k43 s ASP 61 Cb -0.16 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 2k43 s ASP 61 CO 0.09 -0.50 0.00 0.35 -0.17 0.00 0.00 175.17 174.94 2k43 n THR 62 N 5.12 0.00 0.00 1.71 -2.24 -1.26 -1.89 114.28 115.72 2k43 n THR 62 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2k43 n THR 62 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.00 0.00 -0.10 3.42 2.03 -1.26 -4.34 116.55 116.30 2k43 n ASP 63 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 2k43 n ASP 63 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.00 -0.28 2.98 0.27 0.00 -0.79 -3.42 105.19 103.95 2k43 n GLY 64 Ca 0.00 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2k43 n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k43 s LEU 65 N -6.22 1.49 -0.29 0.99 2.96 -1.24 -0.10 118.68 116.27 2k43 s LEU 65 Ca -0.27 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 2k43 s LEU 65 Cb 0.07 -1.01 0.04 0.00 0.50 0.00 0.00 46.19 45.80 2k43 s LEU 65 CO 0.46 -0.06 -0.00 -1.48 -1.32 0.00 0.00 176.35 173.94 2k43 s LEU 66 N 1.44 3.76 0.04 -0.68 2.34 -1.04 -2.04 118.68 122.49 2k43 s LEU 66 Ca 0.02 -1.14 0.05 0.00 0.06 0.00 0.00 54.13 53.12 2k43 s LEU 66 Cb -0.13 -1.72 -0.02 0.00 -0.56 0.00 0.00 46.19 43.76 2k43 s LEU 66 CO -0.07 -0.23 -0.15 -0.72 -1.06 0.00 0.00 176.35 174.11 2k43 s TYR 67 N 1.29 1.35 0.00 3.48 1.13 -0.20 -4.51 117.35 119.90 2k43 s TYR 67 Ca -0.03 -0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 54.99 2k43 s TYR 67 Cb -0.19 -0.81 0.10 0.00 -1.10 0.00 0.00 41.96 39.96 2k43 s TYR 67 CO -0.01 0.04 0.90 0.20 -2.51 0.00 0.00 175.55 174.17 2k43 s GLY 68 N -1.10 -0.44 0.10 5.49 0.00 -0.26 -1.91 107.32 109.20 2k43 s GLY 68 Ca 0.03 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.72 2k43 s GLY 68 CO 0.01 0.32 0.00 1.44 0.00 0.00 0.00 173.10 174.87 2k43 n SER 69 N -0.26 -0.55 0.07 1.64 7.64 -1.21 -2.68 113.62 118.27 2k43 n SER 69 Ca -0.08 0.19 -0.22 0.00 1.01 0.00 0.00 58.87 59.77 2k43 n SER 69 Cb 0.62 0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 64.37 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 0.37 -5.15 1.43 7.50 -1.87 -2.64 115.11 114.74 2k43 h GLN 70 Ca 0.00 -0.63 -0.53 0.00 0.50 0.00 0.00 58.65 57.98 2k43 h GLN 70 Cb 0.00 0.24 -0.13 0.00 0.05 0.00 0.00 27.48 27.63 2k43 h GLN 70 CO 0.00 1.30 -0.56 0.95 -1.50 0.00 0.00 178.83 179.02 2k43 s THR 71 N -2.50 0.95 -0.32 -0.54 -4.23 -1.26 -4.75 115.64 102.99 2k43 s THR 71 Ca -0.14 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 2k43 s THR 71 Cb 0.03 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.40 2k43 s THR 71 CO 0.86 0.00 0.01 -2.16 -0.54 0.00 0.00 174.62 172.79 2k43 s PRO 72 N -3.81 2.07 0.40 3.99 0.04 -1.26 -2.88 135.00 133.56 2k43 s PRO 72 Ca 0.28 -1.53 0.00 0.00 0.04 0.00 0.00 61.00 59.79 2k43 s PRO 72 Cb 0.05 -3.17 0.08 0.00 0.04 0.00 0.00 34.50 31.50 2k43 s PRO 72 CO 0.14 -0.76 0.55 0.09 0.04 0.00 0.00 177.00 177.07 2k43 n ASN 73 N 4.47 0.78 -4.27 6.66 3.02 -1.26 -4.99 115.26 119.68 2k43 n ASN 73 Ca -0.07 -1.65 -0.44 0.00 -0.03 0.00 0.00 54.58 52.39 2k43 n ASN 73 Cb 0.42 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2k43 s GLU 74 N -3.88 2.84 0.00 3.52 -1.05 -1.26 -3.98 118.70 114.88 2k43 s GLU 74 Ca 0.37 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 2k43 s GLU 74 Cb -0.02 -4.15 0.00 0.00 -0.44 0.00 0.00 34.13 29.52 2k43 s GLU 74 CO 0.24 -1.27 0.00 0.39 0.95 0.00 0.00 175.26 175.58 2k43 n GLU 75 N 4.93 2.37 0.00 -4.83 1.02 -1.26 -4.85 120.64 118.02 2k43 n GLU 75 Ca -0.08 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.20 2k43 n GLU 75 Cb 0.41 -0.56 0.63 0.00 -0.02 0.00 0.00 31.44 31.91 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 -2.49 4.39 0.15 0.00 0.05 -1.26 -4.29 118.68 115.24 2k43 s LEU 77 Ca 0.29 1.69 0.02 0.00 0.05 0.00 0.00 54.13 56.18 2k43 s LEU 77 Cb 0.20 -3.57 -0.04 0.00 -2.05 0.00 0.00 46.19 40.72 2k43 s LEU 77 CO 0.47 -0.23 -0.03 -0.36 -0.55 0.00 0.00 176.35 175.65 2k43 s PHE 78 N 0.84 1.15 0.03 3.48 0.08 -1.09 -3.68 117.98 118.80 2k43 s PHE 78 Ca 0.51 -0.94 -0.19 0.00 0.12 0.00 0.00 56.93 56.43 2k43 s PHE 78 Cb -0.21 -0.65 -0.06 0.00 -0.57 0.00 0.00 43.02 41.53 2k43 s PHE 78 CO 0.28 -0.13 0.56 -1.17 -0.10 0.00 0.00 175.22 174.66 2k43 s LEU 79 N -3.15 4.48 -0.16 -0.37 0.20 -0.18 -0.95 118.68 118.55 2k43 s LEU 79 Ca 0.20 1.19 -0.15 0.00 0.69 0.00 0.00 54.13 56.06 2k43 s LEU 79 Cb 0.05 -2.88 -0.04 0.00 -0.43 0.00 0.00 46.19 42.89 2k43 s LEU 79 CO 0.01 0.21 0.33 -0.70 -0.29 0.00 0.00 176.35 175.92 2k43 s GLU 80 N -0.73 4.27 -0.24 1.98 2.12 0.28 -0.17 118.70 126.21 2k43 s GLU 80 Ca 0.29 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.79 2k43 s GLU 80 Cb -0.19 -3.44 0.06 0.00 0.26 0.00 0.00 34.13 30.83 2k43 s GLU 80 CO 0.18 0.20 -0.03 0.50 -0.54 0.00 0.00 175.26 175.56 2k43 s ARG 81 N 0.57 1.47 -0.15 4.30 6.06 0.04 -4.98 118.95 126.26 2k43 s ARG 81 Ca 0.18 -0.97 -0.17 0.00 -2.50 0.00 0.00 55.73 52.27 2k43 s ARG 81 Cb -0.13 -2.53 -0.04 0.00 0.06 0.00 0.00 34.95 32.30 2k43 s ARG 81 CO 0.05 -0.63 0.45 -0.48 -2.50 0.00 0.00 175.30 172.19 2k43 s LEU 82 N 1.44 4.23 0.42 -0.88 0.05 -1.26 -0.18 118.68 122.49 2k43 s LEU 82 Ca -0.04 0.71 -0.05 0.00 0.05 0.00 0.00 54.13 54.80 2k43 s LEU 82 Cb -0.19 -2.64 -0.04 0.00 -2.05 0.00 0.00 46.19 41.27 2k43 s LEU 82 CO -0.07 -0.03 0.71 -0.70 -0.55 0.00 0.00 176.35 175.70 2k43 s GLU 83 N 0.90 3.59 0.00 1.48 2.56 0.51 -4.95 118.70 122.79 2k43 s GLU 83 Ca 0.24 0.13 0.26 0.00 0.00 0.00 0.00 54.97 55.60 2k43 s GLU 83 Cb -0.15 -2.47 0.62 0.00 2.00 0.00 0.00 34.13 34.13 2k43 s GLU 83 CO 0.09 -0.05 1.48 -1.91 -0.56 0.00 0.00 175.26 174.31 2k43 n GLU 84 N -1.80 1.09 -0.62 4.30 4.07 -1.26 -3.01 120.64 123.41 2k43 n GLU 84 Ca -0.00 -0.72 -0.08 0.00 -0.06 0.00 0.00 57.16 56.30 2k43 n GLU 84 Cb 0.55 -1.49 0.14 0.00 -0.06 0.00 0.00 31.44 30.58 2k43 n GLU 84 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2k43 n ASN 85 N -0.33 3.47 -3.77 4.31 4.13 -1.26 -4.86 115.26 116.95 2k43 n ASN 85 Ca 0.13 -2.77 -0.28 0.00 1.68 0.00 0.00 54.58 53.34 2k43 n ASN 85 Cb 0.38 -0.66 0.02 0.00 -1.54 0.00 0.00 39.78 37.98 2k43 n ASN 85 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2k43 n HIS 86 N -0.17 -1.82 -4.86 3.10 -0.00 -1.16 -5.02 115.22 105.28 2k43 n HIS 86 Ca 0.27 0.61 -0.28 0.00 0.46 0.00 0.00 57.72 58.78 2k43 n HIS 86 Cb 1.03 -3.68 -0.15 0.00 -0.12 0.00 0.00 29.99 27.07 2k43 n HIS 86 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2k43 s TYR 87 N -3.66 2.07 -0.09 1.57 2.02 -1.21 -5.00 117.35 113.03 2k43 s TYR 87 Ca 0.25 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.42 2k43 s TYR 87 Cb -0.09 -1.26 -0.05 0.00 -0.40 0.00 0.00 41.96 40.17 2k43 s TYR 87 CO 0.86 0.07 0.33 -0.80 -1.57 0.00 0.00 175.55 174.44 2k43 s ASN 88 N -1.05 6.59 0.19 2.29 -0.87 -0.91 -0.36 114.94 120.82 2k43 s ASN 88 Ca 0.09 0.70 0.08 0.00 -1.57 0.00 0.00 52.86 52.17 2k43 s ASN 88 Cb -0.09 -2.20 -0.04 0.00 -0.02 0.00 0.00 41.25 38.90 2k43 s ASN 88 CO 0.01 0.23 -0.17 -0.89 -2.57 0.00 0.00 177.10 173.71 2k43 s THR 89 N -0.35 1.83 0.01 1.60 2.01 0.74 -0.65 115.64 120.82 2k43 s THR 89 Ca 0.20 -2.05 -0.11 0.00 0.31 0.00 0.00 61.69 60.03 2k43 s THR 89 Cb -0.14 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.44 2k43 s THR 89 CO 0.08 -0.42 0.23 -0.31 -0.69 0.00 0.00 174.62 173.51 2k43 s TYR 90 N -2.41 -0.06 -0.02 4.92 2.02 -1.26 -0.78 117.35 119.77 2k43 s TYR 90 Ca 0.19 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 2k43 s TYR 90 Cb -0.04 0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.51 2k43 s TYR 90 CO 0.07 -0.37 -0.09 -1.50 -1.57 0.00 0.00 175.55 172.09 2k43 s ILE 91 N -1.66 3.46 -0.80 2.71 1.10 0.76 -2.28 121.20 124.49 2k43 s ILE 91 Ca -0.12 -0.75 -0.22 0.00 -0.51 0.00 0.00 60.65 59.05 2k43 s ILE 91 Cb -0.05 -2.46 0.08 0.00 0.15 0.00 0.00 42.46 40.18 2k43 s ILE 91 CO 0.01 0.46 1.13 -0.94 -2.11 0.00 0.00 174.94 173.49 2k43 s SER 92 N -1.17 6.34 0.00 4.50 1.04 -1.18 -1.02 113.70 122.21 2k43 s SER 92 Ca 0.15 -1.26 0.24 0.00 0.48 0.00 0.00 55.95 55.55 2k43 s SER 92 Cb -0.11 -2.46 1.41 0.00 0.10 0.00 0.00 66.02 64.96 2k43 s SER 92 CO 0.05 -1.41 1.78 0.29 0.98 0.00 0.00 173.24 174.92 2k43 n LYS 93 N 7.83 0.75 0.00 4.02 5.02 -1.24 -1.64 118.16 132.89 2k43 n LYS 93 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2k43 n LYS 93 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2k43 n LYS 93 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k43 n LYS 94 N -0.99 0.00 -1.09 1.97 3.00 -1.26 -3.07 118.16 116.71 2k43 n LYS 94 Ca 0.18 0.36 -0.24 0.00 -0.00 0.00 0.00 58.31 58.60 2k43 n LYS 94 Cb 0.08 -1.30 0.10 0.00 0.00 0.00 0.00 35.03 33.91 2k43 n LYS 94 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2k43 n HIS 95 N -1.49 2.57 -0.22 5.64 1.44 -1.20 -4.81 115.22 117.15 2k43 n HIS 95 Ca 0.00 -2.18 0.11 0.00 -2.01 0.00 0.00 57.72 53.64 2k43 n HIS 95 Cb 0.00 -1.07 0.22 0.00 0.12 0.00 0.00 29.99 29.26 2k43 n HIS 95 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k43 n ALA 96 N -0.63 0.39 -0.24 1.59 0.00 -0.65 -0.04 120.51 120.93 2k43 n ALA 96 Ca 0.50 0.70 0.26 0.00 0.00 0.00 0.00 53.44 54.90 2k43 n ALA 96 Cb 1.00 -0.54 0.64 0.00 0.00 0.00 0.00 19.45 20.54 2k43 n ALA 96 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k43 h GLU 97 N 0.00 0.17 -0.01 0.00 5.08 -1.87 -1.25 114.58 116.69 2k43 h GLU 97 Ca 0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2k43 h GLU 97 Cb 0.92 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2k43 h GLU 97 CO -0.60 0.11 -0.09 1.63 -1.00 0.00 0.00 179.01 179.06 2k43 n LYS 98 N -4.38 1.41 -1.03 2.33 4.01 0.94 -4.94 118.16 116.51 2k43 n LYS 98 Ca 0.21 -0.85 -0.01 0.00 -0.51 0.00 0.00 58.31 57.15 2k43 n LYS 98 Cb 0.92 -1.48 -0.00 0.00 -0.51 0.00 0.00 35.03 33.95 2k43 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2k43 n ASN 99 N -0.05 -3.11 -4.84 4.39 5.15 -0.47 -5.02 115.26 111.30 2k43 n ASN 99 Ca 0.16 0.02 -0.29 0.00 -0.60 0.00 0.00 54.58 53.88 2k43 n ASN 99 Cb 0.36 -0.69 0.11 0.00 -0.53 0.00 0.00 39.78 39.03 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2k43 s TRP 100 N -2.03 2.74 0.05 1.20 0.51 -1.26 -5.01 118.94 115.13 2k43 s TRP 100 Ca 0.00 0.84 -0.01 0.00 -2.12 0.00 0.00 56.10 54.81 2k43 s TRP 100 Cb 0.00 -3.40 -0.04 0.00 -0.81 0.00 0.00 33.47 29.22 2k43 s TRP 100 CO 0.00 -2.04 0.22 -0.06 -0.51 0.00 0.00 176.95 174.56 2k43 s PHE 101 N -3.39 3.53 -0.31 -1.98 0.40 -1.26 -3.07 117.98 111.90 2k43 s PHE 101 Ca 0.63 0.31 -0.20 0.00 -0.60 0.00 0.00 56.93 57.06 2k43 s PHE 101 Cb -0.13 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 2k43 s PHE 101 CO 0.52 0.59 0.63 0.54 0.70 0.00 0.00 175.22 178.20 2k43 s VAL 102 N -1.47 4.93 0.06 -0.44 0.11 -0.97 -4.49 120.40 118.13 2k43 s VAL 102 Ca 0.33 0.86 0.02 0.00 -2.93 0.00 0.00 61.98 60.27 2k43 s VAL 102 Cb -0.13 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.69 2k43 s VAL 102 CO 0.25 -0.14 -0.08 -0.83 -3.33 0.00 0.00 175.10 170.97 2k43 s GLY 103 N 1.64 0.60 0.06 6.54 0.00 -1.25 -4.63 107.32 110.27 2k43 s GLY 103 Ca 0.25 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 44.10 2k43 s GLY 103 CO 0.12 -0.97 -0.12 0.48 0.00 0.00 0.00 173.10 172.61 2k43 s LEU 104 N -1.90 2.25 -0.63 0.66 0.05 -1.17 -1.30 118.68 116.65 2k43 s LEU 104 Ca -0.05 -0.56 -0.16 0.00 0.05 0.00 0.00 54.13 53.41 2k43 s LEU 104 Cb -0.07 -0.38 0.15 0.00 -2.05 0.00 0.00 46.19 43.83 2k43 s LEU 104 CO -0.00 -0.11 0.62 -0.75 -0.55 0.00 0.00 176.35 175.56 2k43 s LYS 105 N -1.58 3.16 0.51 1.48 2.47 -0.77 -4.58 119.74 120.42 2k43 s LYS 105 Ca -0.05 -1.81 0.30 0.00 -1.56 0.00 0.00 55.97 52.85 2k43 s LYS 105 Cb -0.10 -4.34 1.04 0.00 -1.46 0.00 0.00 37.83 32.97 2k43 s LYS 105 CO 0.01 -1.38 1.86 1.57 0.16 0.00 0.00 175.35 177.58 2k43 h LYS 106 N 8.69 0.00 0.00 4.03 -0.00 -1.76 1.18 116.57 128.71 2k43 h LYS 106 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.46 2k43 h LYS 106 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.31 2k43 h LYS 106 CO 0.99 0.03 0.00 -1.71 -0.00 0.00 0.00 179.45 178.76 2k43 n ASN 107 N -3.13 0.02 0.00 7.07 5.15 -1.26 -1.52 115.26 121.59 2k43 n ASN 107 Ca 0.01 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 2k43 n ASN 107 Cb 0.38 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 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 1.04 0.47 3.38 8.20 0.00 -0.30 -4.82 105.19 113.15 2k43 n GLY 108 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k43 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k43 s SER 109 N 1.00 -0.41 -0.57 1.61 1.04 0.39 -1.63 113.70 115.14 2k43 s SER 109 Ca 0.00 0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.28 2k43 s SER 109 Cb 0.00 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.70 2k43 s SER 109 CO 0.00 -0.78 0.72 0.00 0.98 0.00 0.00 173.24 174.16 2k43 s LYS 111 N 2.89 0.18 -0.34 0.00 0.00 -1.25 -2.51 119.74 118.72 2k43 s LYS 111 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 55.97 55.89 2k43 s LYS 111 Cb -0.21 -1.24 0.13 0.00 0.00 0.00 0.00 37.83 36.52 2k43 s LYS 111 CO 0.09 -0.88 0.21 1.03 0.00 0.00 0.00 175.35 175.81 2k43 s ARG 112 N 2.20 0.47 -0.04 1.78 1.81 -0.42 -4.63 118.95 120.12 2k43 s ARG 112 Ca 0.07 -1.07 -0.05 0.00 -1.72 0.00 0.00 55.73 52.96 2k43 s ARG 112 Cb -0.16 -1.18 -0.02 0.00 -0.45 0.00 0.00 34.95 33.15 2k43 s ARG 112 CO -0.25 -1.16 -0.09 0.41 -0.68 0.00 0.00 175.30 173.52 2k43 n GLY 113 N 4.36 -0.40 0.16 -3.53 0.00 0.86 -3.86 105.19 102.78 2k43 n GLY 113 Ca 0.08 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2k43 n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k43 n PRO 114 N -3.07 0.16 0.00 1.61 -0.04 -1.26 -1.82 135.00 130.59 2k43 n PRO 114 Ca -0.04 0.58 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 2k43 n PRO 114 Cb 0.13 -1.95 -0.11 0.00 -0.04 0.00 0.00 33.50 31.54 2k43 n PRO 114 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k43 n ARG 115 N -2.28 0.37 -2.59 0.54 3.00 -1.26 -4.82 116.66 109.62 2k43 n ARG 115 Ca -0.00 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.85 57.33 2k43 n ARG 115 Cb 0.09 -1.54 -0.02 0.00 0.00 0.00 0.00 32.46 30.99 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 -3.28 4.07 -5.00 0.55 -4.23 -0.75 -3.59 115.64 103.39 2k43 s THR 116 Ca -0.00 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 2k43 s THR 116 Cb 0.15 -4.70 0.00 0.00 1.34 0.00 0.00 72.50 69.29 2k43 s THR 116 CO 0.87 -1.26 0.00 1.57 -0.54 0.00 0.00 174.62 175.26 2k43 n HIS 117 N 8.29 0.00 -2.77 3.99 -0.00 -1.26 -4.21 115.22 119.27 2k43 n HIS 117 Ca 0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.38 2k43 n HIS 117 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.47 2k43 n HIS 117 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2k43 s TYR 118 N -2.05 3.09 -0.14 1.57 5.04 -1.26 -3.87 117.35 119.73 2k43 s TYR 118 Ca 0.00 -1.73 0.01 0.00 -2.44 0.00 0.00 57.07 52.90 2k43 s TYR 118 Cb 0.00 -4.52 -0.09 0.00 0.35 0.00 0.00 41.96 37.70 2k43 s TYR 118 CO 0.00 -1.62 -0.13 0.41 -1.34 0.00 0.00 175.55 172.87 2k43 n GLY 119 N 5.03 -0.20 3.04 8.97 0.00 -1.24 -5.06 105.19 115.74 2k43 n GLY 119 Ca 0.40 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.28 0.19 -0.12 1.61 -1.52 -1.24 -5.01 119.66 111.29 2k43 s GLN 120 Ca -0.19 0.26 0.02 0.00 -1.95 0.00 0.00 55.36 53.50 2k43 s GLN 120 Cb 0.05 0.07 0.22 0.00 -0.22 0.00 0.00 33.01 33.13 2k43 s GLN 120 CO 0.32 -0.04 1.18 0.36 -0.25 0.00 0.00 175.29 176.86 2k43 n LYS 121 N 3.11 1.59 0.00 2.91 2.85 -1.26 -3.30 118.16 124.06 2k43 n LYS 121 Ca -0.14 -0.93 0.16 0.00 -1.05 0.00 0.00 58.31 56.35 2k43 n LYS 121 Cb 0.58 -1.46 0.88 0.00 -0.65 0.00 0.00 35.03 34.39 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k43 n ALA 122 N 0.05 2.65 1.38 0.58 0.00 -1.26 -2.32 120.51 121.60 2k43 n ALA 122 Ca 0.16 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2k43 n ALA 122 Cb 0.78 -1.49 0.46 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.97 0.06 -3.25 0.00 5.41 -1.21 -3.02 119.36 116.39 2k43 n ILE 123 Ca 0.22 -0.30 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 2k43 n ILE 123 Cb 0.15 0.52 -0.08 0.00 -0.71 0.00 0.00 39.64 39.53 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2k43 s LEU 124 N -1.88 4.89 -0.15 1.39 1.02 -0.98 -4.54 118.68 118.42 2k43 s LEU 124 Ca 0.36 -0.73 -0.12 0.00 0.02 0.00 0.00 54.13 53.66 2k43 s LEU 124 Cb 0.20 -2.45 -0.05 0.00 0.02 0.00 0.00 46.19 43.92 2k43 s LEU 124 CO 0.31 -0.70 0.25 -0.36 0.02 0.00 0.00 176.35 175.88 2k43 s PHE 125 N 2.35 3.48 -0.19 0.29 0.40 0.17 -3.70 117.98 120.78 2k43 s PHE 125 Ca 0.14 0.57 0.01 0.00 -0.60 0.00 0.00 56.93 57.04 2k43 s PHE 125 Cb -0.18 -2.26 0.04 0.00 0.51 0.00 0.00 43.02 41.13 2k43 s PHE 125 CO 0.14 0.33 -0.11 -0.51 0.70 0.00 0.00 175.22 175.76 2k43 s LEU 126 N 0.19 2.18 -0.38 -0.37 1.02 -0.87 -2.13 118.68 118.31 2k43 s LEU 126 Ca 0.15 -0.81 -0.09 0.00 0.02 0.00 0.00 54.13 53.40 2k43 s LEU 126 Cb -0.13 -1.24 0.05 0.00 0.02 0.00 0.00 46.19 44.90 2k43 s LEU 126 CO 0.03 -0.12 0.20 -2.16 0.02 0.00 0.00 176.35 174.32 2k43 s PRO 127 N 1.41 2.66 -0.24 1.29 0.04 -1.26 -1.88 135.00 137.02 2k43 s PRO 127 Ca 0.00 -1.28 -0.06 0.00 0.04 0.00 0.00 61.00 59.70 2k43 s PRO 127 Cb -0.15 -3.68 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 2k43 s PRO 127 CO -0.09 -0.81 0.03 -0.51 0.04 0.00 0.00 177.00 175.67 2k43 s LEU 128 N 1.45 3.27 0.51 -3.56 1.43 -0.93 -4.77 118.68 116.09 2k43 s LEU 128 Ca 0.01 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 2k43 s LEU 128 Cb -0.21 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 2k43 s LEU 128 CO 0.04 -0.04 0.91 -2.16 0.23 0.00 0.00 176.35 175.33 2k43 s PRO 129 N 1.56 3.76 0.06 1.29 0.04 -1.26 0.68 135.00 141.13 2k43 s PRO 129 Ca 0.06 0.68 -0.31 0.00 0.04 0.00 0.00 61.00 61.47 2k43 s PRO 129 Cb -0.15 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 2k43 s PRO 129 CO 0.01 -0.28 1.51 0.08 0.04 0.00 0.00 177.00 178.37 2k43 s VAL 130 N -2.71 3.29 0.37 -0.36 1.01 -0.75 -4.86 120.40 116.38 2k43 s VAL 130 Ca 0.54 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 63.24 2k43 s VAL 130 Cb -0.10 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2k43 s VAL 130 CO 0.39 0.01 0.66 -0.55 0.00 0.00 0.00 175.10 175.61 2k43 s SER 131 N 1.92 6.39 -1.07 3.32 0.15 -1.26 -1.06 113.70 122.08 2k43 s SER 131 Ca 0.68 0.82 -0.15 0.00 0.70 0.00 0.00 55.95 58.00 2k43 s SER 131 Cb -0.37 -2.19 0.16 0.00 -1.71 0.00 0.00 66.02 61.92 2k43 s SER 131 CO 0.30 -0.35 1.25 -0.44 1.20 0.00 0.00 173.24 175.19 2k43 s SER 132 N -3.54 6.89 0.00 5.45 0.01 -1.26 -3.58 113.70 117.67 2k43 s SER 132 Ca 0.46 -2.63 0.00 0.00 1.31 0.00 0.00 55.95 55.08 2k43 s SER 132 Cb -0.10 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2k43 s SER 132 CO 0.35 -0.83 0.39 -0.67 0.41 0.00 0.00 173.24 172.88