#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 3.96 0.28 2.98 -2.85 -0.82 -4.66 119.74 118.63 2k43 s LYS 2 Ca 0.00 0.46 0.00 0.00 -1.00 0.00 0.00 55.97 55.43 2k43 s LYS 2 Cb 0.00 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.58 2k43 s LYS 2 CO 0.00 0.66 0.00 1.63 0.10 0.00 0.00 175.35 177.74 2k43 n LYS 3 N 1.66 0.00 -3.24 1.78 5.02 -1.26 -4.96 118.16 117.16 2k43 n LYS 3 Ca -0.12 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.79 2k43 n LYS 3 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.47 2k43 n LYS 3 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k43 s PRO 4 N -2.00 4.19 0.35 1.97 0.04 -1.26 -4.58 135.00 133.71 2k43 s PRO 4 Ca 0.00 0.74 0.04 0.00 0.04 0.00 0.00 61.00 61.83 2k43 s PRO 4 Cb 0.00 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 2k43 s PRO 4 CO 0.00 0.57 0.51 0.15 0.04 0.00 0.00 177.00 178.27 2k43 s LYS 5 N -1.40 3.17 -0.08 4.56 1.02 0.21 -2.45 119.74 124.76 2k43 s LYS 5 Ca 0.33 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.41 2k43 s LYS 5 Cb -0.19 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 2k43 s LYS 5 CO 0.20 0.04 0.23 -1.17 -0.92 0.00 0.00 175.35 173.73 2k43 s LEU 6 N -4.25 4.41 -0.88 3.17 1.98 0.16 -1.85 118.68 121.43 2k43 s LEU 6 Ca 0.44 0.62 -0.18 0.00 -2.89 0.00 0.00 54.13 52.12 2k43 s LEU 6 Cb -0.10 -2.25 0.14 0.00 0.66 0.00 0.00 46.19 44.64 2k43 s LEU 6 CO 0.33 0.36 1.04 -0.22 -1.89 0.00 0.00 176.35 175.97 2k43 s LEU 7 N -0.95 5.29 -0.53 -0.68 0.20 -1.26 -2.95 118.68 117.79 2k43 s LEU 7 Ca 0.18 -2.04 -0.21 0.00 0.69 0.00 0.00 54.13 52.75 2k43 s LEU 7 Cb -0.14 -2.37 0.06 0.00 -0.43 0.00 0.00 46.19 43.32 2k43 s LEU 7 CO 0.07 -1.02 0.74 -0.47 -0.29 0.00 0.00 176.35 175.38 2k43 s TYR 8 N 2.39 2.95 0.46 5.38 5.04 -0.96 -3.30 117.35 129.31 2k43 s TYR 8 Ca 0.29 -0.42 -0.19 0.00 -2.44 0.00 0.00 57.07 54.30 2k43 s TYR 8 Cb -0.07 -3.77 -0.10 0.00 0.35 0.00 0.00 41.96 38.37 2k43 s TYR 8 CO -0.07 -1.18 0.95 0.00 -1.34 0.00 0.00 175.55 173.91 2k43 s SER 10 N -2.53 6.94 -0.34 0.00 0.15 -1.13 -4.43 113.70 112.36 2k43 s SER 10 Ca 0.60 2.44 -0.29 0.00 0.70 0.00 0.00 55.95 59.40 2k43 s SER 10 Cb -0.09 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 2k43 s SER 10 CO 0.20 -0.45 1.25 0.54 1.20 0.00 0.00 173.24 175.98 2k43 s ASN 11 N -0.10 6.68 0.00 5.45 2.20 -1.26 -4.73 114.94 123.18 2k43 s ASN 11 Ca 0.52 1.03 0.00 0.00 -0.94 0.00 0.00 52.86 53.48 2k43 s ASN 11 Cb -0.36 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.35 2k43 s ASN 11 CO 0.42 -1.11 0.00 0.61 -2.94 0.00 0.00 177.10 174.09 2k43 n GLY 12 N 4.39 1.00 0.00 0.45 0.00 -1.26 -5.15 105.19 104.62 2k43 n GLY 12 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 4.91 3.54 -0.02 0.00 -1.26 -4.96 105.19 107.40 2k43 n GLY 13 Ca 0.00 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 2k43 n GLY 13 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k43 s HIS 14 N -0.96 2.30 0.17 1.61 -3.43 -1.23 -4.79 115.29 108.96 2k43 s HIS 14 Ca 0.00 -0.70 -0.18 0.00 -0.80 0.00 0.00 55.06 53.39 2k43 s HIS 14 Cb 0.00 -1.50 -0.08 0.00 -1.43 0.00 0.00 32.58 29.58 2k43 s HIS 14 CO 0.00 0.36 0.64 -0.06 -2.00 0.00 0.00 174.74 173.68 2k43 s PHE 15 N -2.85 3.66 -0.26 0.38 0.08 0.82 -3.44 117.98 116.36 2k43 s PHE 15 Ca 0.34 1.25 -0.29 0.00 0.12 0.00 0.00 56.93 58.35 2k43 s PHE 15 Cb 0.07 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.02 2k43 s PHE 15 CO 0.16 0.41 1.04 -1.17 -0.10 0.00 0.00 175.22 175.56 2k43 s LEU 16 N -1.85 4.04 0.09 -0.37 2.96 -1.21 0.88 118.68 123.23 2k43 s LEU 16 Ca 0.39 1.25 0.06 0.00 -0.22 0.00 0.00 54.13 55.61 2k43 s LEU 16 Cb -0.16 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 2k43 s LEU 16 CO 0.20 -0.74 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.74 2k43 s ARG 17 N 3.34 0.96 -0.02 1.98 3.52 0.17 -4.57 118.95 124.32 2k43 s ARG 17 Ca 0.44 -1.09 -0.16 0.00 -0.13 0.00 0.00 55.73 54.79 2k43 s ARG 17 Cb -0.14 -1.00 -0.05 0.00 -1.56 0.00 0.00 34.95 32.20 2k43 s ARG 17 CO 0.09 0.22 0.44 0.96 -0.81 0.00 0.00 175.30 176.20 2k43 s ILE 18 N -1.49 5.03 0.09 4.11 -4.36 -1.16 -1.23 121.20 122.19 2k43 s ILE 18 Ca 0.03 0.91 0.07 0.00 -0.26 0.00 0.00 60.65 61.40 2k43 s ILE 18 Cb -0.09 -3.76 -0.04 0.00 1.25 0.00 0.00 42.46 39.82 2k43 s ILE 18 CO 0.03 0.51 -0.11 -0.76 0.24 0.00 0.00 174.94 174.85 2k43 s LEU 19 N -0.62 3.01 0.00 0.37 1.02 -0.17 -4.97 118.68 117.32 2k43 s LEU 19 Ca 0.25 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.04 2k43 s LEU 19 Cb -0.17 -1.80 0.10 0.00 0.02 0.00 0.00 46.19 44.35 2k43 s LEU 19 CO 0.13 0.19 0.75 -2.65 0.02 0.00 0.00 176.35 174.80 2k43 n PRO 20 N 0.84 0.68 0.00 1.29 -0.02 -1.26 -1.62 135.00 134.90 2k43 n PRO 20 Ca -0.14 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.47 2k43 n PRO 20 Cb 0.52 -1.04 0.30 0.00 -0.02 0.00 0.00 33.50 33.26 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 -0.54 1.04 0.00 2.55 8.00 -1.26 -4.93 116.55 121.41 2k43 n ASP 21 Ca 0.01 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.67 2k43 n ASP 21 Cb 0.01 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 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 1.38 1.07 3.54 0.44 0.00 -0.64 -5.09 105.19 105.89 2k43 n GLY 22 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 3.41 -0.32 2.61 2.01 -1.19 -2.29 115.64 117.87 2k43 s THR 23 Ca 0.00 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.39 2k43 s THR 23 Cb 0.00 -2.38 0.07 0.00 0.01 0.00 0.00 72.50 70.20 2k43 s THR 23 CO 0.00 0.58 0.03 0.54 -0.69 0.00 0.00 174.62 175.08 2k43 s VAL 24 N -0.79 2.81 0.10 3.82 0.11 -1.10 -1.00 120.40 124.36 2k43 s VAL 24 Ca 0.12 -1.71 0.06 0.00 -2.93 0.00 0.00 61.98 57.52 2k43 s VAL 24 Cb -0.11 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 2k43 s VAL 24 CO 0.01 -0.29 -0.16 -1.81 -3.33 0.00 0.00 175.10 169.52 2k43 s ASP 25 N 1.29 2.04 0.27 3.54 1.11 -0.37 -3.49 116.67 121.06 2k43 s ASP 25 Ca -0.01 -0.71 -0.30 0.00 0.18 0.00 0.00 52.55 51.71 2k43 s ASP 25 Cb -0.20 -0.08 -0.10 0.00 1.07 0.00 0.00 42.92 43.60 2k43 s ASP 25 CO -0.03 -0.07 1.48 -0.83 1.18 0.00 0.00 175.17 176.90 2k43 s GLY 26 N -2.08 2.31 -0.09 0.21 0.00 -0.82 0.44 107.32 107.29 2k43 s GLY 26 Ca 0.05 1.40 -0.18 0.00 0.00 0.00 0.00 44.72 45.99 2k43 s GLY 26 CO 0.03 2.34 0.43 -1.59 0.00 0.00 0.00 173.10 174.32 2k43 s THR 27 N -0.08 0.02 -0.48 0.90 2.01 0.25 -4.68 115.64 113.59 2k43 s THR 27 Ca 0.60 -0.18 -0.18 0.00 0.31 0.00 0.00 61.69 62.24 2k43 s THR 27 Cb -0.44 -0.68 0.06 0.00 0.01 0.00 0.00 72.50 71.45 2k43 s THR 27 CO 0.45 -0.10 0.53 0.00 -0.69 0.00 0.00 174.62 174.81 2k43 s ARG 28 N -0.59 3.08 -0.22 4.92 1.70 -1.26 -0.13 118.95 126.45 2k43 s ARG 28 Ca -0.07 -0.99 -0.04 0.00 -0.47 0.00 0.00 55.73 54.17 2k43 s ARG 28 Cb -0.03 -4.08 0.11 0.00 -0.57 0.00 0.00 34.95 30.38 2k43 s ARG 28 CO 0.03 -1.10 0.33 0.34 -1.08 0.00 0.00 175.30 173.83 2k43 s ASP 29 N 2.50 0.52 -0.06 -2.89 2.15 -1.26 -4.96 116.67 112.66 2k43 s ASP 29 Ca 0.12 0.19 0.09 0.00 0.43 0.00 0.00 52.55 53.38 2k43 s ASP 29 Cb -0.20 0.90 0.14 0.00 -0.30 0.00 0.00 42.92 43.46 2k43 s ASP 29 CO 0.11 -0.30 1.04 -2.11 -0.17 0.00 0.00 175.17 173.74 2k43 n ARG 30 N 5.35 1.02 0.11 4.34 0.00 -1.26 -4.54 116.66 121.68 2k43 n ARG 30 Ca -0.05 -1.81 0.07 0.00 -0.00 0.00 0.00 57.85 56.06 2k43 n ARG 30 Cb 0.50 -1.06 0.01 0.00 -0.00 0.00 0.00 32.46 31.91 2k43 n ARG 30 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2k43 h SER 31 N 0.00 0.00 -4.22 2.89 0.02 -2.03 -3.47 113.55 106.75 2k43 h SER 31 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 2k43 h SER 31 Cb 1.06 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.52 2k43 h SER 31 CO 0.00 0.21 -0.29 -0.67 -1.14 0.00 0.00 176.83 174.94 2k43 n ASP 32 N -2.87 2.79 -4.07 3.07 -0.08 -1.26 -5.08 116.55 109.06 2k43 n ASP 32 Ca -0.02 -2.35 -0.40 0.00 -1.51 0.00 0.00 54.79 50.51 2k43 n ASP 32 Cb 0.65 0.23 -0.03 0.00 2.34 0.00 0.00 41.12 44.31 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 -0.76 3.42 0.00 -0.67 10.64 -1.26 -4.60 117.38 124.14 2k43 n GLN 33 Ca -0.13 -4.52 0.00 0.00 -1.83 0.00 0.00 57.00 50.53 2k43 n GLN 33 Cb 0.39 -2.46 0.00 0.00 -0.86 0.00 0.00 30.24 27.31 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 1.95 0.00 0.88 2.61 8.25 -1.26 -4.60 115.22 123.05 2k43 n HIS 34 Ca 0.25 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.80 2k43 n HIS 34 Cb 0.37 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.76 2k43 n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2k43 n ILE 35 N -1.34 0.38 -3.19 1.59 -0.00 -1.26 -2.99 119.36 112.55 2k43 n ILE 35 Ca 0.00 -0.49 -0.45 0.00 -0.00 0.00 0.00 62.75 61.81 2k43 n ILE 35 Cb 0.26 0.44 -0.05 0.00 -0.00 0.00 0.00 39.64 40.28 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 -1.62 3.04 -0.08 6.28 0.00 -1.26 -4.54 119.66 121.48 2k43 s GLN 36 Ca 0.32 -1.30 -0.00 0.00 -0.00 0.00 0.00 55.36 54.38 2k43 s GLN 36 Cb 0.17 -4.22 -0.03 0.00 0.00 0.00 0.00 33.01 28.93 2k43 s GLN 36 CO 0.25 -1.37 -0.05 -0.48 0.00 0.00 0.00 175.29 173.63 2k43 s LEU 37 N 2.35 3.27 -0.49 2.60 0.05 -0.77 -3.03 118.68 122.67 2k43 s LEU 37 Ca 0.10 0.01 -0.20 0.00 0.05 0.00 0.00 54.13 54.08 2k43 s LEU 37 Cb -0.24 -1.73 0.04 0.00 -2.05 0.00 0.00 46.19 42.21 2k43 s LEU 37 CO 0.07 0.34 0.66 -1.58 -0.55 0.00 0.00 176.35 175.29 2k43 s GLN 38 N -0.69 3.19 -0.50 1.48 -0.44 0.17 0.67 119.66 123.53 2k43 s GLN 38 Ca 0.11 -0.66 -0.05 0.00 -2.50 0.00 0.00 55.36 52.26 2k43 s GLN 38 Cb -0.11 -4.04 0.13 0.00 -1.64 0.00 0.00 33.01 27.34 2k43 s GLN 38 CO 0.02 -1.17 0.33 -0.51 0.50 0.00 0.00 175.29 174.46 2k43 s LEU 39 N 2.81 5.40 0.27 3.68 1.43 -1.26 -1.86 118.68 129.14 2k43 s LEU 39 Ca 0.19 -2.29 0.09 0.00 -1.03 0.00 0.00 54.13 51.08 2k43 s LEU 39 Cb -0.17 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2k43 s LEU 39 CO 0.15 -0.52 0.08 -0.44 0.23 0.00 0.00 176.35 175.85 2k43 s SER 40 N 1.66 4.90 -0.43 2.29 0.01 -1.14 -4.93 113.70 116.06 2k43 s SER 40 Ca 0.11 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 2k43 s SER 40 Cb -0.22 -1.04 0.12 0.00 0.21 0.00 0.00 66.02 65.09 2k43 s SER 40 CO -0.03 -0.03 0.20 0.00 0.41 0.00 0.00 173.24 173.78 2k43 s ALA 41 N -2.26 3.16 -0.22 1.44 0.00 -1.26 -0.81 121.76 121.80 2k43 s ALA 41 Ca 0.32 -2.72 0.10 0.00 0.00 0.00 0.00 51.96 49.66 2k43 s ALA 41 Cb -0.07 -2.29 -0.21 0.00 0.00 0.00 0.00 23.12 20.55 2k43 s ALA 41 CO 0.22 -1.84 -0.07 0.39 0.00 0.00 0.00 175.76 174.46 2k43 n GLU 42 N 4.17 0.70 -4.16 0.00 1.02 -1.15 -4.92 120.64 116.30 2k43 n GLU 42 Ca 0.02 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 57.00 2k43 n GLU 42 Cb 0.40 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.26 2k43 n GLU 42 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k43 s SER 43 N -5.93 5.26 -0.08 1.62 0.01 -1.24 -5.03 113.70 108.32 2k43 s SER 43 Ca -0.21 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 2k43 s SER 43 Cb 0.07 -1.26 -0.08 0.00 0.21 0.00 0.00 66.02 64.96 2k43 s SER 43 CO 0.70 -0.02 2.06 1.33 0.41 0.00 0.00 173.24 177.72 2k43 n VAL 44 N -1.04 0.58 -0.91 3.43 0.24 -1.26 -1.17 118.33 118.21 2k43 n VAL 44 Ca -0.08 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2k43 n VAL 44 Cb 0.58 -2.31 0.00 0.00 -1.47 0.00 0.00 33.84 30.64 2k43 n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k43 n GLY 45 N 5.02 0.68 3.52 7.63 0.00 -1.26 -4.97 105.19 115.82 2k43 n GLY 45 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 2k43 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k43 s GLU 46 N -0.29 3.21 0.02 1.61 2.56 -0.32 0.48 118.70 125.97 2k43 s GLU 46 Ca 0.00 -0.55 0.08 0.00 0.00 0.00 0.00 54.97 54.50 2k43 s GLU 46 Cb 0.00 -2.73 -0.02 0.00 2.00 0.00 0.00 34.13 33.38 2k43 s GLU 46 CO 0.00 0.44 -0.25 0.14 -0.56 0.00 0.00 175.26 175.03 2k43 s VAL 47 N -0.19 1.98 -0.17 3.70 -7.23 -0.78 -2.91 120.40 114.81 2k43 s VAL 47 Ca 0.03 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2k43 s VAL 47 Cb -0.13 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.14 2k43 s VAL 47 CO 0.03 0.42 -0.16 -0.47 -0.31 0.00 0.00 175.10 174.61 2k43 s TYR 48 N -0.71 2.79 -0.49 2.82 5.04 0.01 -2.83 117.35 123.99 2k43 s TYR 48 Ca 0.10 -1.26 -0.13 0.00 -2.44 0.00 0.00 57.07 53.34 2k43 s TYR 48 Cb -0.10 -1.92 0.11 0.00 0.35 0.00 0.00 41.96 40.40 2k43 s TYR 48 CO 0.01 -0.61 0.40 0.42 -1.34 0.00 0.00 175.55 174.43 2k43 s ILE 49 N 1.07 4.80 0.16 3.14 1.01 -1.26 -2.88 121.20 127.24 2k43 s ILE 49 Ca -0.01 -1.46 0.10 0.00 0.00 0.00 0.00 60.65 59.29 2k43 s ILE 49 Cb -0.14 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2k43 s ILE 49 CO -0.05 -0.72 -0.22 -1.59 0.00 0.00 0.00 174.94 172.36 2k43 s LYS 50 N 1.52 1.37 0.28 2.79 -2.85 -0.78 -4.66 119.74 117.41 2k43 s LYS 50 Ca 0.04 -1.41 -0.28 0.00 -1.00 0.00 0.00 55.97 53.32 2k43 s LYS 50 Cb -0.27 -1.62 -0.09 0.00 -2.06 0.00 0.00 37.83 33.79 2k43 s LYS 50 CO 0.03 0.35 0.97 -1.12 0.10 0.00 0.00 175.35 175.68 2k43 s SER 51 N -2.48 7.44 0.00 0.03 0.01 -1.23 0.44 113.70 117.91 2k43 s SER 51 Ca 0.16 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.37 2k43 s SER 51 Cb -0.08 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2k43 s SER 51 CO 0.07 0.00 0.00 0.41 0.41 0.00 0.00 173.24 174.14 2k43 n THR 52 N 1.02 0.00 -0.10 1.44 -1.04 -1.21 -4.73 114.28 109.66 2k43 n THR 52 Ca -0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 2k43 n THR 52 Cb 0.48 -0.21 -0.12 0.00 -1.82 0.00 0.00 70.33 68.66 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 0.63 -0.44 -2.82 2.13 -1.26 -4.67 120.64 114.20 2k43 n GLU 53 Ca 0.00 0.34 0.07 0.00 0.66 0.00 0.00 57.16 58.23 2k43 n GLU 53 Cb 0.00 -1.62 0.23 0.00 0.27 0.00 0.00 31.44 30.32 2k43 n GLU 53 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2k43 n THR 54 N -3.97 2.27 -0.00 6.31 -1.04 -1.26 -4.89 114.28 111.70 2k43 n THR 54 Ca -0.41 -2.07 -0.02 0.00 -2.04 0.00 0.00 64.05 59.51 2k43 n THR 54 Cb 0.88 -0.26 -0.11 0.00 -1.82 0.00 0.00 70.33 69.01 2k43 n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k43 n GLY 55 N -0.74 -1.12 0.00 3.41 0.00 -1.17 -4.45 105.19 101.12 2k43 n GLY 55 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k43 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k43 n GLN 56 N -2.84 0.00 -3.02 1.61 10.64 -1.24 -4.00 117.38 118.52 2k43 n GLN 56 Ca -0.14 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.59 2k43 n GLN 56 Cb 0.90 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 30.27 2k43 n GLN 56 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.06 174.76 2k43 s TYR 57 N -0.80 3.48 -0.58 2.61 5.04 -0.93 -3.54 117.35 122.64 2k43 s TYR 57 Ca 0.00 -1.92 -0.28 0.00 -2.44 0.00 0.00 57.07 52.43 2k43 s TYR 57 Cb 0.00 -4.20 0.02 0.00 0.35 0.00 0.00 41.96 38.13 2k43 s TYR 57 CO 0.00 -1.34 1.40 -1.17 -1.34 0.00 0.00 175.55 173.10 2k43 s LEU 58 N 1.50 3.38 -0.42 6.97 0.20 -1.23 -2.83 118.68 126.25 2k43 s LEU 58 Ca 0.35 0.21 -0.10 0.00 0.69 0.00 0.00 54.13 55.28 2k43 s LEU 58 Cb -0.05 -3.01 0.07 0.00 -0.43 0.00 0.00 46.19 42.77 2k43 s LEU 58 CO -0.05 -1.72 0.27 0.00 -0.29 0.00 0.00 176.35 174.55 2k43 s ALA 59 N 6.03 3.32 -0.11 5.97 0.00 -1.03 -1.65 121.76 134.28 2k43 s ALA 59 Ca 0.50 -2.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.12 2k43 s ALA 59 Cb -0.10 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 2k43 s ALA 59 CO 0.24 -1.62 0.89 1.41 0.00 0.00 0.00 175.76 176.68 2k43 s MET 60 N 1.47 4.39 -0.18 0.00 1.75 -1.23 -2.06 119.30 123.45 2k43 s MET 60 Ca 0.03 1.17 0.01 0.00 -1.25 0.00 0.00 55.69 55.65 2k43 s MET 60 Cb -0.23 -3.53 0.02 0.00 2.84 0.00 0.00 34.83 33.94 2k43 s MET 60 CO 0.03 -0.23 -0.20 0.34 -0.65 0.00 0.00 175.02 174.32 2k43 s ASP 61 N 1.06 3.09 0.00 1.11 -1.08 -1.04 -4.76 116.67 115.06 2k43 s ASP 61 Ca 0.43 -0.63 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 2k43 s ASP 61 Cb -0.18 -1.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.83 2k43 s ASP 61 CO 0.17 -0.00 0.00 0.41 0.52 0.00 0.00 175.17 176.27 2k43 n THR 62 N 4.60 0.00 0.00 1.71 -1.04 -1.26 -1.82 114.28 116.47 2k43 n THR 62 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2k43 n THR 62 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 1.02 0.00 -0.00 8.00 -0.08 -1.26 -4.60 116.55 119.63 2k43 n ASP 63 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 2k43 n ASP 63 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2k43 n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k43 n GLY 64 N 0.00 0.05 3.64 0.27 0.00 -0.76 -4.52 105.19 103.88 2k43 n GLY 64 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2k43 n GLY 64 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k43 s LEU 65 N -2.64 0.10 -0.03 0.99 2.34 -1.24 0.86 118.68 119.07 2k43 s LEU 65 Ca 0.02 -0.70 -0.00 0.00 0.06 0.00 0.00 54.13 53.51 2k43 s LEU 65 Cb 0.07 2.14 0.03 0.00 -0.56 0.00 0.00 46.19 47.86 2k43 s LEU 65 CO 0.37 -1.16 0.01 -1.48 -1.06 0.00 0.00 176.35 173.03 2k43 s LEU 66 N -2.94 1.02 0.26 1.48 2.34 -1.26 -2.48 118.68 117.09 2k43 s LEU 66 Ca 0.15 -0.01 0.08 0.00 0.06 0.00 0.00 54.13 54.41 2k43 s LEU 66 Cb -0.02 -0.20 -0.04 0.00 -0.56 0.00 0.00 46.19 45.37 2k43 s LEU 66 CO 0.05 -0.13 0.11 -0.31 -1.06 0.00 0.00 176.35 175.01 2k43 s TYR 67 N 1.20 2.92 -0.30 3.48 1.51 -0.87 -4.64 117.35 120.66 2k43 s TYR 67 Ca -0.07 -0.16 -0.13 0.00 -1.01 0.00 0.00 57.07 55.69 2k43 s TYR 67 Cb -0.13 -1.31 0.14 0.00 -0.11 0.00 0.00 41.96 40.54 2k43 s TYR 67 CO -0.02 0.56 0.82 0.20 -1.11 0.00 0.00 175.55 176.00 2k43 s GLY 68 N -3.77 -0.42 0.35 0.71 0.00 -0.97 -2.47 107.32 100.75 2k43 s GLY 68 Ca 0.32 2.72 0.00 0.00 0.00 0.00 0.00 44.72 47.76 2k43 s GLY 68 CO 0.23 2.98 0.00 1.44 0.00 0.00 0.00 173.10 177.74 2k43 n SER 69 N 4.89 -1.54 -0.04 1.64 7.64 -1.13 -2.69 113.62 122.38 2k43 n SER 69 Ca -0.13 0.63 -0.21 0.00 1.01 0.00 0.00 58.87 60.17 2k43 n SER 69 Cb 0.53 1.59 -0.13 0.00 -1.01 0.00 0.00 64.21 65.19 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 0.15 -4.98 1.43 1.08 -1.84 -3.08 115.11 107.86 2k43 h GLN 70 Ca 0.00 -0.25 -0.54 0.00 -1.45 0.00 0.00 58.65 56.41 2k43 h GLN 70 Cb 0.00 0.09 -0.13 0.00 -0.05 0.00 0.00 27.48 27.39 2k43 h GLN 70 CO 0.00 1.12 -0.50 0.95 -0.95 0.00 0.00 178.83 179.45 2k43 s THR 71 N -2.44 0.37 -0.35 -0.54 -4.23 -1.26 -4.68 115.64 102.50 2k43 s THR 71 Ca -0.24 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.28 2k43 s THR 71 Cb 0.05 -2.37 0.09 0.00 1.34 0.00 0.00 72.50 71.61 2k43 s THR 71 CO 0.70 0.00 0.08 -2.16 -0.54 0.00 0.00 174.62 172.70 2k43 s PRO 72 N -3.61 1.89 0.47 3.99 0.04 -1.26 -2.18 135.00 134.34 2k43 s PRO 72 Ca 0.29 -1.71 0.02 0.00 0.04 0.00 0.00 61.00 59.64 2k43 s PRO 72 Cb 0.02 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 31.27 2k43 s PRO 72 CO 0.19 -0.90 0.67 1.21 0.04 0.00 0.00 177.00 178.21 2k43 s ASN 73 N 1.30 5.62 -0.66 6.66 3.84 -1.26 -4.98 114.94 125.46 2k43 s ASN 73 Ca 0.05 0.05 -0.14 0.00 0.21 0.00 0.00 52.86 53.03 2k43 s ASN 73 Cb -0.21 -1.16 0.17 0.00 -0.55 0.00 0.00 41.25 39.50 2k43 s ASN 73 CO -0.05 -0.84 0.60 -1.61 -2.79 0.00 0.00 177.10 172.40 2k43 s GLU 74 N -4.57 3.18 0.00 0.43 2.02 -1.26 -2.33 118.70 116.17 2k43 s GLU 74 Ca 0.52 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 53.43 2k43 s GLU 74 Cb -0.10 -4.29 0.00 0.00 0.10 0.00 0.00 34.13 29.84 2k43 s GLU 74 CO 0.37 -1.29 0.00 0.39 0.02 0.00 0.00 175.26 174.74 2k43 n GLU 75 N 4.59 4.82 0.28 1.61 -0.58 -1.26 -4.86 120.64 125.23 2k43 n GLU 75 Ca -0.01 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.91 2k43 n GLU 75 Cb 0.43 -0.56 0.74 0.00 -0.57 0.00 0.00 31.44 31.49 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 -6.11 4.56 0.11 0.00 0.05 -1.26 -4.31 118.68 111.72 2k43 s LEU 77 Ca 0.01 1.44 0.01 0.00 0.05 0.00 0.00 54.13 55.63 2k43 s LEU 77 Cb 0.09 -3.09 -0.04 0.00 -2.05 0.00 0.00 46.19 41.10 2k43 s LEU 77 CO 0.52 0.24 -0.02 -0.36 -0.55 0.00 0.00 176.35 176.18 2k43 s PHE 78 N -1.14 0.89 0.03 3.48 0.08 -1.13 -3.79 117.98 116.41 2k43 s PHE 78 Ca 0.32 -1.03 -0.22 0.00 0.12 0.00 0.00 56.93 56.12 2k43 s PHE 78 Cb -0.21 -0.53 -0.06 0.00 -0.57 0.00 0.00 43.02 41.65 2k43 s PHE 78 CO 0.22 -0.28 0.66 -1.17 -0.10 0.00 0.00 175.22 174.56 2k43 s LEU 79 N -3.05 4.45 -0.21 -0.37 0.20 0.30 -1.86 118.68 118.14 2k43 s LEU 79 Ca 0.16 1.30 -0.14 0.00 0.69 0.00 0.00 54.13 56.14 2k43 s LEU 79 Cb 0.06 -3.05 -0.04 0.00 -0.43 0.00 0.00 46.19 42.73 2k43 s LEU 79 CO -0.02 0.10 0.32 -0.70 -0.29 0.00 0.00 176.35 175.76 2k43 s GLU 80 N -0.31 4.15 -0.27 1.98 -6.30 0.18 0.59 118.70 118.71 2k43 s GLU 80 Ca 0.34 0.06 0.01 0.00 -2.50 0.00 0.00 54.97 52.88 2k43 s GLU 80 Cb -0.19 -3.53 0.08 0.00 0.00 0.00 0.00 34.13 30.48 2k43 s GLU 80 CO 0.20 0.00 -0.00 0.50 0.02 0.00 0.00 175.26 175.98 2k43 s ARG 81 N 1.20 1.38 -0.17 4.30 3.52 -0.38 -4.83 118.95 123.98 2k43 s ARG 81 Ca 0.16 -1.15 -0.16 0.00 -0.13 0.00 0.00 55.73 54.45 2k43 s ARG 81 Cb -0.14 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.64 2k43 s ARG 81 CO 0.07 -0.74 0.38 -0.48 -0.81 0.00 0.00 175.30 173.72 2k43 s LEU 82 N 1.37 4.22 0.38 -0.88 0.05 -1.26 -0.15 118.68 122.41 2k43 s LEU 82 Ca 0.01 0.58 -0.14 0.00 0.05 0.00 0.00 54.13 54.63 2k43 s LEU 82 Cb -0.18 -2.51 -0.08 0.00 -2.05 0.00 0.00 46.19 41.37 2k43 s LEU 82 CO -0.10 0.01 0.80 -1.61 -0.55 0.00 0.00 176.35 174.89 2k43 s GLU 83 N 0.83 3.95 -0.10 1.48 0.41 -0.03 -4.92 118.70 120.33 2k43 s GLU 83 Ca 0.20 0.69 0.09 0.00 -0.41 0.00 0.00 54.97 55.54 2k43 s GLU 83 Cb -0.14 -2.36 0.43 0.00 -1.78 0.00 0.00 34.13 30.28 2k43 s GLU 83 CO 0.07 0.03 1.23 0.39 -0.49 0.00 0.00 175.26 176.49 2k43 n GLU 84 N -0.81 2.85 -1.05 1.61 1.02 -1.26 -2.95 120.64 120.05 2k43 n GLU 84 Ca 0.04 -1.69 -0.23 0.00 -0.02 0.00 0.00 57.16 55.26 2k43 n GLU 84 Cb 0.54 -1.76 0.10 0.00 -0.02 0.00 0.00 31.44 30.29 2k43 n GLU 84 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2k43 n ASN 85 N 0.45 5.43 -3.41 1.62 5.15 -1.26 -4.86 115.26 118.39 2k43 n ASN 85 Ca 0.15 -3.37 -0.21 0.00 -0.60 0.00 0.00 54.58 50.55 2k43 n ASN 85 Cb 0.66 -0.89 0.08 0.00 -0.53 0.00 0.00 39.78 39.10 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2k43 n HIS 86 N -0.58 -2.58 -3.85 1.20 8.25 -1.23 -5.03 115.22 111.41 2k43 n HIS 86 Ca 0.48 0.95 -0.11 0.00 -0.26 0.00 0.00 57.72 58.78 2k43 n HIS 86 Cb 1.01 -4.87 -0.09 0.00 1.12 0.00 0.00 29.99 27.15 2k43 n HIS 86 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k43 s TYR 87 N -3.31 0.01 0.00 4.41 2.02 -1.15 -4.99 117.35 114.33 2k43 s TYR 87 Ca 0.41 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 57.05 2k43 s TYR 87 Cb -0.18 -0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.32 2k43 s TYR 87 CO 0.69 -0.32 -0.05 0.54 -1.57 0.00 0.00 175.55 174.84 2k43 s ASN 88 N -1.46 4.75 0.31 2.29 4.22 -0.68 -0.85 114.94 123.53 2k43 s ASN 88 Ca -0.14 -0.11 0.06 0.00 -2.14 0.00 0.00 52.86 50.54 2k43 s ASN 88 Cb -0.07 -1.14 -0.06 0.00 1.28 0.00 0.00 41.25 41.26 2k43 s ASN 88 CO 0.01 0.28 -0.03 -0.89 -2.04 0.00 0.00 177.10 174.44 2k43 s THR 89 N -1.02 1.66 0.11 0.54 2.01 0.79 -1.58 115.64 118.14 2k43 s THR 89 Ca 0.18 -2.09 0.07 0.00 0.31 0.00 0.00 61.69 60.16 2k43 s THR 89 Cb -0.11 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 2k43 s THR 89 CO 0.08 -0.18 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.34 2k43 s TYR 90 N -2.99 1.63 0.07 4.92 2.02 -1.23 -1.25 117.35 120.53 2k43 s TYR 90 Ca 0.32 -0.45 0.09 0.00 -0.37 0.00 0.00 57.07 56.67 2k43 s TYR 90 Cb 0.06 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 2k43 s TYR 90 CO 0.14 0.19 -0.24 -1.50 -1.57 0.00 0.00 175.55 172.56 2k43 s ILE 91 N -1.42 2.36 -0.54 2.71 1.10 0.20 0.04 121.20 125.64 2k43 s ILE 91 Ca 0.06 -1.46 -0.25 0.00 -0.51 0.00 0.00 60.65 58.48 2k43 s ILE 91 Cb -0.09 -1.98 0.04 0.00 0.15 0.00 0.00 42.46 40.58 2k43 s ILE 91 CO 0.04 0.26 1.00 -0.55 -2.11 0.00 0.00 174.94 173.58 2k43 s SER 92 N -1.58 6.39 0.00 4.50 0.15 -0.93 -0.54 113.70 121.68 2k43 s SER 92 Ca 0.13 -0.18 0.23 0.00 0.70 0.00 0.00 55.95 56.83 2k43 s SER 92 Cb -0.10 -2.46 1.11 0.00 -1.71 0.00 0.00 66.02 62.86 2k43 s SER 92 CO 0.04 -1.26 1.74 0.29 1.20 0.00 0.00 173.24 175.26 2k43 n LYS 93 N 7.64 0.26 0.00 5.44 5.02 -1.25 -0.47 118.16 134.80 2k43 n LYS 93 Ca 0.04 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2k43 n LYS 93 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.33 0.00 -2.57 1.97 0.00 -1.26 -3.35 118.16 111.63 2k43 n LYS 94 Ca 0.10 0.08 -0.40 0.00 0.00 0.00 0.00 58.31 58.09 2k43 n LYS 94 Cb 0.20 -0.85 0.02 0.00 0.00 0.00 0.00 35.03 34.40 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 -0.43 2.86 -0.37 5.64 1.44 -1.23 -4.81 115.22 118.32 2k43 n HIS 95 Ca 0.00 -2.60 0.28 0.00 -2.01 0.00 0.00 57.72 53.39 2k43 n HIS 95 Cb 0.00 -1.16 0.56 0.00 0.12 0.00 0.00 29.99 29.51 2k43 n HIS 95 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k43 h ALA 96 N 4.00 2.38 -0.18 1.59 0.00 -0.78 0.13 119.26 126.40 2k43 h ALA 96 Ca 0.52 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.59 2k43 h ALA 96 Cb 0.30 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k43 h ALA 96 CO 1.19 -0.90 0.20 1.05 0.00 0.00 0.00 179.25 180.79 2k43 h GLU 97 N 0.27 0.00 -0.01 0.00 4.11 -1.87 -1.16 114.58 115.91 2k43 h GLU 97 Ca 0.70 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.13 2k43 h GLU 97 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2k43 h GLU 97 CO -0.39 0.00 -0.23 1.63 0.07 0.00 0.00 179.01 180.09 2k43 n LYS 98 N -3.84 1.22 -1.08 1.06 4.76 0.44 -4.95 118.16 115.78 2k43 n LYS 98 Ca 0.02 -0.83 -0.03 0.00 -2.87 0.00 0.00 58.31 54.60 2k43 n LYS 98 Cb 0.32 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 2k43 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2k43 n ASN 99 N -0.17 -3.32 -4.79 4.39 5.15 -0.44 -5.00 115.26 111.07 2k43 n ASN 99 Ca 0.13 0.07 -0.34 0.00 -0.60 0.00 0.00 54.58 53.84 2k43 n ASN 99 Cb 0.40 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.59 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 -2.10 2.88 0.02 1.20 0.52 -1.26 -4.97 118.94 115.24 2k43 s TRP 100 Ca 0.00 1.54 -0.04 0.00 0.02 0.00 0.00 56.10 57.62 2k43 s TRP 100 Cb 0.00 -3.10 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 2k43 s TRP 100 CO 0.00 -1.20 0.25 -0.06 0.02 0.00 0.00 176.95 175.96 2k43 s PHE 101 N -2.18 3.55 -0.35 -1.98 0.40 -1.25 -2.19 117.98 113.99 2k43 s PHE 101 Ca 0.67 0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 57.34 2k43 s PHE 101 Cb -0.18 -1.91 -0.00 0.00 0.51 0.00 0.00 43.02 41.43 2k43 s PHE 101 CO 0.31 0.60 0.23 0.08 0.70 0.00 0.00 175.22 177.14 2k43 s VAL 102 N -1.37 5.05 0.03 -0.44 1.01 0.11 -4.68 120.40 120.10 2k43 s VAL 102 Ca 0.30 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2k43 s VAL 102 Cb -0.13 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2k43 s VAL 102 CO 0.19 -0.07 -0.08 -0.83 0.00 0.00 0.00 175.10 174.32 2k43 s GLY 103 N 1.67 0.46 0.04 4.51 0.00 -1.26 -3.50 107.32 109.25 2k43 s GLY 103 Ca 0.05 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.16 2k43 s GLY 103 CO 0.09 -0.66 -0.09 0.48 0.00 0.00 0.00 173.10 172.91 2k43 s LEU 104 N -1.20 2.23 -0.59 0.66 0.05 -1.10 -2.80 118.68 115.93 2k43 s LEU 104 Ca -0.06 -0.51 -0.19 0.00 0.05 0.00 0.00 54.13 53.41 2k43 s LEU 104 Cb -0.08 -0.27 0.09 0.00 -2.05 0.00 0.00 46.19 43.89 2k43 s LEU 104 CO 0.00 -0.14 0.72 -0.54 -0.55 0.00 0.00 176.35 175.85 2k43 s LYS 105 N -1.43 3.06 0.43 1.48 -0.14 0.68 -4.50 119.74 119.32 2k43 s LYS 105 Ca -0.07 -1.21 0.23 0.00 -1.36 0.00 0.00 55.97 53.57 2k43 s LYS 105 Cb -0.09 -4.24 0.88 0.00 -1.68 0.00 0.00 37.83 32.70 2k43 s LYS 105 CO 0.01 -1.53 1.81 -0.22 -0.76 0.00 0.00 175.35 174.66 2k43 h LYS 106 N 9.20 0.00 0.00 1.68 3.64 -1.85 1.34 116.57 130.58 2k43 h LYS 106 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2k43 h LYS 106 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2k43 h LYS 106 CO 1.09 0.25 0.00 -0.91 -2.27 0.00 0.00 179.45 177.61 2k43 h ASN 107 N 0.00 0.00 0.00 4.20 2.35 -1.87 -2.80 115.58 117.47 2k43 h ASN 107 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k43 h ASN 107 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2k43 h ASN 107 CO 0.03 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 2k43 n GLY 108 N 0.14 0.38 3.36 2.83 0.00 -0.46 -4.35 105.19 107.10 2k43 n GLY 108 Ca 0.02 0.00 -0.10 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 0.03 0.19 1.61 1.04 0.45 -1.95 113.70 116.07 2k43 s SER 109 Ca 0.00 -0.91 -0.30 0.00 0.48 0.00 0.00 55.95 55.22 2k43 s SER 109 Cb 0.00 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.50 2k43 s SER 109 CO 0.00 -0.93 1.04 0.00 0.98 0.00 0.00 173.24 174.34 2k43 s LYS 111 N -0.60 3.11 0.48 0.00 2.47 -1.12 -4.69 119.74 119.39 2k43 s LYS 111 Ca 0.47 -0.48 -0.01 0.00 -1.56 0.00 0.00 55.97 54.38 2k43 s LYS 111 Cb -0.28 -2.77 -0.00 0.00 -1.46 0.00 0.00 37.83 33.32 2k43 s LYS 111 CO 0.34 0.56 0.72 1.03 0.16 0.00 0.00 175.35 178.16 2k43 s ARG 112 N -0.50 3.04 0.47 4.03 1.81 -1.26 -4.42 118.95 122.12 2k43 s ARG 112 Ca 0.08 -0.38 0.19 0.00 -1.72 0.00 0.00 55.73 53.90 2k43 s ARG 112 Cb -0.12 -2.49 1.16 0.00 -0.45 0.00 0.00 34.95 33.05 2k43 s ARG 112 CO 0.02 -0.36 2.02 0.78 -0.68 0.00 0.00 175.30 177.08 2k43 h GLY 113 N 0.27 0.00 -0.02 -3.53 0.00 0.24 -0.60 103.07 99.43 2k43 h GLY 113 Ca -0.46 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.09 2k43 h GLY 113 CO 0.58 0.00 0.80 -2.55 0.00 0.00 0.00 176.54 175.37 2k43 h PRO 114 N 0.00 0.00 0.00 4.80 0.11 -1.93 -2.12 132.00 132.86 2k43 h PRO 114 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k43 h PRO 114 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2k43 h PRO 114 CO 0.02 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.35 2k43 n ARG 115 N -3.60 0.14 -2.62 1.05 5.12 -0.25 -4.90 116.66 111.59 2k43 n ARG 115 Ca 0.16 -0.78 -0.41 0.00 -1.93 0.00 0.00 57.85 54.89 2k43 n ARG 115 Cb 1.06 -0.99 -0.03 0.00 -1.16 0.00 0.00 32.46 31.33 2k43 n ARG 115 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2k43 s THR 116 N -0.28 3.98 -3.75 0.55 -4.23 -0.80 -3.92 115.64 107.19 2k43 s THR 116 Ca 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2k43 s THR 116 Cb 0.00 -4.95 0.00 0.00 1.34 0.00 0.00 72.50 68.89 2k43 s THR 116 CO 0.00 -1.82 0.00 1.57 -0.54 0.00 0.00 174.62 173.83 2k43 n HIS 117 N 8.69 0.00 -2.76 3.99 -0.00 -1.26 -3.76 115.22 120.13 2k43 n HIS 117 Ca 0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.47 2k43 n HIS 117 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.49 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 -2.12 3.13 -0.11 1.57 6.14 -1.26 -3.93 117.35 120.77 2k43 s TYR 118 Ca 0.00 -1.87 0.02 0.00 0.64 0.00 0.00 57.07 55.86 2k43 s TYR 118 Cb 0.00 -4.54 -0.08 0.00 0.42 0.00 0.00 41.96 37.76 2k43 s TYR 118 CO 0.00 -1.61 -0.08 0.41 0.64 0.00 0.00 175.55 174.91 2k43 n GLY 119 N 4.78 -0.20 3.06 8.97 0.00 -1.25 -5.07 105.19 115.48 2k43 n GLY 119 Ca 0.43 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.23 0.52 0.00 1.61 -0.21 -1.25 -5.02 119.66 113.08 2k43 s GLN 120 Ca -0.14 -0.76 0.21 0.00 0.02 0.00 0.00 55.36 54.68 2k43 s GLN 120 Cb 0.04 -0.26 0.87 0.00 1.00 0.00 0.00 33.01 34.66 2k43 s GLN 120 CO 0.28 0.04 1.61 1.63 -2.12 0.00 0.00 175.29 176.72 2k43 n LYS 121 N 1.42 1.51 0.00 2.91 4.76 -1.26 -2.99 118.16 124.52 2k43 n LYS 121 Ca -0.23 -0.77 0.15 0.00 -2.87 0.00 0.00 58.31 54.60 2k43 n LYS 121 Cb 0.55 -1.37 0.83 0.00 -1.84 0.00 0.00 35.03 33.20 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 -0.01 2.66 1.80 7.82 0.00 -1.26 -2.03 120.51 129.49 2k43 n ALA 122 Ca 0.16 -0.26 0.15 0.00 0.00 0.00 0.00 53.44 53.48 2k43 n ALA 122 Cb 0.25 -1.42 0.80 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.70 0.00 -3.82 0.00 2.08 -1.16 -2.70 119.36 113.06 2k43 n ILE 123 Ca 0.22 -0.08 -0.36 0.00 0.56 0.00 0.00 62.75 63.09 2k43 n ILE 123 Cb 0.18 -0.17 -0.13 0.00 -0.75 0.00 0.00 39.64 38.77 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 -2.04 3.63 0.24 1.39 1.02 -0.86 -4.49 118.68 117.58 2k43 s LEU 124 Ca 0.43 -0.74 0.07 0.00 0.02 0.00 0.00 54.13 53.91 2k43 s LEU 124 Cb 0.22 -1.81 -0.05 0.00 0.02 0.00 0.00 46.19 44.56 2k43 s LEU 124 CO 0.37 -0.17 -0.10 0.72 0.02 0.00 0.00 176.35 177.19 2k43 s PHE 125 N 1.45 1.83 -0.02 0.29 -0.71 -0.62 -2.82 117.98 117.37 2k43 s PHE 125 Ca 0.02 -0.65 0.02 0.00 -1.04 0.00 0.00 56.93 55.28 2k43 s PHE 125 Cb -0.17 -0.95 0.01 0.00 -1.21 0.00 0.00 43.02 40.69 2k43 s PHE 125 CO 0.00 0.31 -0.07 -0.51 -1.34 0.00 0.00 175.22 173.62 2k43 s LEU 126 N -3.38 1.71 -0.40 -1.99 1.43 -0.45 -1.68 118.68 113.91 2k43 s LEU 126 Ca 0.26 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 2k43 s LEU 126 Cb 0.02 -0.44 0.06 0.00 0.03 0.00 0.00 46.19 45.85 2k43 s LEU 126 CO 0.09 0.03 0.24 -2.16 0.23 0.00 0.00 176.35 174.79 2k43 s PRO 127 N 0.32 2.72 -0.17 1.29 0.04 -1.26 -2.26 135.00 135.69 2k43 s PRO 127 Ca -0.04 -1.29 -0.02 0.00 0.04 0.00 0.00 61.00 59.69 2k43 s PRO 127 Cb -0.09 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.66 2k43 s PRO 127 CO 0.00 -0.85 -0.09 -0.48 0.04 0.00 0.00 177.00 175.62 2k43 s LEU 128 N 1.49 2.81 0.54 -3.56 0.05 -1.15 -4.89 118.68 113.97 2k43 s LEU 128 Ca 0.02 -0.35 -0.07 0.00 0.05 0.00 0.00 54.13 53.79 2k43 s LEU 128 Cb -0.21 -1.67 -0.03 0.00 -2.05 0.00 0.00 46.19 42.23 2k43 s LEU 128 CO 0.04 0.09 0.87 -2.16 -0.55 0.00 0.00 176.35 174.64 2k43 s PRO 129 N 0.82 3.44 0.30 1.48 0.04 -1.26 0.40 135.00 140.21 2k43 s PRO 129 Ca -0.03 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 2k43 s PRO 129 Cb -0.15 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 2k43 s PRO 129 CO 0.01 -0.39 1.42 0.54 0.04 0.00 0.00 177.00 178.62 2k43 s VAL 130 N -2.90 2.50 0.64 -0.36 0.11 -1.03 -4.86 120.40 114.51 2k43 s VAL 130 Ca 0.50 0.46 -0.11 0.00 -2.93 0.00 0.00 61.98 59.91 2k43 s VAL 130 Cb -0.10 -3.29 -0.03 0.00 -1.53 0.00 0.00 36.38 31.42 2k43 s VAL 130 CO 0.47 0.09 1.04 -0.44 -3.33 0.00 0.00 175.10 172.94 2k43 s SER 131 N 0.01 6.03 -1.16 3.54 0.01 -1.26 -1.60 113.70 119.26 2k43 s SER 131 Ca 0.55 1.40 -0.15 0.00 1.31 0.00 0.00 55.95 59.07 2k43 s SER 131 Cb -0.43 -2.40 0.16 0.00 0.21 0.00 0.00 66.02 63.56 2k43 s SER 131 CO 0.51 -1.00 1.39 -0.44 0.41 0.00 0.00 173.24 174.11 2k43 s SER 132 N -4.16 6.99 0.00 2.44 0.01 -1.26 -2.38 113.70 115.34 2k43 s SER 132 Ca 0.56 -2.82 0.24 0.00 1.31 0.00 0.00 55.95 55.24 2k43 s SER 132 Cb -0.11 -2.40 0.28 0.00 0.21 0.00 0.00 66.02 63.99 2k43 s SER 132 CO 0.54 -0.81 1.31 -0.67 0.41 0.00 0.00 173.24 174.02