#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 s GLY 2 N 0.00 1.82 -0.11 3.03 0.00 -1.26 -5.04 107.32 105.77 2ka5 s GLY 2 Ca 0.00 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 43.12 2ka5 s GLY 2 CO 0.00 -0.52 0.80 1.76 0.00 0.00 0.00 173.10 175.14 2ka5 h SER 3 N -1.74 -0.02 -2.51 1.64 0.02 -2.13 -3.49 113.55 105.33 2ka5 h SER 3 Ca -0.44 -0.76 0.11 0.00 -0.84 0.00 0.00 61.79 59.86 2ka5 h SER 3 Cb 1.21 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.49 2ka5 h SER 3 CO 0.32 0.81 0.35 1.51 -1.14 0.00 0.00 176.83 178.67 2ka5 s ASP 4 N -6.00 -0.55 0.03 3.07 -4.77 -1.26 -5.16 116.67 102.03 2ka5 s ASP 4 Ca -0.16 0.87 -0.27 0.00 -3.30 0.00 0.00 52.55 49.68 2ka5 s ASP 4 Cb -0.02 1.24 0.09 0.00 -1.09 0.00 0.00 42.92 43.15 2ka5 s ASP 4 CO 0.61 -0.14 0.78 -0.75 0.70 0.00 0.00 175.17 176.37 2ka5 s LYS 5 N 1.41 0.97 -0.42 2.11 2.20 -1.26 -5.11 119.74 119.64 2ka5 s LYS 5 Ca -0.09 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.30 2ka5 s LYS 5 Cb -0.04 0.45 0.11 0.00 -1.51 0.00 0.00 37.83 36.85 2ka5 s LYS 5 CO -0.15 -0.40 0.15 0.42 -0.36 0.00 0.00 175.35 175.00 2ka5 s ILE 6 N -2.93 2.47 0.91 5.43 1.01 -1.26 -5.10 121.20 121.73 2ka5 s ILE 6 Ca 0.01 -2.77 -0.13 0.00 0.00 0.00 0.00 60.65 57.76 2ka5 s ILE 6 Cb -0.01 -2.77 0.14 0.00 0.01 0.00 0.00 42.46 39.84 2ka5 s ILE 6 CO -0.07 -0.69 1.17 -1.38 0.00 0.00 0.00 174.94 173.97 2ka5 s HIS 7 N 0.37 2.34 0.31 3.97 -3.43 -1.26 -5.00 115.29 112.59 2ka5 s HIS 7 Ca 0.14 0.72 -0.30 0.00 -0.80 0.00 0.00 55.06 54.82 2ka5 s HIS 7 Cb -0.22 -3.53 -0.12 0.00 -1.43 0.00 0.00 32.58 27.28 2ka5 s HIS 7 CO -0.04 -2.37 1.55 1.58 -2.00 0.00 0.00 174.74 173.46 2ka5 n HIS 8 N -3.72 2.81 -3.82 0.38 -0.00 -1.26 -5.01 115.22 104.60 2ka5 n HIS 8 Ca 0.09 0.31 -0.35 0.00 0.46 0.00 0.00 57.72 58.23 2ka5 n HIS 8 Cb 0.60 -2.57 -0.09 0.00 -0.12 0.00 0.00 29.99 27.81 2ka5 n HIS 8 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2ka5 s HIS 9 N -0.25 3.31 -0.29 1.57 5.04 -1.26 -5.08 115.29 118.33 2ka5 s HIS 9 Ca 0.62 0.17 0.01 0.00 -1.54 0.00 0.00 55.06 54.32 2ka5 s HIS 9 Cb -0.51 -2.16 0.15 0.00 0.04 0.00 0.00 32.58 30.10 2ka5 s HIS 9 CO 0.52 0.16 0.35 -1.01 -2.34 0.00 0.00 174.74 172.42 2ka5 s HIS 10 N 0.58 -0.75 -0.47 3.88 3.76 -1.26 -5.10 115.29 115.94 2ka5 s HIS 10 Ca 0.06 0.09 -0.27 0.00 -0.15 0.00 0.00 55.06 54.79 2ka5 s HIS 10 Cb -0.12 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 2ka5 s HIS 10 CO 0.01 -0.95 2.08 -1.01 -0.85 0.00 0.00 174.74 174.01 2ka5 s HIS 11 N 2.46 1.43 -0.27 1.40 3.76 -1.26 -4.88 115.29 117.93 2ka5 s HIS 11 Ca 0.10 0.99 -0.00 0.00 -0.15 0.00 0.00 55.06 55.99 2ka5 s HIS 11 Cb -0.13 -3.91 0.15 0.00 1.11 0.00 0.00 32.58 29.80 2ka5 s HIS 11 CO -0.31 -2.72 0.39 -1.58 -0.85 0.00 0.00 174.74 169.67 2ka5 s HIS 12 N 9.61 -0.91 1.03 1.40 5.04 -1.26 -5.17 115.29 125.03 2ka5 s HIS 12 Ca 0.84 0.55 -0.15 0.00 -1.54 0.00 0.00 55.06 54.76 2ka5 s HIS 12 Cb -0.18 -0.08 0.10 0.00 0.04 0.00 0.00 32.58 32.45 2ka5 s HIS 12 CO 0.27 -0.86 0.40 0.00 -2.34 0.00 0.00 174.74 172.20 2ka5 n MET 13 N 5.36 -1.00 -4.46 2.88 0.00 -1.26 -5.09 117.12 113.55 2ka5 n MET 13 Ca -0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 57.70 57.21 2ka5 n MET 13 Cb 0.50 -1.88 -0.11 0.00 0.00 0.00 0.00 33.22 31.73 2ka5 n MET 13 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2ka5 s PHE 14 N -2.36 2.02 -0.70 3.17 0.40 -1.26 -5.10 117.98 114.14 2ka5 s PHE 14 Ca 0.59 -0.88 -0.24 0.00 -0.60 0.00 0.00 56.93 55.79 2ka5 s PHE 14 Cb -0.18 -1.31 0.06 0.00 0.51 0.00 0.00 43.02 42.10 2ka5 s PHE 14 CO 0.66 0.10 1.09 -1.25 0.70 0.00 0.00 175.22 176.52 2ka5 s PRO 15 N -3.84 3.16 0.20 0.24 0.04 -1.26 -4.96 135.00 128.58 2ka5 s PRO 15 Ca 0.35 -0.66 -0.17 0.00 0.04 0.00 0.00 61.00 60.56 2ka5 s PRO 15 Cb 0.08 -4.26 0.02 0.00 0.04 0.00 0.00 34.50 30.39 2ka5 s PRO 15 CO 0.15 -1.94 0.52 1.52 0.04 0.00 0.00 177.00 177.29 2ka5 s TYR 16 N 4.63 -0.06 0.39 0.56 -0.85 -1.26 -1.09 117.35 119.66 2ka5 s TYR 16 Ca 0.27 -0.29 0.04 0.00 -0.52 0.00 0.00 57.07 56.57 2ka5 s TYR 16 Cb -0.13 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 2ka5 s TYR 16 CO 0.11 -0.93 0.06 -1.59 -1.52 0.00 0.00 175.55 171.67 2ka5 s LYS 17 N -3.89 1.86 -0.10 -3.49 -2.85 0.30 -4.94 119.74 106.63 2ka5 s LYS 17 Ca 0.11 -2.10 -0.01 0.00 -1.00 0.00 0.00 55.97 52.97 2ka5 s LYS 17 Cb -0.01 -1.04 0.03 0.00 -2.06 0.00 0.00 37.83 34.75 2ka5 s LYS 17 CO -0.01 -0.27 -0.04 0.42 0.10 0.00 0.00 175.35 175.55 2ka5 s ILE 18 N -3.11 0.72 0.00 3.79 1.01 -1.26 -0.88 121.20 121.47 2ka5 s ILE 18 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2ka5 s ILE 18 Cb 0.06 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.72 2ka5 s ILE 18 CO 0.14 0.30 0.00 1.33 0.00 0.00 0.00 174.94 176.70 2ka5 n VAL 19 N 5.04 0.00 -0.30 2.92 0.24 -0.61 -4.99 118.33 120.63 2ka5 n VAL 19 Ca -0.10 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.35 2ka5 n VAL 19 Cb 0.50 -0.26 0.32 0.00 -1.47 0.00 0.00 33.84 32.92 2ka5 n VAL 19 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2ka5 h ASP 20 N 0.00 0.12 0.00 -1.34 5.19 -2.01 -2.73 116.42 115.64 2ka5 h ASP 20 Ca 0.00 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2ka5 h ASP 20 Cb 0.00 0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2ka5 h ASP 20 CO 0.00 -0.14 -0.23 -0.90 -3.12 0.00 0.00 179.24 174.86 2ka5 n ASP 21 N -5.18 0.00 -4.08 6.45 5.75 -1.26 -5.11 116.55 113.12 2ka5 n ASP 21 Ca 0.23 -1.46 -0.31 0.00 -0.01 0.00 0.00 54.79 53.24 2ka5 n ASP 21 Cb 0.73 -0.09 -0.16 0.00 -1.03 0.00 0.00 41.12 40.56 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ka5 s VAL 22 N 0.00 1.83 0.35 2.12 1.01 -1.03 -4.09 120.40 120.59 2ka5 s VAL 22 Ca 0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 2ka5 s VAL 22 Cb 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2ka5 s VAL 22 CO 0.00 0.50 1.05 -0.69 0.00 0.00 0.00 175.10 175.96 2ka5 s VAL 23 N 1.32 3.70 -0.31 2.92 1.01 -0.67 -1.57 120.40 126.80 2ka5 s VAL 23 Ca 0.03 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.49 2ka5 s VAL 23 Cb -0.13 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.51 2ka5 s VAL 23 CO -0.11 0.15 0.00 -0.63 0.00 0.00 0.00 175.10 174.51 2ka5 s ILE 24 N -1.48 2.34 -0.16 2.22 -1.09 -0.06 -0.59 121.20 122.38 2ka5 s ILE 24 Ca 0.52 -2.03 -0.24 0.00 -2.23 0.00 0.00 60.65 56.67 2ka5 s ILE 24 Cb -0.25 -2.58 -0.02 0.00 -1.58 0.00 0.00 42.46 38.03 2ka5 s ILE 24 CO 0.32 -0.38 0.77 -0.76 -1.23 0.00 0.00 174.94 173.66 2ka5 s LEU 25 N 1.00 4.19 -0.59 2.97 1.43 -0.02 -0.54 118.68 127.13 2ka5 s LEU 25 Ca 0.03 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 2ka5 s LEU 25 Cb -0.20 -3.14 0.20 0.00 0.03 0.00 0.00 46.19 43.08 2ka5 s LEU 25 CO -0.06 -0.33 0.53 0.23 0.23 0.00 0.00 176.35 176.95 2ka5 n MET 26 N 4.95 1.50 -1.82 1.70 2.81 -0.25 -2.05 117.12 123.96 2ka5 n MET 26 Ca 0.02 -4.09 -0.37 0.00 -1.81 0.00 0.00 57.70 51.45 2ka5 n MET 26 Cb 0.49 -2.01 0.05 0.00 -0.71 0.00 0.00 33.22 31.04 2ka5 n MET 26 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2ka5 s PRO 27 N -1.34 2.89 0.00 0.03 0.04 -1.26 -4.64 135.00 130.73 2ka5 s PRO 27 Ca 0.31 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2ka5 s PRO 27 Cb 0.05 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2ka5 s PRO 27 CO -0.13 -1.34 0.00 0.27 0.04 0.00 0.00 177.00 175.84 2ka5 n ASN 28 N -1.46 0.00 -1.61 6.66 6.94 -1.26 -3.44 115.26 121.09 2ka5 n ASN 28 Ca 0.13 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.63 2ka5 n ASN 28 Cb 0.47 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.98 2ka5 n ASN 28 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2ka5 n LYS 29 N -0.47 2.06 -0.01 -3.83 4.01 -1.26 -4.72 118.16 113.94 2ka5 n LYS 29 Ca 0.00 -3.43 0.06 0.00 -0.51 0.00 0.00 58.31 54.43 2ka5 n LYS 29 Cb 0.00 -1.59 -0.09 0.00 -0.51 0.00 0.00 35.03 32.84 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2ka5 n GLU 30 N -0.63 0.54 -2.20 1.97 0.28 -1.26 -4.87 120.64 114.47 2ka5 n GLU 30 Ca 0.24 -0.10 -0.31 0.00 -0.16 0.00 0.00 57.16 56.82 2ka5 n GLU 30 Cb 0.88 -1.27 -0.04 0.00 1.43 0.00 0.00 31.44 32.43 2ka5 n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ka5 s LEU 31 N -3.76 3.26 -0.06 -1.84 1.02 -1.26 -4.64 118.68 111.40 2ka5 s LEU 31 Ca -0.04 -0.88 0.15 0.00 0.02 0.00 0.00 54.13 53.38 2ka5 s LEU 31 Cb 0.08 -2.56 0.30 0.00 0.02 0.00 0.00 46.19 44.02 2ka5 s LEU 31 CO 0.50 -2.38 1.13 0.59 0.02 0.00 0.00 176.35 176.22 2ka5 n ASN 32 N 12.46 1.09 0.00 2.29 3.02 -1.26 -5.03 115.26 127.83 2ka5 n ASN 32 Ca 0.38 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 2ka5 n ASN 32 Cb 0.48 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 2ka5 n ASN 32 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2ka5 n ILE 33 N -0.25 0.00 0.10 2.41 5.41 -1.26 -4.46 119.36 121.31 2ka5 n ILE 33 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2ka5 n ILE 33 Cb 0.86 0.00 0.31 0.00 -0.71 0.00 0.00 39.64 40.10 2ka5 n ILE 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2ka5 h GLU 34 N 0.00 0.26 0.00 0.38 5.08 -1.96 0.77 114.58 119.11 2ka5 h GLU 34 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2ka5 h GLU 34 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2ka5 h GLU 34 CO 0.00 0.49 0.00 0.27 -1.00 0.00 0.00 179.01 178.77 2ka5 n ASN 35 N -4.17 0.00 0.05 1.42 6.94 -1.26 -3.94 115.26 114.31 2ka5 n ASN 35 Ca -0.01 0.31 -0.02 0.00 -0.02 0.00 0.00 54.58 54.84 2ka5 n ASN 35 Cb 0.36 -0.41 -0.01 0.00 -2.36 0.00 0.00 39.78 37.36 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ka5 h ALA 36 N 2.60 -0.34 0.00 -2.53 0.00 -1.18 0.27 119.26 118.08 2ka5 h ALA 36 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ka5 h ALA 36 Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ka5 h ALA 36 CO 0.00 -0.33 0.00 1.12 0.00 0.00 0.00 179.25 180.04 2ka5 h HIS 37 N -0.44 0.00 0.00 0.00 2.07 -1.73 0.92 115.15 115.96 2ka5 h HIS 37 Ca -0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2ka5 h HIS 37 Cb 0.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.10 2ka5 h HIS 37 CO 0.04 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.18 2ka5 n LEU 38 N -2.67 0.00 0.26 6.12 4.77 -1.21 -4.08 117.00 120.19 2ka5 n LEU 38 Ca 0.01 0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 56.33 2ka5 n LEU 38 Cb 0.22 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 2ka5 n LEU 38 CO 0.22 -0.04 0.30 0.15 -1.33 0.00 0.00 177.39 176.68 2ka5 h PHE 39 N 0.00 -0.67 -0.33 -1.77 3.57 0.22 -0.12 116.94 117.83 2ka5 h PHE 39 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2ka5 h PHE 39 Cb 0.41 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2ka5 h PHE 39 CO 0.00 -0.42 0.18 1.57 -2.23 0.00 0.00 178.31 177.42 2ka5 h LYS 40 N -1.16 0.45 0.01 1.11 -0.00 -1.76 -0.21 116.57 115.02 2ka5 h LYS 40 Ca -0.07 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.65 60.54 2ka5 h LYS 40 Cb 0.55 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.69 2ka5 h LYS 40 CO 0.12 0.33 -0.01 0.87 -0.00 0.00 0.00 179.45 180.76 2ka5 h LYS 41 N 0.46 -0.02 -0.10 0.07 1.57 -1.63 0.12 116.57 117.04 2ka5 h LYS 41 Ca 0.12 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2ka5 h LYS 41 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2ka5 h LYS 41 CO -0.02 0.22 -0.42 2.35 -0.57 0.00 0.00 179.45 181.01 2ka5 h TRP 42 N -0.25 -1.24 -0.42 -1.35 7.01 -0.87 -2.49 115.95 116.34 2ka5 h TRP 42 Ca -0.00 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.08 2ka5 h TRP 42 Cb 0.24 0.56 -0.04 0.00 -2.10 0.00 0.00 29.16 27.82 2ka5 h TRP 42 CO 0.00 -0.42 0.22 -0.39 -2.79 0.00 0.00 178.44 175.06 2ka5 h VAL 43 N -0.45 0.98 -0.75 2.65 -1.51 -0.31 0.53 116.25 117.38 2ka5 h VAL 43 Ca 0.02 -0.15 0.16 0.00 -1.23 0.00 0.00 66.70 65.50 2ka5 h VAL 43 Cb 0.52 0.51 -0.11 0.00 -2.13 0.00 0.00 31.29 30.08 2ka5 h VAL 43 CO -0.33 0.08 0.24 -0.26 -1.23 0.00 0.00 177.57 176.07 2ka5 h PHE 44 N 0.44 0.40 0.00 5.19 -1.00 -0.78 0.29 116.94 121.47 2ka5 h PHE 44 Ca 0.18 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.00 2ka5 h PHE 44 Cb 0.08 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.58 2ka5 h PHE 44 CO -0.10 -0.03 0.00 -3.47 -1.61 0.00 0.00 178.31 173.11 2ka5 n ASP 45 N -5.09 0.00 0.00 2.17 2.03 0.11 -0.17 116.55 115.60 2ka5 n ASP 45 Ca 0.15 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2ka5 n ASP 45 Cb 0.46 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 2ka5 n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ka5 n GLU 46 N -1.47 4.79 0.11 -0.67 1.02 -0.79 -4.78 120.64 118.86 2ka5 n GLU 46 Ca 0.08 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2ka5 n GLU 46 Cb 0.31 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 2ka5 n GLU 46 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2ka5 n PHE 47 N -0.70 -1.79 0.07 -0.32 3.72 0.94 -4.67 117.46 114.71 2ka5 n PHE 47 Ca 0.00 0.32 -0.13 0.00 -0.05 0.00 0.00 57.45 57.59 2ka5 n PHE 47 Cb 0.01 0.47 -0.09 0.00 -0.94 0.00 0.00 39.48 38.93 2ka5 n PHE 47 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2ka5 h LEU 48 N 0.00 -0.15 -1.72 4.37 3.38 -1.32 0.78 115.31 120.65 2ka5 h LEU 48 Ca 0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2ka5 h LEU 48 Cb 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2ka5 h LEU 48 CO 0.00 0.22 -0.18 0.78 0.09 0.00 0.00 178.44 179.35 2ka5 h ASN 49 N -0.55 0.00 -0.20 -0.43 2.35 -0.85 -3.05 115.58 112.86 2ka5 h ASN 49 Ca -0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2ka5 h ASN 49 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2ka5 h ASN 49 CO 0.03 0.18 -0.00 0.50 -1.65 0.00 0.00 177.43 176.49 2ka5 h LYS 50 N 0.00 0.35 0.00 0.81 3.64 -1.56 -3.47 116.57 116.34 2ka5 h LYS 50 Ca -0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2ka5 h LYS 50 Cb 0.39 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2ka5 h LYS 50 CO 0.02 0.55 0.00 0.41 -2.27 0.00 0.00 179.45 178.16 2ka5 n GLY 51 N -0.30 0.45 3.17 5.01 0.00 0.02 -5.02 105.19 108.52 2ka5 n GLY 51 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2ka5 n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ka5 s TYR 52 N -0.22 2.04 -0.10 1.61 2.02 0.05 -5.01 117.35 117.74 2ka5 s TYR 52 Ca 0.00 -0.68 0.14 0.00 -0.37 0.00 0.00 57.07 56.16 2ka5 s TYR 52 Cb 0.00 -1.37 0.24 0.00 -0.40 0.00 0.00 41.96 40.43 2ka5 s TYR 52 CO 0.00 -0.25 1.12 0.09 -1.57 0.00 0.00 175.55 174.94 2ka5 n ASN 53 N 3.28 1.59 -3.84 2.29 4.13 -1.26 -4.23 115.26 117.22 2ka5 n ASN 53 Ca -0.19 -2.86 -0.12 0.00 1.68 0.00 0.00 54.58 53.09 2ka5 n ASN 53 Cb 0.53 -0.38 -0.12 0.00 -1.54 0.00 0.00 39.78 38.27 2ka5 n ASN 53 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ka5 s LYS 54 N -2.03 0.23 0.02 3.52 1.02 -1.26 -1.26 119.74 119.99 2ka5 s LYS 54 Ca 0.25 0.05 -0.03 0.00 0.02 0.00 0.00 55.97 56.27 2ka5 s LYS 54 Cb 0.23 0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.63 2ka5 s LYS 54 CO -0.00 -0.04 0.03 0.42 -0.92 0.00 0.00 175.35 174.84 2ka5 s ILE 55 N -0.26 0.11 0.08 2.17 1.01 -1.19 -1.66 121.20 121.45 2ka5 s ILE 55 Ca -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2ka5 s ILE 55 Cb -0.03 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 2ka5 s ILE 55 CO 0.00 -0.48 -0.10 -0.36 0.00 0.00 0.00 174.94 174.00 2ka5 s PHE 56 N -1.59 0.97 -0.25 3.97 0.08 0.24 -2.93 117.98 118.46 2ka5 s PHE 56 Ca -0.14 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.31 2ka5 s PHE 56 Cb -0.08 -0.54 0.05 0.00 -0.57 0.00 0.00 43.02 41.88 2ka5 s PHE 56 CO -0.01 -0.03 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.81 2ka5 s LEU 57 N -2.21 3.33 -0.60 -0.37 2.96 -0.69 -0.84 118.68 120.26 2ka5 s LEU 57 Ca 0.01 -1.25 -0.24 0.00 -0.22 0.00 0.00 54.13 52.43 2ka5 s LEU 57 Cb -0.05 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 45.12 2ka5 s LEU 57 CO -0.00 -0.17 0.98 -0.69 -1.32 0.00 0.00 176.35 175.15 2ka5 s VAL 58 N 1.16 4.30 -0.83 1.68 1.01 -0.87 -1.02 120.40 125.83 2ka5 s VAL 58 Ca -0.06 0.10 0.27 0.00 0.00 0.00 0.00 61.98 62.29 2ka5 s VAL 58 Cb -0.19 -4.62 0.26 0.00 0.00 0.00 0.00 36.38 31.83 2ka5 s VAL 58 CO -0.05 -1.29 1.82 0.18 0.00 0.00 0.00 175.10 175.75 2ka5 n LEU 59 N 7.73 0.46 -0.33 3.92 7.99 0.11 -3.60 117.00 133.28 2ka5 n LEU 59 Ca 0.00 0.55 0.16 0.00 -0.01 0.00 0.00 56.01 56.71 2ka5 n LEU 59 Cb 0.47 -0.41 0.39 0.00 -0.11 0.00 0.00 43.42 43.76 2ka5 n LEU 59 CO 0.65 -0.14 1.20 -1.28 -1.51 0.00 0.00 177.39 176.31 2ka5 h SER 60 N 0.00 0.65 0.08 -1.43 0.87 -1.64 -3.23 113.55 108.86 2ka5 h SER 60 Ca 0.00 0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.43 2ka5 h SER 60 Cb 0.60 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2ka5 h SER 60 CO 0.00 0.21 -1.11 -0.78 -0.53 0.00 0.00 176.83 174.62 2ka5 h ASP 61 N 0.62 0.28 -3.49 6.23 1.82 -1.83 -3.46 116.42 116.59 2ka5 h ASP 61 Ca 0.57 -0.83 -0.37 0.00 -0.39 0.00 0.00 57.03 56.00 2ka5 h ASP 61 Cb 1.08 -0.09 0.16 0.00 0.68 0.00 0.00 39.33 41.16 2ka5 h ASP 61 CO -0.34 1.48 0.29 0.55 -1.61 0.00 0.00 179.24 179.61 2ka5 n VAL 62 N -4.12 0.00 0.00 2.25 3.14 -1.22 -4.92 118.33 113.46 2ka5 n VAL 62 Ca -0.22 -0.73 0.00 0.00 -2.96 0.00 0.00 64.34 60.42 2ka5 n VAL 62 Cb 0.80 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.13 2ka5 n VAL 62 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2ka5 n GLU 63 N -3.82 0.00 -3.80 1.45 4.07 -1.26 -4.96 120.64 112.31 2ka5 n GLU 63 Ca 0.14 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.15 2ka5 n GLU 63 Cb 0.52 -0.86 -0.04 0.00 -0.06 0.00 0.00 31.44 31.00 2ka5 n GLU 63 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2ka5 s SER 64 N -4.02 -0.20 0.06 4.31 0.15 -1.26 -4.28 113.70 108.46 2ka5 s SER 64 Ca 0.00 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 56.09 2ka5 s SER 64 Cb 0.00 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.84 2ka5 s SER 64 CO 0.00 -1.05 -0.08 -0.51 1.20 0.00 0.00 173.24 172.80 2ka5 s ILE 65 N -3.90 0.65 0.49 6.45 2.07 -1.26 -5.08 121.20 120.62 2ka5 s ILE 65 Ca 0.12 -1.34 0.06 0.00 -1.41 0.00 0.00 60.65 58.08 2ka5 s ILE 65 Cb -0.00 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.64 2ka5 s ILE 65 CO -0.01 -0.50 0.30 -1.81 -1.91 0.00 0.00 174.94 171.02 2ka5 s ASP 66 N -2.00 4.58 0.00 4.50 1.11 -1.26 -4.88 116.67 118.73 2ka5 s ASP 66 Ca -0.03 -1.18 0.00 0.00 0.18 0.00 0.00 52.55 51.52 2ka5 s ASP 66 Cb -0.06 0.06 0.00 0.00 1.07 0.00 0.00 42.92 43.99 2ka5 s ASP 66 CO -0.01 -0.87 0.07 -1.54 1.18 0.00 0.00 175.17 174.00 2ka5 n SER 67 N -1.55 0.11 0.00 0.27 3.41 -1.26 -1.71 113.62 112.89 2ka5 n SER 67 Ca -0.03 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2ka5 n SER 67 Cb 0.64 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2ka5 n SER 67 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2ka5 n PHE 68 N 0.34 0.00 0.21 7.33 -0.00 -1.26 -4.86 117.46 119.22 2ka5 n PHE 68 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 2ka5 n PHE 68 Cb 0.03 0.00 0.44 0.00 -0.00 0.00 0.00 39.48 39.95 2ka5 n PHE 68 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2ka5 h SER 69 N 0.00 0.00 -0.71 -2.13 0.02 -1.89 -3.00 113.55 105.84 2ka5 h SER 69 Ca 0.00 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 2ka5 h SER 69 Cb 0.00 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.43 2ka5 h SER 69 CO 0.00 0.29 0.10 -0.07 -1.14 0.00 0.00 176.83 176.00 2ka5 h LEU 70 N 0.00 -0.14 -1.59 5.07 3.38 -1.66 0.14 115.31 120.50 2ka5 h LEU 70 Ca -0.00 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2ka5 h LEU 70 Cb 0.52 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2ka5 h LEU 70 CO 0.04 -0.09 0.13 1.23 0.09 0.00 0.00 178.44 179.83 2ka5 h GLY 71 N 0.19 0.42 2.00 0.83 0.00 -1.79 -2.04 103.07 102.68 2ka5 h GLY 71 Ca 0.39 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.39 2ka5 h GLY 71 CO -0.55 0.18 -0.74 -2.08 0.00 0.00 0.00 176.54 173.34 2ka5 h VAL 72 N 0.40 1.50 -0.70 4.60 2.07 -0.87 -2.09 116.25 121.15 2ka5 h VAL 72 Ca 0.10 -2.58 -0.07 0.00 0.82 0.00 0.00 66.70 64.97 2ka5 h VAL 72 Cb 0.06 2.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 2ka5 h VAL 72 CO -0.01 0.73 0.17 0.40 0.02 0.00 0.00 177.57 178.88 2ka5 h ILE 73 N 0.00 1.26 -0.63 4.57 5.03 -0.78 -1.73 117.51 125.23 2ka5 h ILE 73 Ca -0.01 -0.97 -0.00 0.00 -0.12 0.00 0.00 64.86 63.76 2ka5 h ILE 73 Cb 1.35 0.54 -0.03 0.00 -3.03 0.00 0.00 36.82 35.65 2ka5 h ILE 73 CO 0.10 0.37 0.39 0.58 -0.68 0.00 0.00 178.15 178.91 2ka5 h VAL 74 N 1.06 1.18 -0.82 1.67 2.07 -1.35 -2.98 116.25 117.08 2ka5 h VAL 74 Ca 0.22 -0.38 0.16 0.00 0.82 0.00 0.00 66.70 67.52 2ka5 h VAL 74 Cb 0.37 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 30.33 2ka5 h VAL 74 CO 0.00 0.18 0.37 -1.13 0.02 0.00 0.00 177.57 177.02 2ka5 h ASN 75 N 0.86 0.39 -0.53 0.57 -0.00 -0.63 0.16 115.58 116.41 2ka5 h ASN 75 Ca 0.23 0.11 0.03 0.00 -0.00 0.00 0.00 56.30 56.66 2ka5 h ASN 75 Cb -0.04 0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.30 2ka5 h ASN 75 CO -0.04 0.14 0.31 0.40 -0.00 0.00 0.00 177.43 178.24 2ka5 h ILE 76 N 0.51 1.05 -0.05 2.57 2.04 -1.23 -2.14 117.51 120.26 2ka5 h ILE 76 Ca 0.46 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 2ka5 h ILE 76 Cb 0.70 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2ka5 h ILE 76 CO -0.41 0.11 0.01 0.25 0.00 0.00 0.00 178.15 178.12 2ka5 h LEU 77 N 0.62 0.08 -0.46 1.44 7.12 -0.62 -1.34 115.31 122.14 2ka5 h LEU 77 Ca 0.21 -0.25 0.09 0.00 0.13 0.00 0.00 57.88 58.07 2ka5 h LEU 77 Cb 0.03 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.06 2ka5 h LEU 77 CO -0.10 0.31 -0.07 0.11 -0.13 0.00 0.00 178.44 178.56 2ka5 h LYS 78 N -0.16 0.04 -0.19 1.25 1.57 -0.98 0.37 116.57 118.49 2ka5 h LYS 78 Ca 0.01 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2ka5 h LYS 78 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2ka5 h LYS 78 CO 0.00 0.03 0.05 1.03 -0.57 0.00 0.00 179.45 179.99 2ka5 h SER 79 N 0.05 0.28 -0.47 0.86 0.87 -1.19 0.04 113.55 113.97 2ka5 h SER 79 Ca 0.23 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2ka5 h SER 79 Cb 0.35 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2ka5 h SER 79 CO -0.44 0.42 0.30 0.40 -0.53 0.00 0.00 176.83 176.98 2ka5 h ILE 80 N 0.12 1.13 0.00 2.23 2.04 -0.57 0.55 117.51 123.01 2ka5 h ILE 80 Ca 0.06 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 2ka5 h ILE 80 Cb 0.25 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2ka5 h ILE 80 CO -0.00 0.13 -0.25 0.28 0.00 0.00 0.00 178.15 178.31 2ka5 h SER 81 N 0.64 0.00 -0.34 1.72 0.02 -0.89 0.97 113.55 115.67 2ka5 h SER 81 Ca 0.17 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2ka5 h SER 81 Cb -0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2ka5 h SER 81 CO -0.03 0.25 0.12 -1.28 -1.14 0.00 0.00 176.83 174.74 2ka5 h SER 82 N 0.00 0.49 0.00 3.07 0.87 -0.22 -3.35 113.55 114.40 2ka5 h SER 82 Ca -0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2ka5 h SER 82 Cb 0.96 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2ka5 h SER 82 CO 0.03 0.55 0.00 -1.20 -0.53 0.00 0.00 176.83 175.68 2ka5 n SER 83 N -4.67 0.00 0.00 6.23 7.64 0.11 -4.99 113.62 117.94 2ka5 n SER 83 Ca -0.01 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.72 2ka5 n SER 83 Cb 0.16 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2ka5 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka5 n GLY 84 N -0.36 0.00 1.37 0.23 0.00 0.17 -5.09 105.19 101.51 2ka5 n GLY 84 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2ka5 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka5 n GLY 85 N 0.00 3.84 3.31 -0.02 0.00 -0.21 -4.97 105.19 107.14 2ka5 n GLY 85 Ca 0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 2ka5 n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ka5 s PHE 86 N -1.98 1.49 -0.20 1.61 0.40 -0.39 -3.94 117.98 114.98 2ka5 s PHE 86 Ca 0.05 -0.88 -0.21 0.00 -0.60 0.00 0.00 56.93 55.29 2ka5 s PHE 86 Cb 0.00 -0.84 0.06 0.00 0.51 0.00 0.00 43.02 42.75 2ka5 s PHE 86 CO 0.03 -0.01 0.57 0.12 0.70 0.00 0.00 175.22 176.64 2ka5 s PHE 87 N -3.39 -0.61 0.34 0.36 5.36 -1.26 -3.17 117.98 115.60 2ka5 s PHE 87 Ca 0.25 1.46 -0.01 0.00 -0.96 0.00 0.00 56.93 57.67 2ka5 s PHE 87 Cb 0.05 0.23 -0.00 0.00 -0.34 0.00 0.00 43.02 42.95 2ka5 s PHE 87 CO 0.07 -0.33 0.45 0.00 -1.46 0.00 0.00 175.22 173.95 2ka5 s ALA 88 N 0.12 0.89 0.31 11.12 0.00 -1.15 -4.08 121.76 128.98 2ka5 s ALA 88 Ca -0.01 -1.58 0.09 0.00 0.00 0.00 0.00 51.96 50.46 2ka5 s ALA 88 Cb -0.04 1.19 -0.06 0.00 0.00 0.00 0.00 23.12 24.22 2ka5 s ALA 88 CO 0.02 -0.78 -0.11 -0.51 0.00 0.00 0.00 175.76 174.38 2ka5 s LEU 89 N -3.25 2.65 -0.07 0.00 1.43 -0.62 -1.70 118.68 117.12 2ka5 s LEU 89 Ca 0.32 -1.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2ka5 s LEU 89 Cb -0.00 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.31 2ka5 s LEU 89 CO 0.21 -0.17 0.16 -0.69 0.23 0.00 0.00 176.35 176.09 2ka5 s VAL 90 N -2.68 -0.03 -1.17 -1.59 1.01 -0.19 -0.55 120.40 115.20 2ka5 s VAL 90 Ca 0.31 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 2ka5 s VAL 90 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 2ka5 s VAL 90 CO 0.15 0.05 0.75 -0.24 0.00 0.00 0.00 175.10 175.81 2ka5 n SER 91 N 3.79 -4.74 -4.56 3.32 2.88 -0.67 -0.71 113.62 112.94 2ka5 n SER 91 Ca -0.21 -1.04 -0.34 0.00 -1.33 0.00 0.00 58.87 55.94 2ka5 n SER 91 Cb 0.54 -3.21 -0.04 0.00 -0.75 0.00 0.00 64.21 60.76 2ka5 n SER 91 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ka5 s PRO 92 N -6.16 2.96 0.72 -1.46 0.04 -1.26 -3.39 135.00 126.45 2ka5 s PRO 92 Ca 0.43 -0.46 -0.16 0.00 0.04 0.00 0.00 61.00 60.85 2ka5 s PRO 92 Cb -0.16 -5.01 -0.04 0.00 0.04 0.00 0.00 34.50 29.33 2ka5 s PRO 92 CO 0.87 -2.81 0.58 0.27 0.04 0.00 0.00 177.00 175.95 2ka5 n ASN 93 N 11.75 -1.01 -0.07 6.66 6.94 -1.26 -4.56 115.26 133.70 2ka5 n ASN 93 Ca 0.32 0.61 0.20 0.00 -0.02 0.00 0.00 54.58 55.69 2ka5 n ASN 93 Cb 0.49 -1.23 0.64 0.00 -2.36 0.00 0.00 39.78 37.32 2ka5 n ASN 93 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2ka5 h GLU 94 N -0.33 0.11 -0.34 -3.83 4.81 -1.97 0.78 114.58 113.82 2ka5 h GLU 94 Ca -0.46 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 2ka5 h GLU 94 Cb 1.35 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2ka5 h GLU 94 CO 0.43 0.07 0.02 -0.22 -0.73 0.00 0.00 179.01 178.59 2ka5 h LYS 95 N 0.12 0.58 -0.06 1.92 3.11 -1.90 -1.77 116.57 118.57 2ka5 h LYS 95 Ca 0.31 -0.18 -0.12 0.00 -2.81 0.00 0.00 60.65 57.85 2ka5 h LYS 95 Cb 1.07 -0.06 0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2ka5 h LYS 95 CO -0.04 0.69 -0.45 0.28 -2.81 0.00 0.00 179.45 177.13 2ka5 h VAL 96 N 0.40 1.41 -0.06 2.00 2.07 -1.23 -3.29 116.25 117.55 2ka5 h VAL 96 Ca 0.10 -1.86 0.02 0.00 0.82 0.00 0.00 66.70 65.78 2ka5 h VAL 96 Cb 0.41 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2ka5 h VAL 96 CO 0.01 0.54 0.09 -0.33 0.02 0.00 0.00 177.57 177.90 2ka5 h GLU 97 N -0.07 0.00 0.47 1.57 5.08 -0.76 0.91 114.58 121.78 2ka5 h GLU 97 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2ka5 h GLU 97 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2ka5 h GLU 97 CO 0.09 0.00 -0.39 -0.09 -1.00 0.00 0.00 179.01 177.62 2ka5 h ARG 98 N 0.00 -0.81 -0.08 2.33 1.12 -1.39 -1.17 114.38 114.39 2ka5 h ARG 98 Ca 0.03 0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.87 2ka5 h ARG 98 Cb 0.20 0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.35 2ka5 h ARG 98 CO -0.00 -0.54 -0.27 0.28 -3.11 0.00 0.00 179.97 176.33 2ka5 h VAL 99 N -0.84 1.42 0.00 0.20 2.07 -1.36 -1.26 116.25 116.49 2ka5 h VAL 99 Ca -0.06 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2ka5 h VAL 99 Cb 0.71 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2ka5 h VAL 99 CO -0.01 0.47 0.00 -0.07 0.02 0.00 0.00 177.57 177.99 2ka5 h LEU 100 N -0.17 0.00 0.00 2.57 4.07 -0.92 0.27 115.31 121.13 2ka5 h LEU 100 Ca -0.01 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 2ka5 h LEU 100 Cb 0.90 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2ka5 h LEU 100 CO 0.06 0.00 -0.64 0.28 -1.08 0.00 0.00 178.44 177.06 2ka5 h SER 101 N 0.00 0.00 -0.36 -0.43 0.02 -0.76 0.81 113.55 112.82 2ka5 h SER 101 Ca 0.00 -0.33 0.08 0.00 -0.84 0.00 0.00 61.79 60.70 2ka5 h SER 101 Cb 0.06 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.53 2ka5 h SER 101 CO 0.00 1.02 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.48 2ka5 h LEU 102 N -1.00 -0.56 -1.26 5.07 3.38 -0.58 -2.82 115.31 117.55 2ka5 h LEU 102 Ca -0.13 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ka5 h LEU 102 Cb 0.80 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2ka5 h LEU 102 CO -0.08 -0.20 0.00 1.07 0.09 0.00 0.00 178.44 179.32 2ka5 n THR 103 N -5.35 0.21 -3.05 0.22 5.66 0.89 -4.96 114.28 107.90 2ka5 n THR 103 Ca 0.01 -0.39 -0.13 0.00 -3.05 0.00 0.00 64.05 60.49 2ka5 n THR 103 Cb 0.26 0.50 0.01 0.00 -1.55 0.00 0.00 70.33 69.55 2ka5 n THR 103 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ka5 n ASN 104 N 0.48 -7.33 0.04 1.09 3.02 -1.06 -5.01 115.26 106.48 2ka5 n ASN 104 Ca 0.17 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2ka5 n ASN 104 Cb 0.38 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.03 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2ka5 n LEU 105 N -0.63 0.51 0.14 3.41 -0.00 0.07 -4.67 117.00 115.83 2ka5 n LEU 105 Ca 0.04 0.11 0.06 0.00 -0.00 0.00 0.00 56.01 56.22 2ka5 n LEU 105 Cb 0.52 -0.12 0.53 0.00 -0.00 0.00 0.00 43.42 44.35 2ka5 n LEU 105 CO 0.51 -0.46 1.10 -0.78 -0.00 0.00 0.00 177.39 177.76 2ka5 h ASP 106 N 0.00 0.22 0.00 1.96 1.82 -1.26 -0.91 116.42 118.25 2ka5 h ASP 106 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2ka5 h ASP 106 Cb 0.37 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.32 2ka5 h ASP 106 CO 0.00 0.17 0.00 0.54 -1.61 0.00 0.00 179.24 178.34 2ka5 n ARG 107 N -4.50 0.71 0.00 0.28 1.74 -1.25 -3.91 116.66 109.72 2ka5 n ARG 107 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2ka5 n ARG 107 Cb 0.08 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2ka5 n ARG 107 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2ka5 n ILE 108 N -0.94 0.00 -4.09 0.55 5.41 -0.77 -5.09 119.36 114.43 2ka5 n ILE 108 Ca 0.15 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.63 2ka5 n ILE 108 Cb 0.07 -0.16 -0.06 0.00 -0.71 0.00 0.00 39.64 38.78 2ka5 n ILE 108 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2ka5 s VAL 109 N -1.30 4.42 0.70 1.39 1.01 -0.42 -5.10 120.40 121.10 2ka5 s VAL 109 Ca 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 2ka5 s VAL 109 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2ka5 s VAL 109 CO 0.00 -0.06 1.09 -0.54 0.00 0.00 0.00 175.10 175.59 2ka5 s LYS 110 N -2.95 2.66 -0.07 2.72 -0.14 -1.26 -4.65 119.74 116.06 2ka5 s LYS 110 Ca 0.30 1.25 -0.14 0.00 -1.36 0.00 0.00 55.97 56.02 2ka5 s LYS 110 Cb -0.10 -1.94 0.03 0.00 -1.68 0.00 0.00 37.83 34.13 2ka5 s LYS 110 CO 0.23 -1.34 0.34 0.42 -0.76 0.00 0.00 175.35 174.24 2ka5 s ILE 111 N -2.62 0.03 0.23 2.17 1.09 -1.26 -1.59 121.20 119.25 2ka5 s ILE 111 Ca 0.64 -0.24 -0.10 0.00 -1.10 0.00 0.00 60.65 59.84 2ka5 s ILE 111 Cb -0.18 -0.57 -0.01 0.00 -1.06 0.00 0.00 42.46 40.64 2ka5 s ILE 111 CO 0.48 -0.13 0.40 -0.31 -0.10 0.00 0.00 174.94 175.27 2ka5 s TYR 112 N -0.61 0.52 -0.18 3.97 2.02 0.28 -4.87 117.35 118.48 2ka5 s TYR 112 Ca -0.07 -0.85 -0.20 0.00 -0.37 0.00 0.00 57.07 55.57 2ka5 s TYR 112 Cb -0.04 0.02 -0.22 0.00 -0.40 0.00 0.00 41.96 41.33 2ka5 s TYR 112 CO 0.03 -0.90 0.35 -0.44 -1.57 0.00 0.00 175.55 173.01 2ka5 h ASP 113 N 2.34 0.09 -1.47 2.29 3.32 -1.94 -2.33 116.42 118.72 2ka5 h ASP 113 Ca -0.28 -0.66 -0.63 0.00 0.02 0.00 0.00 57.03 55.48 2ka5 h ASP 113 Cb 1.25 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 2ka5 h ASP 113 CO 0.40 1.48 -0.57 0.42 -1.72 0.00 0.00 179.24 179.25 2ka5 s THR 114 N -2.38 1.52 0.20 0.35 -4.23 -1.26 -1.66 115.64 108.18 2ka5 s THR 114 Ca -0.26 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.23 2ka5 s THR 114 Cb 0.05 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2ka5 s THR 114 CO 0.64 0.00 1.54 0.40 -0.54 0.00 0.00 174.62 176.66 2ka5 h ILE 115 N 1.66 1.32 -0.00 2.99 1.08 -1.96 -3.20 117.51 119.40 2ka5 h ILE 115 Ca -0.43 -1.73 -0.15 0.00 -0.39 0.00 0.00 64.86 62.16 2ka5 h ILE 115 Cb 1.27 1.71 -0.02 0.00 -3.07 0.00 0.00 36.82 36.71 2ka5 h ILE 115 CO 0.76 0.54 -0.70 -1.28 -0.69 0.00 0.00 178.15 176.77 2ka5 h SER 116 N 0.42 0.01 0.51 1.72 0.87 -1.99 0.34 113.55 115.43 2ka5 h SER 116 Ca 0.02 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2ka5 h SER 116 Cb 1.03 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2ka5 h SER 116 CO 0.10 0.71 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.77 2ka5 h GLU 117 N 0.01 0.00 0.00 2.24 5.08 -1.97 -3.28 114.58 116.65 2ka5 h GLU 117 Ca -0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 2ka5 h GLU 117 Cb 1.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 2ka5 h GLU 117 CO 0.09 0.01 -2.34 0.00 -1.00 0.00 0.00 179.01 175.77 2ka5 n ALA 118 N -2.10 1.49 -0.18 3.43 0.00 -0.38 -4.28 120.51 118.50 2ka5 n ALA 118 Ca -0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 53.44 52.40 2ka5 n ALA 118 Cb 0.19 -0.04 0.05 0.00 0.00 0.00 0.00 19.45 19.65 2ka5 n ALA 118 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2ka5 h MET 119 N 0.00 -0.00 -0.03 0.00 -1.53 -0.45 0.24 114.93 113.17 2ka5 h MET 119 Ca -0.52 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.74 2ka5 h MET 119 Cb 1.82 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.87 2ka5 h MET 119 CO -0.08 -0.00 -0.04 -0.85 0.14 0.00 0.00 176.91 176.08 2ka5 n GLU 120 N -5.39 2.02 -0.00 0.39 0.28 -1.26 -4.28 120.64 112.39 2ka5 n GLU 120 Ca 0.06 -1.75 -0.00 0.00 -0.16 0.00 0.00 57.16 55.31 2ka5 n GLU 120 Cb 0.30 -1.43 -0.00 0.00 1.43 0.00 0.00 31.44 31.73 2ka5 n GLU 120 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2ka5 n GLU 121 N 1.14 1.76 0.01 3.44 2.13 -0.43 -4.03 120.64 124.66 2ka5 n GLU 121 Ca 0.13 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.16 2ka5 n GLU 121 Cb 0.55 -1.02 0.71 0.00 0.27 0.00 0.00 31.44 31.95 2ka5 n GLU 121 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2ka5 h VAL 122 N 0.00 0.64 -2.98 6.31 3.04 -0.82 -3.10 116.25 119.34 2ka5 h VAL 122 Ca -0.02 0.00 -0.57 0.00 -1.01 0.00 0.00 66.70 65.10 2ka5 h VAL 122 Cb 1.04 0.71 -0.04 0.00 -2.01 0.00 0.00 31.29 30.98 2ka5 h VAL 122 CO -0.00 0.00 0.94 -0.13 -1.01 0.00 0.00 177.57 177.37 2ka5 s ARG 123 N -4.92 4.10 0.00 4.17 0.52 -1.26 -3.81 118.95 117.75 2ka5 s ARG 123 Ca -0.05 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 2ka5 s ARG 123 Cb 0.19 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.84 2ka5 s ARG 123 CO 0.69 -0.88 0.00 0.54 0.02 0.00 0.00 175.30 175.67 2ka5 n ARG 124 N 6.91 0.00 0.00 3.54 3.00 -1.24 -4.87 116.66 124.01 2ka5 n ARG 124 Ca 0.14 0.24 0.00 0.00 -0.01 0.00 0.00 57.85 58.22 2ka5 n ARG 124 Cb 0.45 -2.78 0.00 0.00 0.00 0.00 0.00 32.46 30.13 2ka5 n ARG 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26