#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 n GLY 2 N 0.00 1.07 7.00 3.03 0.00 -1.26 -5.14 105.19 109.89 2ka5 n GLY 2 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2ka5 n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ka5 n SER 3 N 0.00 -3.58 -4.92 1.61 3.41 -1.26 -4.77 113.62 104.11 2ka5 n SER 3 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 2ka5 n SER 3 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2ka5 n SER 3 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2ka5 s ASP 4 N -4.00 6.38 0.30 4.04 1.01 -1.26 -5.13 116.67 118.01 2ka5 s ASP 4 Ca 0.00 0.32 -0.07 0.00 0.71 0.00 0.00 52.55 53.51 2ka5 s ASP 4 Cb 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.95 2ka5 s ASP 4 CO 0.00 0.15 0.48 -1.59 0.21 0.00 0.00 175.17 174.41 2ka5 s LYS 5 N -2.54 1.76 0.00 8.23 -2.85 -1.26 -4.97 119.74 118.10 2ka5 s LYS 5 Ca 0.36 -1.54 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 2ka5 s LYS 5 Cb -0.13 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 2ka5 s LYS 5 CO 0.27 -0.73 0.00 -0.89 0.10 0.00 0.00 175.35 174.10 2ka5 n ILE 6 N -0.48 0.00 0.00 3.79 5.41 -1.26 -4.86 119.36 121.97 2ka5 n ILE 6 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2ka5 n ILE 6 Cb 0.62 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.55 2ka5 n ILE 6 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2ka5 n HIS 7 N 0.00 0.00 -1.85 1.39 -0.00 -1.26 -4.86 115.22 108.64 2ka5 n HIS 7 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 2ka5 n HIS 7 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2ka5 n HIS 7 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ka5 s HIS 8 N 0.00 2.64 -0.23 1.57 3.76 -1.26 -5.04 115.29 116.72 2ka5 s HIS 8 Ca 0.00 1.21 -0.11 0.00 -0.15 0.00 0.00 55.06 56.01 2ka5 s HIS 8 Cb 0.00 -3.97 0.09 0.00 1.11 0.00 0.00 32.58 29.80 2ka5 s HIS 8 CO 0.00 -2.84 0.54 -3.38 -0.85 0.00 0.00 174.74 168.22 2ka5 s HIS 9 N -1.13 -0.93 0.01 1.40 -0.00 -1.26 -5.13 115.29 108.25 2ka5 s HIS 9 Ca 0.53 1.80 -0.01 0.00 -0.00 0.00 0.00 55.06 57.38 2ka5 s HIS 9 Cb -0.45 0.49 -0.01 0.00 -0.00 0.00 0.00 32.58 32.61 2ka5 s HIS 9 CO 0.61 -0.49 0.00 -1.01 -0.00 0.00 0.00 174.74 173.86 2ka5 s HIS 10 N 2.01 0.11 0.00 0.38 3.76 -1.26 -5.05 115.29 115.24 2ka5 s HIS 10 Ca -0.07 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2ka5 s HIS 10 Cb -0.09 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.52 2ka5 s HIS 10 CO -0.16 -0.11 0.00 -2.39 -0.85 0.00 0.00 174.74 171.23 2ka5 n HIS 11 N 2.31 0.00 -1.42 1.40 -0.00 -1.26 -5.14 115.22 111.11 2ka5 n HIS 11 Ca -0.18 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.25 2ka5 n HIS 11 Cb 0.57 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.69 2ka5 n HIS 11 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ka5 s HIS 12 N 0.00 2.51 -0.57 -1.40 -3.43 -1.26 -5.03 115.29 106.11 2ka5 s HIS 12 Ca 0.00 1.04 0.06 0.00 -0.80 0.00 0.00 55.06 55.36 2ka5 s HIS 12 Cb 0.00 -3.24 0.25 0.00 -1.43 0.00 0.00 32.58 28.15 2ka5 s HIS 12 CO 0.00 -2.28 0.68 -0.12 -2.00 0.00 0.00 174.74 171.02 2ka5 n MET 13 N -3.75 2.03 -2.77 -0.38 1.56 -1.26 -4.99 117.12 107.55 2ka5 n MET 13 Ca 0.06 -4.28 -0.28 0.00 -0.27 0.00 0.00 57.70 52.93 2ka5 n MET 13 Cb 0.57 -1.98 0.03 0.00 2.15 0.00 0.00 33.22 33.99 2ka5 n MET 13 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 2ka5 n PHE 14 N 1.03 -1.89 -0.83 1.12 3.72 -1.26 -4.74 117.46 114.61 2ka5 n PHE 14 Ca 0.27 0.79 -0.09 0.00 -0.05 0.00 0.00 57.45 58.38 2ka5 n PHE 14 Cb 0.44 -1.22 -0.13 0.00 -0.94 0.00 0.00 39.48 37.63 2ka5 n PHE 14 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ka5 n PRO 15 N -0.12 1.65 -3.88 -1.08 -0.04 -1.26 -4.68 135.00 125.59 2ka5 n PRO 15 Ca -0.06 -0.74 -0.09 0.00 -0.04 0.00 0.00 63.50 62.57 2ka5 n PRO 15 Cb 0.49 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 2ka5 n PRO 15 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2ka5 s TYR 16 N 0.98 0.04 0.42 0.54 -0.85 -1.26 -2.19 117.35 115.02 2ka5 s TYR 16 Ca 0.49 -0.43 0.03 0.00 -0.52 0.00 0.00 57.07 56.65 2ka5 s TYR 16 Cb 0.24 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.96 2ka5 s TYR 16 CO 0.00 -1.05 0.09 -1.59 -1.52 0.00 0.00 175.55 171.48 2ka5 s LYS 17 N -3.94 1.94 -0.09 -3.49 -2.85 0.05 -4.94 119.74 106.42 2ka5 s LYS 17 Ca 0.15 -2.18 -0.01 0.00 -1.00 0.00 0.00 55.97 52.93 2ka5 s LYS 17 Cb -0.02 -0.84 0.03 0.00 -2.06 0.00 0.00 37.83 34.93 2ka5 s LYS 17 CO 0.05 -0.41 -0.04 0.42 0.10 0.00 0.00 175.35 175.47 2ka5 s ILE 18 N -3.15 0.72 0.35 3.79 1.01 -1.26 -0.45 121.20 122.21 2ka5 s ILE 18 Ca 0.22 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.83 2ka5 s ILE 18 Cb 0.03 -0.81 0.05 0.00 0.01 0.00 0.00 42.46 41.75 2ka5 s ILE 18 CO 0.13 0.32 0.43 1.33 0.00 0.00 0.00 174.94 177.15 2ka5 n VAL 19 N 5.02 0.00 -0.13 2.92 0.24 -0.55 -4.99 118.33 120.84 2ka5 n VAL 19 Ca -0.10 -1.22 -0.01 0.00 -2.04 0.00 0.00 64.34 60.96 2ka5 n VAL 19 Cb 0.50 -0.59 -0.00 0.00 -1.47 0.00 0.00 33.84 32.28 2ka5 n VAL 19 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2ka5 n ASP 20 N -2.43 -0.26 0.00 -1.34 9.92 -1.26 -1.68 116.55 119.50 2ka5 n ASP 20 Ca 0.07 0.59 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 2ka5 n ASP 20 Cb 0.37 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2ka5 n ASP 20 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ka5 n ASP 21 N -4.47 0.00 -4.29 -2.24 9.92 -1.26 -5.08 116.55 109.13 2ka5 n ASP 21 Ca 0.03 -1.00 -0.36 0.00 -0.53 0.00 0.00 54.79 52.93 2ka5 n ASP 21 Cb 0.12 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.47 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ka5 s VAL 22 N 0.00 3.49 0.71 2.53 1.01 -0.68 -4.39 120.40 123.07 2ka5 s VAL 22 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 2ka5 s VAL 22 Cb 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2ka5 s VAL 22 CO 0.00 0.17 1.12 -0.69 0.00 0.00 0.00 175.10 175.70 2ka5 s VAL 23 N 1.43 3.08 -0.33 2.92 1.01 -1.18 -1.48 120.40 125.85 2ka5 s VAL 23 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.46 2ka5 s VAL 23 Cb -0.17 -2.95 0.11 0.00 0.00 0.00 0.00 36.38 33.37 2ka5 s VAL 23 CO -0.01 -0.35 0.12 -0.63 0.00 0.00 0.00 175.10 174.22 2ka5 s ILE 24 N -2.45 1.07 0.17 2.22 -1.09 0.40 0.18 121.20 121.71 2ka5 s ILE 24 Ca 0.66 -1.66 -0.30 0.00 -2.23 0.00 0.00 60.65 57.12 2ka5 s ILE 24 Cb -0.21 -1.80 -0.08 0.00 -1.58 0.00 0.00 42.46 38.79 2ka5 s ILE 24 CO 0.46 -0.71 1.21 -0.76 -1.23 0.00 0.00 174.94 173.92 2ka5 s LEU 25 N 1.36 4.44 -0.54 2.97 2.01 0.17 -0.77 118.68 128.31 2ka5 s LEU 25 Ca 0.11 2.23 0.06 0.00 0.01 0.00 0.00 54.13 56.54 2ka5 s LEU 25 Cb -0.19 -3.60 0.23 0.00 0.01 0.00 0.00 46.19 42.64 2ka5 s LEU 25 CO -0.20 -0.40 0.59 0.23 1.01 0.00 0.00 176.35 177.59 2ka5 n MET 26 N 2.66 1.56 -2.25 1.70 2.81 -0.93 -1.95 117.12 120.72 2ka5 n MET 26 Ca 0.05 -4.00 -0.38 0.00 -1.81 0.00 0.00 57.70 51.56 2ka5 n MET 26 Cb 0.45 -1.86 -0.01 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.61 3.87 0.00 0.03 0.04 -1.26 -4.73 135.00 131.34 2ka5 s PRO 27 Ca 0.35 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2ka5 s PRO 27 Cb 0.11 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2ka5 s PRO 27 CO -0.09 -0.47 0.00 0.27 0.04 0.00 0.00 177.00 176.75 2ka5 n ASN 28 N -0.25 0.00 -0.16 6.66 6.94 -1.26 -3.34 115.26 123.85 2ka5 n ASN 28 Ca 0.06 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.63 2ka5 n ASN 28 Cb 0.47 -0.01 0.01 0.00 -2.36 0.00 0.00 39.78 37.90 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 -1.35 0.52 -0.49 -3.83 4.01 -1.26 -4.18 118.16 111.57 2ka5 n LYS 29 Ca 0.00 -0.96 0.08 0.00 -0.51 0.00 0.00 58.31 56.92 2ka5 n LYS 29 Cb 0.00 -0.65 0.27 0.00 -0.51 0.00 0.00 35.03 34.14 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 -0.19 3.26 -2.46 1.97 0.28 -1.26 -4.77 120.64 117.48 2ka5 n GLU 30 Ca 0.01 -2.80 -0.42 0.00 -0.16 0.00 0.00 57.16 53.79 2ka5 n GLU 30 Cb 0.54 -1.84 0.01 0.00 1.43 0.00 0.00 31.44 31.57 2ka5 n GLU 30 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2ka5 n LEU 31 N -0.12 6.85 -4.79 -1.84 4.77 -1.26 -4.94 117.00 115.68 2ka5 n LEU 31 Ca 0.21 -4.86 -0.37 0.00 -0.03 0.00 0.00 56.01 50.97 2ka5 n LEU 31 Cb 0.88 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 2ka5 n LEU 31 CO 0.17 1.59 0.60 0.20 -1.33 0.00 0.00 177.39 178.63 2ka5 s ASN 32 N 0.02 7.29 0.36 -1.43 0.01 -1.26 -4.83 114.94 115.10 2ka5 s ASN 32 Ca 0.40 1.75 0.11 0.00 -0.71 0.00 0.00 52.86 54.40 2ka5 s ASN 32 Cb 0.10 -2.55 0.87 0.00 0.41 0.00 0.00 41.25 40.09 2ka5 s ASN 32 CO 0.01 -0.04 1.84 -0.29 -1.51 0.00 0.00 177.10 177.11 2ka5 h ILE 33 N 2.66 0.76 0.24 0.60 2.10 -1.98 0.24 117.51 122.14 2ka5 h ILE 33 Ca -0.47 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.24 2ka5 h ILE 33 Cb 1.19 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 2ka5 h ILE 33 CO 0.65 0.12 -0.12 -0.33 -1.08 0.00 0.00 178.15 177.39 2ka5 h GLU 34 N 0.63 -0.31 0.00 2.19 5.08 -1.99 -1.49 114.58 118.69 2ka5 h GLU 34 Ca 0.49 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2ka5 h GLU 34 Cb 0.89 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2ka5 h GLU 34 CO -0.24 -0.11 0.00 -2.95 -1.00 0.00 0.00 179.01 174.71 2ka5 h ASN 35 N -0.46 0.00 -0.54 1.42 -1.07 -1.81 -2.94 115.58 110.18 2ka5 h ASN 35 Ca -0.03 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.24 2ka5 h ASN 35 Cb 0.34 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.58 2ka5 h ASN 35 CO 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 177.43 177.50 2ka5 h ALA 36 N 2.29 0.73 -0.88 4.14 0.00 -0.11 0.26 119.26 125.69 2ka5 h ALA 36 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ka5 h ALA 36 Cb 0.66 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2ka5 h ALA 36 CO 0.00 0.60 0.54 1.25 0.00 0.00 0.00 179.25 181.64 2ka5 h HIS 37 N 0.86 1.14 0.00 0.00 2.76 -1.10 -2.25 115.15 116.56 2ka5 h HIS 37 Ca 0.15 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 2ka5 h HIS 37 Cb 0.60 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2ka5 h HIS 37 CO 0.04 0.75 -0.23 -0.07 -1.30 0.00 0.00 177.93 177.12 2ka5 h LEU 38 N 1.20 0.00 -1.24 0.26 3.38 -1.42 -3.35 115.31 114.15 2ka5 h LEU 38 Ca 0.32 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.43 2ka5 h LEU 38 Cb -0.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2ka5 h LEU 38 CO -0.06 0.23 0.58 0.15 0.09 0.00 0.00 178.44 179.43 2ka5 h PHE 39 N 0.00 0.87 0.21 1.13 3.57 0.15 0.36 116.94 123.23 2ka5 h PHE 39 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2ka5 h PHE 39 Cb 0.83 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2ka5 h PHE 39 CO 0.00 0.32 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.08 2ka5 h LYS 40 N 0.73 -0.27 -0.41 1.11 3.64 -1.72 0.18 116.57 119.83 2ka5 h LYS 40 Ca 0.46 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.92 2ka5 h LYS 40 Cb 0.70 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 2ka5 h LYS 40 CO -0.22 -0.06 0.08 -0.22 -2.27 0.00 0.00 179.45 176.76 2ka5 h LYS 41 N -0.45 0.20 0.02 1.90 3.11 -1.25 -0.21 116.57 119.89 2ka5 h LYS 41 Ca -0.03 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2ka5 h LYS 41 Cb 0.34 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2ka5 h LYS 41 CO 0.05 0.13 -0.01 2.35 -2.81 0.00 0.00 179.45 179.16 2ka5 h TRP 42 N 0.21 -0.03 -0.78 1.91 7.01 -0.96 -1.06 115.95 122.25 2ka5 h TRP 42 Ca 0.20 -0.00 0.19 0.00 2.11 0.00 0.00 58.89 61.39 2ka5 h TRP 42 Cb 0.24 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 2ka5 h TRP 42 CO -0.20 -0.02 0.54 0.28 -2.79 0.00 0.00 178.44 176.24 2ka5 h VAL 43 N -0.03 0.68 0.00 2.65 2.07 -0.57 0.24 116.25 121.29 2ka5 h VAL 43 Ca -0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2ka5 h VAL 43 Cb 0.03 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2ka5 h VAL 43 CO 0.00 0.04 0.00 0.49 0.02 0.00 0.00 177.57 178.12 2ka5 n PHE 44 N -4.40 0.00 0.23 1.57 3.01 -0.10 -1.24 117.46 116.52 2ka5 n PHE 44 Ca 0.16 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.68 2ka5 n PHE 44 Cb 0.71 -0.14 0.53 0.00 -0.01 0.00 0.00 39.48 40.57 2ka5 n PHE 44 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2ka5 h ASP 45 N 0.00 0.00 0.74 4.37 5.19 -0.60 0.33 116.42 126.45 2ka5 h ASP 45 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 2ka5 h ASP 45 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2ka5 h ASP 45 CO 0.00 0.21 -0.75 -0.08 -3.12 0.00 0.00 179.24 175.50 2ka5 h GLU 46 N 0.00 0.00 0.00 3.56 4.57 -0.70 -3.35 114.58 118.67 2ka5 h GLU 46 Ca -0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2ka5 h GLU 46 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2ka5 h GLU 46 CO 0.03 0.75 0.00 1.19 -1.18 0.00 0.00 179.01 179.80 2ka5 n PHE 47 N -3.65 -0.87 0.17 0.92 3.72 -0.80 -4.76 117.46 112.19 2ka5 n PHE 47 Ca -0.01 0.15 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 2ka5 n PHE 47 Cb 0.72 0.53 -0.07 0.00 -0.94 0.00 0.00 39.48 39.72 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 -0.63 -0.92 4.37 3.38 0.75 0.68 115.31 122.94 2ka5 h LEU 48 Ca 0.00 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2ka5 h LEU 48 Cb 0.00 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2ka5 h LEU 48 CO 0.00 -0.35 -0.26 0.78 0.09 0.00 0.00 178.44 178.69 2ka5 h ASN 49 N -0.52 0.49 -0.95 -0.43 2.35 -0.77 -2.98 115.58 112.77 2ka5 h ASN 49 Ca -0.01 -0.17 0.09 0.00 -0.55 0.00 0.00 56.30 55.67 2ka5 h ASN 49 Cb 0.47 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.64 2ka5 h ASN 49 CO -0.04 0.74 0.61 0.11 -1.65 0.00 0.00 177.43 177.20 2ka5 h LYS 50 N 0.42 0.97 0.00 0.81 1.79 -1.41 -3.46 116.57 115.69 2ka5 h LYS 50 Ca 0.06 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ka5 h LYS 50 Cb 0.69 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2ka5 h LYS 50 CO 0.05 0.64 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 2ka5 n GLY 51 N -1.38 -0.96 3.88 3.86 0.00 -0.29 -5.03 105.19 105.28 2ka5 n GLY 51 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.03 3.44 -0.30 1.61 1.51 0.08 -5.00 117.35 118.65 2ka5 s TYR 52 Ca 0.00 0.76 0.19 0.00 -1.01 0.00 0.00 57.07 57.01 2ka5 s TYR 52 Cb 0.00 -2.17 0.47 0.00 -0.11 0.00 0.00 41.96 40.15 2ka5 s TYR 52 CO 0.00 0.31 1.10 0.09 -1.11 0.00 0.00 175.55 175.94 2ka5 n ASN 53 N -0.12 0.99 0.00 2.29 4.13 -1.26 -4.20 115.26 117.09 2ka5 n ASN 53 Ca -0.00 -2.35 0.00 0.00 1.68 0.00 0.00 54.58 53.91 2ka5 n ASN 53 Cb 0.52 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 2ka5 n ASN 53 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2ka5 n LYS 54 N -0.46 0.00 -3.74 3.52 2.85 -1.26 -1.03 118.16 118.04 2ka5 n LYS 54 Ca 0.05 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.21 2ka5 n LYS 54 Cb 0.82 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.15 2ka5 n LYS 54 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2ka5 s ILE 55 N -1.98 0.05 0.04 0.58 1.09 -1.12 -3.08 121.20 116.77 2ka5 s ILE 55 Ca 0.00 -0.82 0.02 0.00 -1.10 0.00 0.00 60.65 58.75 2ka5 s ILE 55 Cb 0.00 -1.47 -0.02 0.00 -1.06 0.00 0.00 42.46 39.91 2ka5 s ILE 55 CO 0.00 -0.23 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.18 2ka5 s PHE 56 N -3.86 0.62 -0.24 3.97 0.08 0.13 -2.61 117.98 116.07 2ka5 s PHE 56 Ca 0.08 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2ka5 s PHE 56 Cb 0.01 -0.37 0.06 0.00 -0.57 0.00 0.00 43.02 42.14 2ka5 s PHE 56 CO -0.06 -0.08 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.74 2ka5 s LEU 57 N -1.41 2.73 0.15 -0.37 2.96 -0.71 -0.66 118.68 121.37 2ka5 s LEU 57 Ca -0.09 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 52.33 2ka5 s LEU 57 Cb -0.09 -1.27 -0.07 0.00 0.50 0.00 0.00 46.19 45.27 2ka5 s LEU 57 CO 0.00 -0.21 1.01 -0.69 -1.32 0.00 0.00 176.35 175.14 2ka5 s VAL 58 N 1.33 4.22 -0.33 1.68 1.01 -0.82 -0.64 120.40 126.85 2ka5 s VAL 58 Ca -0.06 1.90 0.09 0.00 0.00 0.00 0.00 61.98 63.91 2ka5 s VAL 58 Cb -0.19 -4.21 0.46 0.00 0.00 0.00 0.00 36.38 32.43 2ka5 s VAL 58 CO -0.06 0.32 1.14 0.18 0.00 0.00 0.00 175.10 176.68 2ka5 n LEU 59 N 2.51 4.25 -0.14 3.92 4.32 -0.39 -4.25 117.00 127.22 2ka5 n LEU 59 Ca 0.02 -4.60 -0.29 0.00 -0.02 0.00 0.00 56.01 51.12 2ka5 n LEU 59 Cb 0.48 -0.23 -0.10 0.00 -1.62 0.00 0.00 43.42 41.95 2ka5 n LEU 59 CO 0.52 1.98 -1.45 -0.24 -1.22 0.00 0.00 177.39 176.98 2ka5 n SER 60 N -0.60 1.96 0.09 -1.43 2.88 -1.26 -4.45 113.62 110.82 2ka5 n SER 60 Ca 0.36 0.32 0.13 0.00 -1.33 0.00 0.00 58.87 58.35 2ka5 n SER 60 Cb 0.86 -0.80 0.40 0.00 -0.75 0.00 0.00 64.21 63.91 2ka5 n SER 60 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2ka5 n ASP 61 N -4.21 0.75 -4.44 -3.46 9.92 -1.26 -4.59 116.55 109.27 2ka5 n ASP 61 Ca -0.55 0.53 -0.37 0.00 -0.53 0.00 0.00 54.79 53.87 2ka5 n ASP 61 Cb 0.89 -0.69 -0.12 0.00 -0.64 0.00 0.00 41.12 40.56 2ka5 n ASP 61 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ka5 s VAL 62 N -3.10 4.33 -0.01 2.53 0.11 -1.21 -4.62 120.40 118.43 2ka5 s VAL 62 Ca 0.10 -0.26 -0.25 0.00 -2.93 0.00 0.00 61.98 58.64 2ka5 s VAL 62 Cb 0.13 -3.08 -0.19 0.00 -1.53 0.00 0.00 36.38 31.71 2ka5 s VAL 62 CO 0.60 0.26 1.24 -0.08 -3.33 0.00 0.00 175.10 173.80 2ka5 h GLU 63 N 8.26 -0.12 -3.16 1.54 4.57 -1.84 -3.45 114.58 120.38 2ka5 h GLU 63 Ca -0.37 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.84 2ka5 h GLU 63 Cb 1.16 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.70 2ka5 h GLU 63 CO 0.59 0.29 0.13 -1.54 -1.18 0.00 0.00 179.01 177.29 2ka5 s SER 64 N -5.49 -0.29 0.04 1.04 1.04 -1.26 -4.32 113.70 104.45 2ka5 s SER 64 Ca -0.15 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.81 2ka5 s SER 64 Cb 0.02 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2ka5 s SER 64 CO 0.62 -1.17 -0.08 -0.51 0.98 0.00 0.00 173.24 173.08 2ka5 s ILE 65 N -3.89 0.58 0.64 -1.02 2.07 -1.26 -5.10 121.20 113.22 2ka5 s ILE 65 Ca 0.10 -1.02 -0.15 0.00 -1.41 0.00 0.00 60.65 58.17 2ka5 s ILE 65 Cb -0.03 -0.63 -0.01 0.00 0.13 0.00 0.00 42.46 41.92 2ka5 s ILE 65 CO 0.01 -0.32 1.09 -1.81 -1.91 0.00 0.00 174.94 172.00 2ka5 s ASP 66 N -1.45 5.33 0.27 4.50 1.01 -1.26 -4.85 116.67 120.22 2ka5 s ASP 66 Ca -0.08 1.92 0.21 0.00 0.71 0.00 0.00 52.55 55.31 2ka5 s ASP 66 Cb -0.09 -2.54 1.02 0.00 1.01 0.00 0.00 42.92 42.32 2ka5 s ASP 66 CO 0.00 -1.48 1.64 -1.54 0.21 0.00 0.00 175.17 174.01 2ka5 n SER 67 N -2.34 0.56 0.00 0.27 3.41 -1.26 -2.30 113.62 111.95 2ka5 n SER 67 Ca 0.10 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 2ka5 n SER 67 Cb 0.52 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.19 0.00 0.01 7.33 -0.00 -1.26 -3.95 117.46 117.40 2ka5 n PHE 68 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.46 2ka5 n PHE 68 Cb 0.11 -0.43 0.34 0.00 -0.00 0.00 0.00 39.48 39.50 2ka5 n PHE 68 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2ka5 h SER 69 N 0.00 0.46 -1.01 -2.13 0.87 -1.88 -1.07 113.55 108.78 2ka5 h SER 69 Ca 0.00 -0.07 0.41 0.00 -1.23 0.00 0.00 61.79 60.90 2ka5 h SER 69 Cb 0.00 -0.12 -0.17 0.00 -0.44 0.00 0.00 62.40 61.67 2ka5 h SER 69 CO 0.00 0.49 0.56 0.25 -0.53 0.00 0.00 176.83 177.59 2ka5 h LEU 70 N 0.49 0.34 -1.61 2.23 5.85 -1.63 0.83 115.31 121.81 2ka5 h LEU 70 Ca 0.11 0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2ka5 h LEU 70 Cb 0.23 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2ka5 h LEU 70 CO 0.00 -0.39 0.00 0.61 -0.34 0.00 0.00 178.44 178.32 2ka5 n GLY 71 N -1.27 0.12 0.11 3.75 0.00 -0.44 -3.72 105.19 103.74 2ka5 n GLY 71 Ca 0.37 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2ka5 n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ka5 h VAL 72 N 2.93 1.55 0.59 1.61 2.07 -0.56 -3.20 116.25 121.24 2ka5 h VAL 72 Ca 0.00 -2.62 -0.03 0.00 0.82 0.00 0.00 66.70 64.87 2ka5 h VAL 72 Cb 0.63 2.41 0.01 0.00 -1.52 0.00 0.00 31.29 32.82 2ka5 h VAL 72 CO 0.00 0.75 -0.28 0.40 0.02 0.00 0.00 177.57 178.45 2ka5 h ILE 73 N 0.00 0.00 -0.92 4.57 2.04 -1.18 -3.22 117.51 118.80 2ka5 h ILE 73 Ca -0.01 -0.30 0.20 0.00 1.00 0.00 0.00 64.86 65.75 2ka5 h ILE 73 Cb 1.35 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.26 2ka5 h ILE 73 CO 0.10 0.00 -0.16 1.62 0.00 0.00 0.00 178.15 179.71 2ka5 h VAL 74 N -1.10 0.09 -1.14 1.67 3.04 -1.72 -1.05 116.25 116.05 2ka5 h VAL 74 Ca -0.08 -0.00 0.34 0.00 -1.01 0.00 0.00 66.70 65.94 2ka5 h VAL 74 Cb 0.61 0.08 -0.11 0.00 -2.01 0.00 0.00 31.29 29.86 2ka5 h VAL 74 CO 0.13 0.00 0.72 -1.13 -1.01 0.00 0.00 177.57 176.29 2ka5 h ASN 75 N 0.01 0.38 -0.23 3.17 -0.73 -1.57 0.21 115.58 116.83 2ka5 h ASN 75 Ca 0.47 0.12 -0.02 0.00 1.87 0.00 0.00 56.30 58.74 2ka5 h ASN 75 Cb 0.78 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.43 2ka5 h ASN 75 CO -0.92 -0.05 0.06 0.40 -0.37 0.00 0.00 177.43 176.55 2ka5 h ILE 76 N 0.27 1.21 -0.45 2.57 2.04 -1.20 -2.93 117.51 119.03 2ka5 h ILE 76 Ca 0.70 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 65.97 2ka5 h ILE 76 Cb 1.93 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 39.15 2ka5 h ILE 76 CO -0.39 0.21 0.01 0.25 0.00 0.00 0.00 178.15 178.23 2ka5 h LEU 77 N 0.19 -0.16 -0.76 1.44 7.12 -0.63 -1.50 115.31 121.01 2ka5 h LEU 77 Ca 0.07 0.10 0.07 0.00 0.13 0.00 0.00 57.88 58.25 2ka5 h LEU 77 Cb 0.27 0.18 -0.06 0.00 -0.53 0.00 0.00 40.66 40.52 2ka5 h LEU 77 CO 0.00 -0.05 0.44 0.11 -0.13 0.00 0.00 178.44 178.81 2ka5 h LYS 78 N 0.12 0.76 0.41 1.25 1.57 -1.18 0.22 116.57 119.73 2ka5 h LYS 78 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2ka5 h LYS 78 Cb 0.32 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2ka5 h LYS 78 CO -0.36 0.51 -0.26 0.77 -0.57 0.00 0.00 179.45 179.53 2ka5 h SER 79 N 0.79 -0.67 -0.67 0.86 0.02 -1.30 -3.01 113.55 109.57 2ka5 h SER 79 Ca 0.34 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2ka5 h SER 79 Cb 0.22 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2ka5 h SER 79 CO -0.20 -0.40 0.37 0.40 -1.14 0.00 0.00 176.83 175.87 2ka5 h ILE 80 N -0.63 1.21 -0.36 3.27 2.04 -0.14 0.72 117.51 123.61 2ka5 h ILE 80 Ca -0.05 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.33 2ka5 h ILE 80 Cb 0.51 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2ka5 h ILE 80 CO 0.05 0.23 0.13 0.28 0.00 0.00 0.00 178.15 178.84 2ka5 h SER 81 N 0.91 0.15 -0.23 1.72 0.02 -0.78 0.17 113.55 115.51 2ka5 h SER 81 Ca 0.23 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2ka5 h SER 81 Cb 0.03 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2ka5 h SER 81 CO -0.04 0.12 0.02 0.28 -1.14 0.00 0.00 176.83 176.08 2ka5 h SER 82 N 0.29 0.47 -0.35 3.07 0.02 -1.08 -2.11 113.55 113.86 2ka5 h SER 82 Ca 0.16 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2ka5 h SER 82 Cb 0.13 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2ka5 h SER 82 CO -0.16 0.53 -0.19 0.28 -1.14 0.00 0.00 176.83 176.15 2ka5 h SER 83 N 0.49 0.85 0.00 3.07 0.02 -0.27 -3.48 113.55 114.23 2ka5 h SER 83 Ca 0.11 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2ka5 h SER 83 Cb 0.29 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2ka5 h SER 83 CO 0.01 1.02 0.00 0.61 -1.14 0.00 0.00 176.83 177.33 2ka5 n GLY 84 N -0.25 0.76 2.27 -3.77 0.00 0.40 -5.09 105.19 99.51 2ka5 n GLY 84 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 2.44 2.70 -0.02 0.00 -0.05 -4.96 105.19 105.30 2ka5 n GLY 85 Ca 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.61 1.84 -0.14 1.61 0.08 -0.20 -4.14 117.98 113.43 2ka5 s PHE 86 Ca 0.19 -2.22 -0.05 0.00 0.12 0.00 0.00 56.93 54.97 2ka5 s PHE 86 Cb -0.01 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2ka5 s PHE 86 CO 0.14 -0.81 0.04 0.12 -0.10 0.00 0.00 175.22 174.61 2ka5 s PHE 87 N 0.69 3.25 0.17 0.36 5.36 -1.26 -2.79 117.98 123.76 2ka5 s PHE 87 Ca 0.16 0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 56.24 2ka5 s PHE 87 Cb -0.23 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.47 2ka5 s PHE 87 CO -0.05 0.33 0.16 0.00 -1.46 0.00 0.00 175.22 174.20 2ka5 s ALA 88 N -0.25 0.71 0.16 11.12 0.00 -1.07 -3.65 121.76 128.78 2ka5 s ALA 88 Ca 0.07 -1.39 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2ka5 s ALA 88 Cb -0.12 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 2ka5 s ALA 88 CO 0.02 -0.59 -0.09 -0.51 0.00 0.00 0.00 175.76 174.58 2ka5 s LEU 89 N -3.07 3.00 -0.02 0.00 1.02 0.35 -1.74 118.68 118.21 2ka5 s LEU 89 Ca 0.28 -0.52 -0.01 0.00 0.02 0.00 0.00 54.13 53.90 2ka5 s LEU 89 Cb 0.06 -1.72 0.02 0.00 0.02 0.00 0.00 46.19 44.57 2ka5 s LEU 89 CO 0.06 0.12 0.05 -0.69 0.02 0.00 0.00 176.35 175.91 2ka5 s VAL 90 N -1.56 -0.03 -1.25 -1.59 1.01 0.19 -1.09 120.40 116.10 2ka5 s VAL 90 Ca 0.24 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 2ka5 s VAL 90 Cb -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 2ka5 s VAL 90 CO 0.15 0.04 0.64 -0.24 0.00 0.00 0.00 175.10 175.69 2ka5 n SER 91 N 3.59 -3.30 0.00 3.32 2.88 -0.83 -1.26 113.62 118.02 2ka5 n SER 91 Ca -0.19 -1.04 0.10 0.00 -1.33 0.00 0.00 58.87 56.41 2ka5 n SER 91 Cb 0.55 -3.11 0.58 0.00 -0.75 0.00 0.00 64.21 61.49 2ka5 n SER 91 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ka5 n PRO 92 N -4.35 0.62 0.00 -1.46 -0.04 -1.26 -3.78 135.00 124.73 2ka5 n PRO 92 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2ka5 n PRO 92 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2ka5 n PRO 92 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ka5 n ASN 93 N -1.00 -1.49 -0.08 3.54 0.23 -1.26 -3.28 115.26 111.92 2ka5 n ASN 93 Ca 0.15 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.99 2ka5 n ASN 93 Cb 0.07 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.64 2ka5 n ASN 93 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2ka5 n GLU 94 N -0.23 0.68 -0.06 -3.83 2.13 -1.26 -3.97 120.64 114.09 2ka5 n GLU 94 Ca 0.00 0.23 -0.07 0.00 0.66 0.00 0.00 57.16 57.97 2ka5 n GLU 94 Cb 0.00 -1.60 -0.01 0.00 0.27 0.00 0.00 31.44 30.10 2ka5 n GLU 94 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2ka5 h LYS 95 N -0.13 -0.08 -0.11 5.31 1.63 -1.88 0.17 116.57 121.48 2ka5 h LYS 95 Ca -0.52 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.25 2ka5 h LYS 95 Cb 1.89 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.53 2ka5 h LYS 95 CO -0.06 -0.05 -0.07 0.28 -3.45 0.00 0.00 179.45 176.09 2ka5 h VAL 96 N -0.08 1.33 0.00 2.00 2.07 -1.75 -3.00 116.25 116.82 2ka5 h VAL 96 Ca 0.13 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2ka5 h VAL 96 Cb 0.28 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2ka5 h VAL 96 CO -0.31 0.33 0.00 -0.33 0.02 0.00 0.00 177.57 177.28 2ka5 h GLU 97 N -0.13 0.00 0.00 1.57 5.08 -1.40 -0.12 114.58 119.59 2ka5 h GLU 97 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2ka5 h GLU 97 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ka5 h GLU 97 CO 0.02 0.00 0.00 0.07 -1.00 0.00 0.00 179.01 178.10 2ka5 h ARG 98 N 0.00 0.00 0.00 2.33 -0.00 -0.54 -2.65 114.38 113.52 2ka5 h ARG 98 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 2ka5 h ARG 98 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.01 2ka5 h ARG 98 CO 0.00 0.00 -1.10 0.28 -0.00 0.00 0.00 179.97 179.15 2ka5 n VAL 99 N -2.38 0.10 0.20 0.08 0.31 -0.40 -4.48 118.33 111.77 2ka5 n VAL 99 Ca 0.02 -0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.41 2ka5 n VAL 99 Cb 0.23 -0.80 0.58 0.00 -0.91 0.00 0.00 33.84 32.95 2ka5 n VAL 99 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ka5 n LEU 100 N -2.26 0.59 0.07 7.52 7.99 -0.19 -0.18 117.00 130.53 2ka5 n LEU 100 Ca -0.03 0.75 -0.06 0.00 -0.01 0.00 0.00 56.01 56.66 2ka5 n LEU 100 Cb 0.54 -0.80 -0.10 0.00 -0.11 0.00 0.00 43.42 42.95 2ka5 n LEU 100 CO 0.03 -0.90 0.18 0.28 -1.51 0.00 0.00 177.39 175.46 2ka5 h SER 101 N 0.00 0.00 0.58 -1.43 0.02 -1.69 0.98 113.55 112.01 2ka5 h SER 101 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2ka5 h SER 101 Cb 0.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2ka5 h SER 101 CO 0.00 0.95 -1.54 0.18 -1.14 0.00 0.00 176.83 175.28 2ka5 n LEU 102 N -3.36 0.69 -1.66 5.07 4.32 0.75 -3.27 117.00 119.54 2ka5 n LEU 102 Ca 0.00 0.30 -0.17 0.00 -0.02 0.00 0.00 56.01 56.13 2ka5 n LEU 102 Cb 0.91 0.10 0.11 0.00 -1.62 0.00 0.00 43.42 42.93 2ka5 n LEU 102 CO 0.46 0.15 0.62 1.07 -1.22 0.00 0.00 177.39 178.47 2ka5 n THR 103 N -2.80 2.72 -3.89 -5.08 5.66 -0.84 -4.99 114.28 105.05 2ka5 n THR 103 Ca -0.11 -3.36 -0.32 0.00 -3.05 0.00 0.00 64.05 57.20 2ka5 n THR 103 Cb 0.83 -0.77 0.01 0.00 -1.55 0.00 0.00 70.33 68.86 2ka5 n THR 103 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2ka5 n ASN 104 N -0.94 -3.23 -0.03 1.09 2.04 -1.20 -4.85 115.26 108.13 2ka5 n ASN 104 Ca 0.42 -0.94 -0.07 0.00 -0.44 0.00 0.00 54.58 53.54 2ka5 n ASN 104 Cb 0.93 -1.20 -0.02 0.00 -2.53 0.00 0.00 39.78 36.95 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 2ka5 n LEU 105 N -3.64 0.65 0.28 -4.53 -0.00 0.24 -4.30 117.00 105.70 2ka5 n LEU 105 Ca -0.12 0.11 0.14 0.00 -0.00 0.00 0.00 56.01 56.13 2ka5 n LEU 105 Cb 0.45 -0.26 0.80 0.00 -0.00 0.00 0.00 43.42 44.42 2ka5 n LEU 105 CO 0.55 0.04 1.03 -2.24 -0.00 0.00 0.00 177.39 176.77 2ka5 h ASP 106 N -0.27 0.00 1.12 1.96 2.03 -1.49 0.14 116.42 119.91 2ka5 h ASP 106 Ca -0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2ka5 h ASP 106 Cb 1.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 2ka5 h ASP 106 CO -0.10 0.08 -0.00 0.54 -1.03 0.00 0.00 179.24 178.73 2ka5 n ARG 107 N -3.64 0.07 0.00 4.15 1.74 -1.26 -4.26 116.66 113.46 2ka5 n ARG 107 Ca -0.02 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2ka5 n ARG 107 Cb 0.19 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.70 0.00 -4.17 0.55 5.41 -0.98 -5.01 119.36 113.47 2ka5 n ILE 108 Ca 0.07 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.46 2ka5 n ILE 108 Cb 0.36 -0.38 -0.08 0.00 -0.71 0.00 0.00 39.64 38.83 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 -1.60 4.77 0.75 1.39 1.01 -0.00 -5.05 120.40 121.68 2ka5 s VAL 109 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 2ka5 s VAL 109 Cb 0.00 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.37 2ka5 s VAL 109 CO 0.00 0.56 1.10 -0.54 0.00 0.00 0.00 175.10 176.22 2ka5 s LYS 110 N -1.09 2.33 0.04 2.72 -0.14 -1.24 -4.39 119.74 117.97 2ka5 s LYS 110 Ca 0.16 1.22 0.04 0.00 -1.36 0.00 0.00 55.97 56.04 2ka5 s LYS 110 Cb -0.12 -1.90 -0.02 0.00 -1.68 0.00 0.00 37.83 34.11 2ka5 s LYS 110 CO 0.05 -1.59 -0.13 0.42 -0.76 0.00 0.00 175.35 173.34 2ka5 s ILE 111 N -2.78 1.02 0.20 2.17 1.09 -1.26 -0.50 121.20 121.15 2ka5 s ILE 111 Ca 0.62 -1.00 -0.08 0.00 -1.10 0.00 0.00 60.65 59.09 2ka5 s ILE 111 Cb -0.18 -0.95 -0.02 0.00 -1.06 0.00 0.00 42.46 40.26 2ka5 s ILE 111 CO 0.53 -0.05 0.31 -0.31 -0.10 0.00 0.00 174.94 175.32 2ka5 s TYR 112 N -0.91 0.59 -0.15 3.97 2.02 -0.25 -4.91 117.35 117.71 2ka5 s TYR 112 Ca 0.00 -0.91 -0.23 0.00 -0.37 0.00 0.00 57.07 55.56 2ka5 s TYR 112 Cb -0.08 -0.10 -0.20 0.00 -0.40 0.00 0.00 41.96 41.18 2ka5 s TYR 112 CO 0.01 -0.79 0.51 -0.44 -1.57 0.00 0.00 175.55 173.27 2ka5 h ASP 113 N 2.47 0.00 -3.70 2.29 3.32 -1.91 -2.47 116.42 116.43 2ka5 h ASP 113 Ca -0.31 -0.72 -0.45 0.00 0.02 0.00 0.00 57.03 55.58 2ka5 h ASP 113 Cb 1.24 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.65 2ka5 h ASP 113 CO 0.45 1.03 -0.59 0.42 -1.72 0.00 0.00 179.24 178.83 2ka5 s THR 114 N -2.16 0.85 0.19 0.35 -4.23 -1.26 -1.97 115.64 107.41 2ka5 s THR 114 Ca -0.18 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.25 2ka5 s THR 114 Cb -0.01 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 71.24 2ka5 s THR 114 CO 0.56 0.00 1.64 0.40 -0.54 0.00 0.00 174.62 176.68 2ka5 h ILE 115 N 2.15 1.26 -0.38 2.99 1.08 -1.97 -3.02 117.51 119.62 2ka5 h ILE 115 Ca -0.39 -1.19 -0.10 0.00 -0.39 0.00 0.00 64.86 62.79 2ka5 h ILE 115 Cb 1.25 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 2ka5 h ILE 115 CO 0.64 0.42 -0.19 -1.28 -0.69 0.00 0.00 178.15 177.05 2ka5 h SER 116 N 0.91 0.73 0.10 1.72 0.87 -1.99 0.26 113.55 116.15 2ka5 h SER 116 Ca 0.15 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2ka5 h SER 116 Cb 0.60 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2ka5 h SER 116 CO 0.04 0.92 0.00 1.21 -0.53 0.00 0.00 176.83 178.47 2ka5 n GLU 117 N -4.13 0.01 -0.02 2.24 2.13 -1.15 -2.73 120.64 117.00 2ka5 n GLU 117 Ca 0.00 0.41 -0.02 0.00 0.66 0.00 0.00 57.16 58.22 2ka5 n GLU 117 Cb 0.41 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.59 2ka5 n GLU 117 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ka5 n ALA 118 N -1.47 1.92 -0.11 4.31 0.00 -0.31 -4.49 120.51 120.36 2ka5 n ALA 118 Ca 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 2ka5 n ALA 118 Cb 0.04 0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 0.48 -0.02 0.00 4.05 -0.35 0.26 114.93 119.36 2ka5 h MET 119 Ca -0.09 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2ka5 h MET 119 Cb 1.18 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 2ka5 h MET 119 CO -0.00 0.41 -0.24 -0.85 0.23 0.00 0.00 176.91 176.45 2ka5 n GLU 120 N -4.77 1.67 -0.05 0.39 0.28 -1.26 -4.32 120.64 112.58 2ka5 n GLU 120 Ca -0.01 -1.34 -0.04 0.00 -0.16 0.00 0.00 57.16 55.61 2ka5 n GLU 120 Cb 0.09 -1.42 -0.01 0.00 1.43 0.00 0.00 31.44 31.52 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 0.53 0.34 -0.40 3.44 4.07 -0.70 -4.24 120.64 123.69 2ka5 n GLU 121 Ca 0.11 0.42 0.33 0.00 -0.06 0.00 0.00 57.16 57.95 2ka5 n GLU 121 Cb 0.49 -1.41 0.60 0.00 -0.06 0.00 0.00 31.44 31.06 2ka5 n GLU 121 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2ka5 h VAL 122 N -0.74 0.14 -1.27 6.31 3.04 -0.76 0.35 116.25 123.33 2ka5 h VAL 122 Ca 0.00 -0.04 0.39 0.00 -1.01 0.00 0.00 66.70 66.04 2ka5 h VAL 122 Cb 0.43 0.01 -0.11 0.00 -2.01 0.00 0.00 31.29 29.60 2ka5 h VAL 122 CO 0.00 0.02 0.83 0.03 -1.01 0.00 0.00 177.57 177.44 2ka5 h ARG 123 N 0.12 0.15 0.00 4.17 2.47 -1.75 -2.48 114.38 117.06 2ka5 h ARG 123 Ca 0.80 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 59.46 2ka5 h ARG 123 Cb 2.32 -0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 30.50 2ka5 h ARG 123 CO -0.51 0.10 -0.63 2.89 0.56 0.00 0.00 179.97 182.38 2ka5 n ARG 124 N -4.61 0.00 0.00 0.04 0.00 0.69 -5.14 116.66 107.64 2ka5 n ARG 124 Ca 0.34 -1.24 0.00 0.00 -0.00 0.00 0.00 57.85 56.95 2ka5 n ARG 124 Cb 1.31 -0.32 0.00 0.00 -0.00 0.00 0.00 32.46 33.45 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99