#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 0.52 0.00 3.03 0.00 -1.26 -5.07 105.19 102.42 2ka5 n GLY 2 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2ka5 n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ka5 n SER 3 N -2.93 0.00 -3.50 1.61 7.64 -1.26 -5.12 113.62 110.06 2ka5 n SER 3 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 2ka5 n SER 3 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2ka5 n SER 3 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ka5 n ASP 4 N -0.98 -5.64 -3.70 6.43 2.03 -1.26 -5.03 116.55 108.40 2ka5 n ASP 4 Ca 0.00 -0.28 -0.20 0.00 0.52 0.00 0.00 54.79 54.84 2ka5 n ASP 4 Cb 0.00 -2.09 -0.18 0.00 -0.72 0.00 0.00 41.12 38.13 2ka5 n ASP 4 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2ka5 s LYS 5 N -3.04 0.01 -0.00 -0.67 2.20 -1.26 -5.14 119.74 111.84 2ka5 s LYS 5 Ca 0.28 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 2ka5 s LYS 5 Cb -0.03 -0.53 0.00 0.00 -1.51 0.00 0.00 37.83 35.76 2ka5 s LYS 5 CO 0.87 -0.30 -0.01 0.96 -0.36 0.00 0.00 175.35 176.51 2ka5 s ILE 6 N 1.99 0.06 0.31 5.43 -0.00 -1.26 -5.16 121.20 122.56 2ka5 s ILE 6 Ca 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.66 2ka5 s ILE 6 Cb -0.12 -0.07 -0.04 0.00 -0.00 0.00 0.00 42.46 42.23 2ka5 s ILE 6 CO -0.03 0.02 0.51 -1.00 -0.00 0.00 0.00 174.94 174.45 2ka5 s HIS 7 N 0.06 3.49 0.00 1.37 3.76 -1.26 -5.12 115.29 117.59 2ka5 s HIS 7 Ca -0.00 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 2ka5 s HIS 7 Cb -0.01 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.76 2ka5 s HIS 7 CO -0.00 0.19 0.00 1.58 -0.85 0.00 0.00 174.74 175.66 2ka5 n HIS 8 N -1.41 -0.22 -2.66 1.40 -0.00 -1.26 -5.19 115.22 105.87 2ka5 n HIS 8 Ca -0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.75 2ka5 n HIS 8 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.52 2ka5 n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ka5 n HIS 9 N 0.00 -2.48 -1.42 1.57 8.25 -1.26 -4.95 115.22 114.94 2ka5 n HIS 9 Ca 0.00 0.68 -0.14 0.00 -0.26 0.00 0.00 57.72 57.99 2ka5 n HIS 9 Cb 0.00 -1.16 -0.06 0.00 1.12 0.00 0.00 29.99 29.88 2ka5 n HIS 9 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ka5 n HIS 10 N -2.38 0.00 -3.80 4.41 -0.00 -1.26 -4.97 115.22 107.22 2ka5 n HIS 10 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.43 2ka5 n HIS 10 Cb 0.25 -2.56 -0.15 0.00 -0.00 0.00 0.00 29.99 27.53 2ka5 n HIS 10 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ka5 s HIS 11 N -2.52 2.06 -0.41 1.57 3.76 -1.26 -5.01 115.29 113.48 2ka5 s HIS 11 Ca 0.00 -1.87 0.04 0.00 -0.15 0.00 0.00 55.06 53.08 2ka5 s HIS 11 Cb 0.00 -1.84 0.17 0.00 1.11 0.00 0.00 32.58 32.02 2ka5 s HIS 11 CO 0.00 -0.86 0.39 -1.01 -0.85 0.00 0.00 174.74 172.41 2ka5 s HIS 12 N 1.50 0.40 0.07 1.40 3.76 -1.26 -4.99 115.29 116.16 2ka5 s HIS 12 Ca 0.07 -1.72 0.00 0.00 -0.15 0.00 0.00 55.06 53.26 2ka5 s HIS 12 Cb -0.18 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 32.87 2ka5 s HIS 12 CO -0.19 -0.92 0.00 -1.33 -0.85 0.00 0.00 174.74 171.45 2ka5 n MET 13 N 3.25 0.00 -1.54 1.40 2.81 -1.26 -5.09 117.12 116.69 2ka5 n MET 13 Ca 0.23 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 56.03 2ka5 n MET 13 Cb 0.47 -0.46 0.01 0.00 -0.71 0.00 0.00 33.22 32.53 2ka5 n MET 13 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2ka5 n PHE 14 N -3.27 -0.56 -2.23 2.03 3.72 -1.26 -4.75 117.46 111.14 2ka5 n PHE 14 Ca 0.00 0.23 -0.38 0.00 -0.05 0.00 0.00 57.45 57.25 2ka5 n PHE 14 Cb 0.20 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 2ka5 n PHE 14 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ka5 s PRO 15 N -0.54 2.85 0.31 -1.08 0.04 -1.26 -4.89 135.00 130.43 2ka5 s PRO 15 Ca 0.08 0.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.08 2ka5 s PRO 15 Cb -0.01 -4.48 0.02 0.00 0.04 0.00 0.00 34.50 30.07 2ka5 s PRO 15 CO 0.18 -2.60 0.67 1.52 0.04 0.00 0.00 177.00 176.81 2ka5 s TYR 16 N 7.92 0.12 0.29 0.56 -0.85 -1.26 -1.37 117.35 122.76 2ka5 s TYR 16 Ca 0.56 -0.60 0.02 0.00 -0.52 0.00 0.00 57.07 56.54 2ka5 s TYR 16 Cb -0.10 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 2ka5 s TYR 16 CO 0.14 -1.28 0.14 0.21 -1.52 0.00 0.00 175.55 173.24 2ka5 s LYS 17 N -3.40 1.54 -0.01 -3.49 2.36 0.20 -4.92 119.74 112.01 2ka5 s LYS 17 Ca 0.16 -1.87 0.01 0.00 -2.55 0.00 0.00 55.97 51.72 2ka5 s LYS 17 Cb -0.04 -0.15 0.01 0.00 -1.05 0.00 0.00 37.83 36.60 2ka5 s LYS 17 CO 0.10 -0.40 -0.02 0.42 1.55 0.00 0.00 175.35 177.00 2ka5 s ILE 18 N -3.66 0.20 0.00 5.43 1.01 -1.26 -0.52 121.20 122.41 2ka5 s ILE 18 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2ka5 s ILE 18 Cb 0.06 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.30 2ka5 s ILE 18 CO 0.16 0.10 0.00 1.33 0.00 0.00 0.00 174.94 176.53 2ka5 n VAL 19 N 3.53 0.00 0.00 2.92 0.24 0.01 -4.99 118.33 120.04 2ka5 n VAL 19 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2ka5 n VAL 19 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 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 0.00 0.00 -0.58 -1.34 9.92 -1.26 -4.38 116.55 118.91 2ka5 n ASP 20 Ca 0.00 0.94 -0.00 0.00 -0.53 0.00 0.00 54.79 55.20 2ka5 n ASP 20 Cb 0.00 -0.44 -0.00 0.00 -0.64 0.00 0.00 41.12 40.04 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 -2.67 0.02 -4.13 -2.24 9.92 -1.26 -5.11 116.55 111.08 2ka5 n ASP 21 Ca 0.00 -1.64 -0.18 0.00 -0.53 0.00 0.00 54.79 52.44 2ka5 n ASP 21 Cb 0.00 -0.12 -0.13 0.00 -0.64 0.00 0.00 41.12 40.24 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 0.99 0.09 2.53 1.01 -1.26 -4.58 120.40 119.18 2ka5 s VAL 22 Ca 0.02 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2ka5 s VAL 22 Cb 0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2ka5 s VAL 22 CO -0.01 -0.13 0.13 -0.69 0.00 0.00 0.00 175.10 174.40 2ka5 s VAL 23 N -1.05 4.78 -0.38 2.92 1.01 -0.99 -0.81 120.40 125.88 2ka5 s VAL 23 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2ka5 s VAL 23 Cb -0.09 -3.34 0.12 0.00 0.00 0.00 0.00 36.38 33.07 2ka5 s VAL 23 CO 0.01 0.08 0.17 -0.63 0.00 0.00 0.00 175.10 174.73 2ka5 s ILE 24 N -1.50 1.25 -0.41 2.22 1.09 0.33 -1.98 121.20 122.20 2ka5 s ILE 24 Ca 0.31 -2.07 -0.27 0.00 -1.10 0.00 0.00 60.65 57.52 2ka5 s ILE 24 Cb -0.12 -1.91 -0.03 0.00 -1.06 0.00 0.00 42.46 39.34 2ka5 s ILE 24 CO 0.24 -0.79 2.01 -0.76 -0.10 0.00 0.00 174.94 175.54 2ka5 s LEU 25 N 0.91 3.42 -0.79 2.97 1.02 -0.08 -0.63 118.68 125.49 2ka5 s LEU 25 Ca 0.14 1.12 0.02 0.00 0.02 0.00 0.00 54.13 55.44 2ka5 s LEU 25 Cb -0.21 -3.07 0.24 0.00 0.02 0.00 0.00 46.19 43.17 2ka5 s LEU 25 CO -0.10 -2.15 0.87 0.23 0.02 0.00 0.00 176.35 175.21 2ka5 n MET 26 N 8.79 2.85 -1.08 1.70 2.81 -0.47 -0.24 117.12 131.46 2ka5 n MET 26 Ca 0.26 -4.59 -0.30 0.00 -1.81 0.00 0.00 57.70 51.27 2ka5 n MET 26 Cb 0.49 -2.35 0.24 0.00 -0.71 0.00 0.00 33.22 30.89 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 -2.16 -1.14 0.00 0.03 0.05 -1.26 -4.58 135.00 125.94 2ka5 s PRO 27 Ca 0.33 -0.04 0.00 0.00 0.05 0.00 0.00 61.00 61.35 2ka5 s PRO 27 Cb 0.05 -1.60 0.00 0.00 0.05 0.00 0.00 34.50 33.00 2ka5 s PRO 27 CO -0.04 -3.66 0.00 0.27 0.05 0.00 0.00 177.00 173.62 2ka5 n ASN 28 N -4.73 0.00 -1.01 6.66 6.94 -1.26 -4.47 115.26 117.38 2ka5 n ASN 28 Ca 0.13 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.72 2ka5 n ASN 28 Cb 0.59 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 38.06 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 -1.00 0.25 0.00 -3.83 4.01 -1.26 -4.65 118.16 111.69 2ka5 n LYS 29 Ca 0.00 -1.88 0.12 0.00 -0.51 0.00 0.00 58.31 56.04 2ka5 n LYS 29 Cb 0.00 -0.42 0.26 0.00 -0.51 0.00 0.00 35.03 34.35 2ka5 n LYS 29 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2ka5 n GLU 30 N 0.05 0.39 -2.39 1.97 1.02 -1.26 -4.70 120.64 115.72 2ka5 n GLU 30 Ca 0.06 -0.24 -0.43 0.00 -0.02 0.00 0.00 57.16 56.53 2ka5 n GLU 30 Cb 0.93 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 2ka5 n GLU 30 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ka5 n LEU 31 N -1.10 5.75 -3.34 -4.62 4.32 -1.26 -4.69 117.00 112.06 2ka5 n LEU 31 Ca 0.08 -4.18 -0.37 0.00 -0.02 0.00 0.00 56.01 51.52 2ka5 n LEU 31 Cb 0.35 -1.66 0.01 0.00 -1.62 0.00 0.00 43.42 40.49 2ka5 n LEU 31 CO 0.32 0.69 1.08 -0.46 -1.22 0.00 0.00 177.39 177.79 2ka5 n ASN 32 N 6.62 6.56 0.00 -1.43 0.23 -1.26 -4.98 115.26 121.00 2ka5 n ASN 32 Ca 0.46 -3.71 0.00 0.00 -0.53 0.00 0.00 54.58 50.80 2ka5 n ASN 32 Cb 0.42 -0.98 0.00 0.00 -2.08 0.00 0.00 39.78 37.14 2ka5 n ASN 32 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2ka5 n ILE 33 N -0.18 0.00 0.31 1.53 2.08 -1.26 -3.49 119.36 118.35 2ka5 n ILE 33 Ca 0.43 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.91 2ka5 n ILE 33 Cb 0.31 0.00 0.72 0.00 -0.75 0.00 0.00 39.64 39.92 2ka5 n ILE 33 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2ka5 h GLU 34 N 0.00 0.00 -1.04 0.38 5.08 -1.95 -0.11 114.58 116.94 2ka5 h GLU 34 Ca 0.00 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.71 2ka5 h GLU 34 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2ka5 h GLU 34 CO 0.00 0.00 0.60 -0.97 -1.00 0.00 0.00 179.01 177.64 2ka5 h ASN 35 N 0.00 0.45 -0.47 1.42 -0.73 -1.83 0.22 115.58 114.63 2ka5 h ASN 35 Ca 0.00 0.19 -0.00 0.00 1.87 0.00 0.00 56.30 58.36 2ka5 h ASN 35 Cb 0.33 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 2ka5 h ASN 35 CO 0.00 -0.19 0.27 0.00 -0.37 0.00 0.00 177.43 177.14 2ka5 h ALA 36 N 1.84 0.60 -0.29 1.57 0.00 -1.34 0.28 119.26 121.92 2ka5 h ALA 36 Ca 0.76 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.54 2ka5 h ALA 36 Cb 1.88 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2ka5 h ALA 36 CO -0.61 0.10 -0.06 0.45 0.00 0.00 0.00 179.25 179.13 2ka5 h HIS 37 N 0.62 0.62 0.00 0.00 3.86 -1.12 -2.48 115.15 116.66 2ka5 h HIS 37 Ca 0.17 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2ka5 h HIS 37 Cb 0.01 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.33 2ka5 h HIS 37 CO -0.03 0.75 0.00 1.37 0.86 0.00 0.00 177.93 180.88 2ka5 h LEU 38 N 0.32 0.00 -0.66 2.43 -0.00 -1.56 -3.36 115.31 112.48 2ka5 h LEU 38 Ca 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 58.07 2ka5 h LEU 38 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.08 2ka5 h LEU 38 CO 0.03 0.00 -0.34 0.15 -0.00 0.00 0.00 178.44 178.28 2ka5 h PHE 39 N 0.00 -0.94 0.17 0.17 3.57 -0.44 0.14 116.94 119.60 2ka5 h PHE 39 Ca 0.00 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2ka5 h PHE 39 Cb 0.98 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 2ka5 h PHE 39 CO 0.00 -0.38 -0.22 -0.22 -2.23 0.00 0.00 178.31 175.26 2ka5 h LYS 40 N -0.13 -0.42 -0.42 1.11 3.64 -1.70 0.80 116.57 119.45 2ka5 h LYS 40 Ca 0.25 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 2ka5 h LYS 40 Cb 0.56 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 2ka5 h LYS 40 CO -0.73 -0.28 0.17 -0.22 -2.27 0.00 0.00 179.45 176.12 2ka5 h LYS 41 N -0.44 0.34 0.34 1.90 3.64 -1.14 0.79 116.57 122.01 2ka5 h LYS 41 Ca 0.01 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2ka5 h LYS 41 Cb 0.43 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2ka5 h LYS 41 CO -0.08 0.23 -0.17 2.35 -2.27 0.00 0.00 179.45 179.51 2ka5 h TRP 42 N 0.35 -0.43 -0.99 1.91 7.01 -0.65 -0.25 115.95 122.90 2ka5 h TRP 42 Ca 0.19 -0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.40 2ka5 h TRP 42 Cb 0.15 0.14 -0.10 0.00 -2.10 0.00 0.00 29.16 27.25 2ka5 h TRP 42 CO -0.13 -0.27 0.62 0.28 -2.79 0.00 0.00 178.44 176.16 2ka5 h VAL 43 N -0.51 0.63 0.00 2.65 2.07 -0.75 0.16 116.25 120.51 2ka5 h VAL 43 Ca -0.05 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2ka5 h VAL 43 Cb 0.35 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2ka5 h VAL 43 CO 0.08 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.26 2ka5 n PHE 44 N -4.69 0.00 -0.30 1.57 3.01 0.26 -2.03 117.46 115.29 2ka5 n PHE 44 Ca 0.23 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.81 2ka5 n PHE 44 Cb 0.70 -0.30 0.28 0.00 -0.01 0.00 0.00 39.48 40.15 2ka5 n PHE 44 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2ka5 h ASP 45 N 0.00 0.33 0.86 4.37 3.58 0.25 0.40 116.42 126.21 2ka5 h ASP 45 Ca 0.00 0.14 -0.22 0.00 0.42 0.00 0.00 57.03 57.38 2ka5 h ASP 45 Cb 0.00 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2ka5 h ASP 45 CO 0.00 0.04 -1.21 -0.08 -2.88 0.00 0.00 179.24 175.10 2ka5 h GLU 46 N 0.43 0.00 0.00 0.28 4.57 -0.86 -3.22 114.58 115.77 2ka5 h GLU 46 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 2ka5 h GLU 46 Cb 0.94 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 2ka5 h GLU 46 CO -0.50 0.67 0.00 1.19 -1.18 0.00 0.00 179.01 179.19 2ka5 n PHE 47 N -3.17 -0.38 0.19 0.92 3.72 -0.86 -4.68 117.46 113.21 2ka5 n PHE 47 Ca -0.06 0.07 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2ka5 n PHE 47 Cb 0.93 0.23 -0.08 0.00 -0.94 0.00 0.00 39.48 39.63 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 -0.37 -1.27 4.37 3.38 0.01 0.17 115.31 121.60 2ka5 h LEU 48 Ca 0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2ka5 h LEU 48 Cb 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2ka5 h LEU 48 CO 0.00 -0.22 -0.36 0.78 0.09 0.00 0.00 178.44 178.73 2ka5 h ASN 49 N -0.50 0.00 0.27 -0.43 2.35 -0.64 -0.59 115.58 116.04 2ka5 h ASN 49 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2ka5 h ASN 49 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 2ka5 h ASN 49 CO 0.07 0.36 -0.08 0.11 -1.65 0.00 0.00 177.43 176.25 2ka5 h LYS 50 N 0.00 0.00 0.00 0.81 1.57 -1.33 -3.47 116.57 114.15 2ka5 h LYS 50 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ka5 h LYS 50 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2ka5 h LYS 50 CO 0.05 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 2ka5 n GLY 51 N -0.84 1.07 3.74 3.86 0.00 -0.11 -5.01 105.19 107.89 2ka5 n GLY 51 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 2.29 0.00 1.61 1.51 0.40 -4.95 117.35 116.21 2ka5 s TYR 52 Ca 0.00 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.66 2ka5 s TYR 52 Cb 0.00 -3.27 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 2ka5 s TYR 52 CO 0.00 -2.16 0.20 0.09 -1.11 0.00 0.00 175.55 172.57 2ka5 n ASN 53 N -2.98 0.32 -3.75 2.29 4.13 -1.26 -4.24 115.26 109.76 2ka5 n ASN 53 Ca 0.11 -1.03 -0.20 0.00 1.68 0.00 0.00 54.58 55.14 2ka5 n ASN 53 Cb 0.52 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.58 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 -0.03 0.23 0.05 3.52 1.02 -1.26 -1.07 119.74 122.20 2ka5 s LYS 54 Ca 0.00 0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.21 2ka5 s LYS 54 Cb 0.00 -0.63 -0.03 0.00 -0.52 0.00 0.00 37.83 36.65 2ka5 s LYS 54 CO 0.00 -0.26 -0.06 0.42 -0.92 0.00 0.00 175.35 174.53 2ka5 s ILE 55 N 1.74 0.42 -0.06 2.17 1.09 -1.19 -2.35 121.20 123.02 2ka5 s ILE 55 Ca 0.00 -1.26 -0.03 0.00 -1.10 0.00 0.00 60.65 58.27 2ka5 s ILE 55 Cb -0.13 -0.80 0.04 0.00 -1.06 0.00 0.00 42.46 40.51 2ka5 s ILE 55 CO -0.03 -0.56 0.10 -0.36 -0.10 0.00 0.00 174.94 173.99 2ka5 s PHE 56 N -2.06 -0.04 -0.27 3.97 0.08 -0.84 -2.86 117.98 115.96 2ka5 s PHE 56 Ca -0.06 0.41 -0.20 0.00 0.12 0.00 0.00 56.93 57.20 2ka5 s PHE 56 Cb -0.05 -0.39 -0.02 0.00 -0.57 0.00 0.00 43.02 41.99 2ka5 s PHE 56 CO -0.02 -0.22 0.61 -1.17 -0.10 0.00 0.00 175.22 174.32 2ka5 s LEU 57 N 2.21 4.08 0.37 -0.37 2.96 -0.42 -0.91 118.68 126.61 2ka5 s LEU 57 Ca 0.04 0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 54.47 2ka5 s LEU 57 Cb -0.12 -2.82 -0.06 0.00 0.50 0.00 0.00 46.19 43.69 2ka5 s LEU 57 CO -0.04 -0.39 0.71 0.68 -1.32 0.00 0.00 176.35 175.99 2ka5 s VAL 58 N 2.51 4.85 0.00 1.68 -7.23 0.66 -0.32 120.40 122.55 2ka5 s VAL 58 Ca 0.25 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.88 2ka5 s VAL 58 Cb -0.15 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.05 2ka5 s VAL 58 CO 0.09 -0.47 0.54 0.18 -0.31 0.00 0.00 175.10 175.13 2ka5 n LEU 59 N -1.21 0.51 -0.20 1.32 4.32 -0.17 -4.22 117.00 117.34 2ka5 n LEU 59 Ca 0.01 -0.51 0.10 0.00 -0.02 0.00 0.00 56.01 55.59 2ka5 n LEU 59 Cb 0.54 0.00 0.39 0.00 -1.62 0.00 0.00 43.42 42.73 2ka5 n LEU 59 CO 0.48 0.13 1.21 -1.28 -1.22 0.00 0.00 177.39 176.71 2ka5 h SER 60 N 0.00 0.60 0.21 -1.43 0.87 -1.69 -0.99 113.55 111.13 2ka5 h SER 60 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2ka5 h SER 60 Cb 0.76 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2ka5 h SER 60 CO 0.00 0.35 -0.93 -0.67 -0.53 0.00 0.00 176.83 175.06 2ka5 n ASP 61 N -4.50 0.75 -4.30 6.23 -0.08 -1.26 -4.90 116.55 108.49 2ka5 n ASP 61 Ca 0.13 -0.61 -0.37 0.00 -1.51 0.00 0.00 54.79 52.43 2ka5 n ASP 61 Cb 0.35 0.82 -0.13 0.00 2.34 0.00 0.00 41.12 44.50 2ka5 n ASP 61 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2ka5 s VAL 62 N -3.06 3.72 0.04 5.18 1.01 -0.37 -4.78 120.40 122.13 2ka5 s VAL 62 Ca 0.07 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 2ka5 s VAL 62 Cb 0.16 -2.97 -0.26 0.00 0.00 0.00 0.00 36.38 33.31 2ka5 s VAL 62 CO 0.82 0.03 1.11 1.05 0.00 0.00 0.00 175.10 178.10 2ka5 h GLU 63 N 8.19 0.56 -3.62 2.72 4.11 -1.89 -3.45 114.58 121.20 2ka5 h GLU 63 Ca -0.29 -0.67 -0.05 0.00 0.07 0.00 0.00 59.36 58.41 2ka5 h GLU 63 Cb 1.11 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 30.47 2ka5 h GLU 63 CO 0.60 1.28 -0.12 -1.54 0.07 0.00 0.00 179.01 179.30 2ka5 s SER 64 N -7.16 -0.10 0.07 3.06 1.04 -1.26 -4.66 113.70 104.69 2ka5 s SER 64 Ca -0.11 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.50 2ka5 s SER 64 Cb 0.05 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 2ka5 s SER 64 CO 0.89 -1.10 -0.10 -0.51 0.98 0.00 0.00 173.24 173.40 2ka5 s ILE 65 N -3.99 0.82 0.55 -1.02 2.07 -1.26 -5.09 121.20 113.28 2ka5 s ILE 65 Ca 0.20 -1.34 -0.06 0.00 -1.41 0.00 0.00 60.65 58.04 2ka5 s ILE 65 Cb -0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 2ka5 s ILE 65 CO 0.06 -0.41 0.85 -1.81 -1.91 0.00 0.00 174.94 171.73 2ka5 s ASP 66 N -1.94 5.87 0.00 4.50 1.01 -1.26 -4.91 116.67 119.93 2ka5 s ASP 66 Ca -0.02 0.80 0.09 0.00 0.71 0.00 0.00 52.55 54.13 2ka5 s ASP 66 Cb -0.07 -1.92 0.52 0.00 1.01 0.00 0.00 42.92 42.46 2ka5 s ASP 66 CO 0.01 -0.87 0.94 -1.54 0.21 0.00 0.00 175.17 173.92 2ka5 n SER 67 N -2.45 0.00 0.00 0.27 3.41 -1.26 -2.28 113.62 111.31 2ka5 n SER 67 Ca 0.03 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 2ka5 n SER 67 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2ka5 n SER 67 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2ka5 n PHE 68 N -0.91 0.00 0.19 7.33 1.16 -1.26 -4.63 117.46 119.34 2ka5 n PHE 68 Ca 0.07 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.72 2ka5 n PHE 68 Cb 0.03 -0.07 0.27 0.00 -1.61 0.00 0.00 39.48 38.10 2ka5 n PHE 68 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 2ka5 h SER 69 N 0.00 0.00 -1.06 5.98 4.64 -1.82 -2.93 113.55 118.36 2ka5 h SER 69 Ca 0.00 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.66 2ka5 h SER 69 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 2ka5 h SER 69 CO 0.00 0.32 0.63 0.25 -0.87 0.00 0.00 176.83 177.16 2ka5 h LEU 70 N 0.00 0.46 -2.37 5.97 5.85 -1.72 -1.01 115.31 122.48 2ka5 h LEU 70 Ca -0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2ka5 h LEU 70 Cb 1.01 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2ka5 h LEU 70 CO 0.04 -0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.63 2ka5 n GLY 71 N -1.35 1.69 0.11 3.75 0.00 -1.11 -3.49 105.19 104.80 2ka5 n GLY 71 Ca 0.32 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 2.49 1.50 0.40 1.61 2.07 -1.30 -3.15 116.25 119.86 2ka5 h VAL 72 Ca 0.00 -2.02 -0.02 0.00 0.82 0.00 0.00 66.70 65.48 2ka5 h VAL 72 Cb 0.70 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2ka5 h VAL 72 CO 0.00 0.57 -0.21 0.40 0.02 0.00 0.00 177.57 178.35 2ka5 h ILE 73 N -0.34 0.56 -0.53 4.57 2.04 -1.42 -0.25 117.51 122.14 2ka5 h ILE 73 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 2ka5 h ILE 73 Cb 1.15 0.56 -0.10 0.00 -0.74 0.00 0.00 36.82 37.69 2ka5 h ILE 73 CO 0.08 0.00 -0.42 1.62 0.00 0.00 0.00 178.15 179.43 2ka5 h VAL 74 N -0.57 0.10 -0.82 1.67 3.04 -1.75 -1.76 116.25 116.16 2ka5 h VAL 74 Ca -0.05 0.00 0.18 0.00 -1.01 0.00 0.00 66.70 65.82 2ka5 h VAL 74 Cb 0.45 0.10 -0.11 0.00 -2.01 0.00 0.00 31.29 29.72 2ka5 h VAL 74 CO 0.07 0.00 0.31 -1.13 -1.01 0.00 0.00 177.57 175.82 2ka5 h ASN 75 N -0.25 0.24 -0.84 3.17 -0.73 -1.05 0.50 115.58 116.62 2ka5 h ASN 75 Ca 0.17 0.14 0.04 0.00 1.87 0.00 0.00 56.30 58.52 2ka5 h ASN 75 Cb 0.57 0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.23 2ka5 h ASN 75 CO -0.65 0.03 0.53 0.40 -0.37 0.00 0.00 177.43 177.37 2ka5 h ILE 76 N 0.39 1.10 0.27 2.57 2.04 -0.91 -0.94 117.51 122.04 2ka5 h ILE 76 Ca 0.48 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2ka5 h ILE 76 Cb 0.83 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2ka5 h ILE 76 CO -0.48 0.18 -0.22 0.25 0.00 0.00 0.00 178.15 177.88 2ka5 h LEU 77 N 1.01 -0.57 0.00 1.44 5.85 0.69 -0.55 115.31 123.18 2ka5 h LEU 77 Ca 0.35 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2ka5 h LEU 77 Cb 0.07 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2ka5 h LEU 77 CO -0.14 -0.33 0.00 0.29 -0.34 0.00 0.00 178.44 177.92 2ka5 n LYS 78 N -5.34 0.26 -0.09 1.25 5.02 0.91 -0.41 118.16 119.75 2ka5 n LYS 78 Ca -0.09 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.01 2ka5 n LYS 78 Cb 0.25 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 2ka5 n LYS 78 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2ka5 n SER 79 N -0.84 1.39 -0.19 4.39 2.88 -0.44 -4.16 113.62 116.66 2ka5 n SER 79 Ca 0.04 0.24 -0.06 0.00 -1.33 0.00 0.00 58.87 57.76 2ka5 n SER 79 Cb 0.02 -0.57 0.04 0.00 -0.75 0.00 0.00 64.21 62.94 2ka5 n SER 79 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2ka5 h ILE 80 N -0.69 1.11 0.00 2.46 2.04 -0.22 0.76 117.51 122.97 2ka5 h ILE 80 Ca -0.44 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2ka5 h ILE 80 Cb 1.35 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2ka5 h ILE 80 CO -0.26 0.13 0.00 0.28 0.00 0.00 0.00 178.15 178.30 2ka5 h SER 81 N 0.72 0.00 0.69 1.72 0.02 -0.95 0.36 113.55 116.11 2ka5 h SER 81 Ca 0.21 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.90 2ka5 h SER 81 Cb -0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2ka5 h SER 81 CO -0.06 0.00 -1.23 0.28 -1.14 0.00 0.00 176.83 174.68 2ka5 h SER 82 N 0.00 0.33 0.26 3.07 0.02 -1.45 -3.40 113.55 112.37 2ka5 h SER 82 Ca 0.00 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2ka5 h SER 82 Cb 0.37 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2ka5 h SER 82 CO 0.00 1.29 -0.12 0.28 -1.14 0.00 0.00 176.83 177.13 2ka5 h SER 83 N 0.06 -0.29 0.00 3.07 0.02 0.13 -3.49 113.55 113.05 2ka5 h SER 83 Ca -0.12 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2ka5 h SER 83 Cb 1.94 0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.55 2ka5 h SER 83 CO 0.18 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 2ka5 n GLY 84 N 0.69 0.00 0.00 -3.77 0.00 0.02 -5.09 105.19 97.04 2ka5 n GLY 84 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 4.76 3.08 -0.02 0.00 -0.81 -4.98 105.19 107.23 2ka5 n GLY 85 Ca 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.24 0.77 -0.05 1.61 0.40 -0.24 -4.46 117.98 114.78 2ka5 s PHE 86 Ca 0.00 -0.50 -0.08 0.00 -0.60 0.00 0.00 56.93 55.75 2ka5 s PHE 86 Cb 0.00 -0.45 0.01 0.00 0.51 0.00 0.00 43.02 43.09 2ka5 s PHE 86 CO 0.00 -0.06 0.20 0.12 0.70 0.00 0.00 175.22 176.18 2ka5 s PHE 87 N -1.40 -0.14 0.32 0.36 5.36 -1.26 -3.16 117.98 118.06 2ka5 s PHE 87 Ca -0.08 0.32 -0.06 0.00 -0.96 0.00 0.00 56.93 56.14 2ka5 s PHE 87 Cb -0.10 0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.63 2ka5 s PHE 87 CO 0.01 -0.20 0.50 0.00 -1.46 0.00 0.00 175.22 174.07 2ka5 s ALA 88 N -0.50 0.40 0.35 11.12 0.00 -1.14 -3.72 121.76 128.27 2ka5 s ALA 88 Ca -0.06 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.66 2ka5 s ALA 88 Cb -0.04 1.09 -0.07 0.00 0.00 0.00 0.00 23.12 24.10 2ka5 s ALA 88 CO 0.01 -0.82 -0.01 -0.51 0.00 0.00 0.00 175.76 174.43 2ka5 s LEU 89 N -3.17 2.60 -0.09 0.00 1.43 -0.22 -1.30 118.68 117.93 2ka5 s LEU 89 Ca 0.27 -1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 51.96 2ka5 s LEU 89 Cb -0.01 -0.73 0.02 0.00 0.03 0.00 0.00 46.19 45.50 2ka5 s LEU 89 CO 0.17 -0.44 0.26 -0.69 0.23 0.00 0.00 176.35 175.88 2ka5 s VAL 90 N -2.90 0.01 -1.25 -1.59 1.01 0.57 -0.62 120.40 115.62 2ka5 s VAL 90 Ca 0.34 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.98 2ka5 s VAL 90 Cb 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.08 2ka5 s VAL 90 CO 0.16 -0.05 0.61 -0.24 0.00 0.00 0.00 175.10 175.59 2ka5 n SER 91 N 2.71 -3.57 -3.10 3.32 2.88 -1.05 -1.00 113.62 113.81 2ka5 n SER 91 Ca -0.14 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 2ka5 n SER 91 Cb 0.58 -2.12 0.00 0.00 -0.75 0.00 0.00 64.21 61.92 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 -4.78 0.41 -3.61 -1.46 -0.04 -1.26 -2.79 135.00 121.47 2ka5 n PRO 92 Ca -0.14 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.16 2ka5 n PRO 92 Cb 0.59 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 2ka5 n PRO 92 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ka5 s ASN 93 N -1.42 -0.46 0.63 3.54 4.22 -1.26 -4.87 114.94 115.32 2ka5 s ASN 93 Ca 0.00 0.37 0.39 0.00 -2.14 0.00 0.00 52.86 51.48 2ka5 s ASN 93 Cb 0.00 0.46 2.12 0.00 1.28 0.00 0.00 41.25 45.11 2ka5 s ASN 93 CO 0.00 -0.60 2.29 -0.08 -2.04 0.00 0.00 177.10 176.67 2ka5 h GLU 94 N 3.18 0.00 0.09 3.55 4.81 -1.98 -0.19 114.58 124.04 2ka5 h GLU 94 Ca -0.29 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.66 2ka5 h GLU 94 Cb 1.17 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.57 2ka5 h GLU 94 CO 0.40 0.01 -1.17 -0.22 -0.73 0.00 0.00 179.01 177.30 2ka5 h LYS 95 N 0.00 0.53 -0.26 1.92 3.11 -1.96 0.06 116.57 119.96 2ka5 h LYS 95 Ca -0.00 -0.69 -0.01 0.00 -2.81 0.00 0.00 60.65 57.15 2ka5 h LYS 95 Cb 0.08 0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2ka5 h LYS 95 CO 0.00 1.29 0.13 0.28 -2.81 0.00 0.00 179.45 178.34 2ka5 h VAL 96 N 0.24 1.14 -0.24 2.00 2.07 -1.36 -2.43 116.25 117.67 2ka5 h VAL 96 Ca -0.15 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.03 2ka5 h VAL 96 Cb 1.84 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2ka5 h VAL 96 CO 0.22 0.14 0.17 -0.33 0.02 0.00 0.00 177.57 177.79 2ka5 h GLU 97 N 0.30 0.05 -0.02 1.57 5.08 -1.06 0.24 114.58 120.75 2ka5 h GLU 97 Ca 0.09 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2ka5 h GLU 97 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2ka5 h GLU 97 CO -0.01 0.04 -0.41 0.07 -1.00 0.00 0.00 179.01 177.70 2ka5 h ARG 98 N 0.06 0.05 0.00 2.33 -0.00 -0.49 -0.78 114.38 115.54 2ka5 h ARG 98 Ca 0.11 -0.02 -0.38 0.00 -0.00 0.00 0.00 59.98 59.69 2ka5 h ARG 98 Cb 0.38 -0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 30.29 2ka5 h ARG 98 CO -0.01 0.45 -2.38 1.55 -0.00 0.00 0.00 179.97 179.58 2ka5 n VAL 99 N -4.05 1.38 0.30 0.08 3.14 -0.13 -3.93 118.33 115.13 2ka5 n VAL 99 Ca -0.02 -0.48 0.19 0.00 -2.96 0.00 0.00 64.34 61.07 2ka5 n VAL 99 Cb 0.45 -1.48 0.84 0.00 -1.06 0.00 0.00 33.84 32.58 2ka5 n VAL 99 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2ka5 h LEU 100 N -0.24 0.00 0.11 6.55 4.07 -0.67 -0.47 115.31 124.65 2ka5 h LEU 100 Ca -0.57 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.24 2ka5 h LEU 100 Cb 1.76 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.52 2ka5 h LEU 100 CO -0.17 0.00 -0.66 -1.28 -1.08 0.00 0.00 178.44 175.25 2ka5 h SER 101 N 0.00 0.39 0.07 -0.43 0.87 -1.31 0.41 113.55 113.55 2ka5 h SER 101 Ca 0.00 -0.95 -0.00 0.00 -1.23 0.00 0.00 61.79 59.61 2ka5 h SER 101 Cb 0.34 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2ka5 h SER 101 CO 0.00 1.31 -0.03 -0.07 -0.53 0.00 0.00 176.83 177.51 2ka5 h LEU 102 N -0.46 -0.07 -0.22 2.23 -0.00 -1.52 -1.96 115.31 113.31 2ka5 h LEU 102 Ca -0.11 -0.34 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2ka5 h LEU 102 Cb 1.51 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.19 2ka5 h LEU 102 CO 0.12 0.31 0.00 1.07 -0.00 0.00 0.00 178.44 179.94 2ka5 n THR 103 N -4.95 0.06 -2.99 0.22 5.66 -0.24 -4.94 114.28 107.08 2ka5 n THR 103 Ca -0.08 -0.07 -0.04 0.00 -3.05 0.00 0.00 64.05 60.80 2ka5 n THR 103 Cb 0.21 -0.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 -7.21 0.07 1.09 3.02 -0.74 -5.03 115.26 105.98 2ka5 n ASN 104 Ca 0.10 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 2ka5 n ASN 104 Cb 0.09 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 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 0.79 0.12 0.25 3.41 -0.00 0.13 -4.72 117.00 116.98 2ka5 n LEU 105 Ca 0.00 0.23 0.10 0.00 -0.00 0.00 0.00 56.01 56.34 2ka5 n LEU 105 Cb 0.31 0.11 0.65 0.00 -0.00 0.00 0.00 43.42 44.49 2ka5 n LEU 105 CO 0.28 -0.61 0.96 -2.24 -0.00 0.00 0.00 177.39 175.78 2ka5 h ASP 106 N 0.00 0.00 1.13 1.96 2.03 -1.39 -0.99 116.42 119.16 2ka5 h ASP 106 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ka5 h ASP 106 Cb 0.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 2ka5 h ASP 106 CO 0.00 0.13 0.00 0.03 -1.03 0.00 0.00 179.24 178.37 2ka5 h ARG 107 N 0.00 0.00 0.00 4.15 3.08 -1.87 -3.22 114.38 116.52 2ka5 h ARG 107 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2ka5 h ARG 107 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2ka5 h ARG 107 CO 0.02 0.00 -1.40 -0.89 -1.07 0.00 0.00 179.97 176.63 2ka5 n ILE 108 N -2.80 1.50 -0.54 2.04 2.08 -0.73 -5.00 119.36 115.91 2ka5 n ILE 108 Ca 0.02 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2ka5 n ILE 108 Cb 0.33 -2.19 0.00 0.00 -0.75 0.00 0.00 39.64 37.03 2ka5 n ILE 108 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2ka5 n VAL 109 N -4.42 0.00 -4.48 1.39 0.31 -0.45 -5.10 118.33 105.57 2ka5 n VAL 109 Ca -0.26 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 63.84 2ka5 n VAL 109 Cb 0.60 -1.98 -0.11 0.00 -0.91 0.00 0.00 33.84 31.45 2ka5 n VAL 109 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ka5 s LYS 110 N -1.46 1.70 -0.04 5.55 -0.14 -1.24 -4.87 119.74 119.24 2ka5 s LYS 110 Ca 0.00 -1.93 -0.09 0.00 -1.36 0.00 0.00 55.97 52.59 2ka5 s LYS 110 Cb 0.00 -1.11 0.01 0.00 -1.68 0.00 0.00 37.83 35.05 2ka5 s LYS 110 CO 0.00 -0.10 0.21 0.42 -0.76 0.00 0.00 175.35 175.12 2ka5 s ILE 111 N -3.10 0.04 0.24 2.17 1.01 -1.26 -1.06 121.20 119.25 2ka5 s ILE 111 Ca 0.35 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 2ka5 s ILE 111 Cb 0.08 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 2ka5 s ILE 111 CO 0.15 -0.20 0.35 -0.31 0.00 0.00 0.00 174.94 174.94 2ka5 s TYR 112 N -0.74 0.75 -0.20 3.97 2.02 0.20 -4.86 117.35 118.50 2ka5 s TYR 112 Ca -0.08 -1.04 -0.17 0.00 -0.37 0.00 0.00 57.07 55.41 2ka5 s TYR 112 Cb -0.05 -0.12 -0.13 0.00 -0.40 0.00 0.00 41.96 41.26 2ka5 s TYR 112 CO 0.02 -0.88 -0.02 -0.25 -1.57 0.00 0.00 175.55 172.85 2ka5 n ASP 113 N -0.48 1.87 -4.31 2.29 9.92 -1.26 -2.56 116.55 122.01 2ka5 n ASP 113 Ca 0.00 0.46 -0.17 0.00 -0.53 0.00 0.00 54.79 54.55 2ka5 n ASP 113 Cb 0.63 -0.90 -0.10 0.00 -0.64 0.00 0.00 41.12 40.11 2ka5 n ASP 113 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2ka5 s THR 114 N -2.39 1.23 0.27 -3.53 -4.23 -1.26 -2.52 115.64 103.21 2ka5 s THR 114 Ca -0.27 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.16 2ka5 s THR 114 Cb 0.06 -2.15 0.12 0.00 1.34 0.00 0.00 72.50 71.88 2ka5 s THR 114 CO 0.47 -0.50 1.78 0.40 -0.54 0.00 0.00 174.62 176.23 2ka5 h ILE 115 N 2.57 1.24 -0.08 2.99 1.08 -1.98 -1.51 117.51 121.82 2ka5 h ILE 115 Ca -0.38 -0.97 -0.10 0.00 -0.39 0.00 0.00 64.86 63.02 2ka5 h ILE 115 Cb 1.21 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 2ka5 h ILE 115 CO 0.64 0.34 -0.43 -1.28 -0.69 0.00 0.00 178.15 176.73 2ka5 h SER 116 N 0.69 0.18 0.37 1.72 0.87 -1.99 0.25 113.55 115.64 2ka5 h SER 116 Ca 0.14 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2ka5 h SER 116 Cb 0.43 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2ka5 h SER 116 CO 0.02 0.59 0.00 -0.62 -0.53 0.00 0.00 176.83 176.29 2ka5 n GLU 117 N -4.02 0.03 -0.06 2.24 1.02 -0.59 -3.14 120.64 116.13 2ka5 n GLU 117 Ca -0.02 0.27 -0.08 0.00 -0.02 0.00 0.00 57.16 57.32 2ka5 n GLU 117 Cb 0.48 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 2ka5 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka5 n ALA 118 N -1.46 1.74 -0.08 0.62 0.00 -0.46 -4.43 120.51 116.43 2ka5 n ALA 118 Ca 0.03 -0.55 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 2ka5 n ALA 118 Cb 0.13 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 0.41 0.00 0.00 4.05 -0.50 0.13 114.93 119.03 2ka5 h MET 119 Ca -0.28 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 2ka5 h MET 119 Cb 1.46 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.20 2ka5 h MET 119 CO -0.03 0.49 -0.83 -0.85 0.23 0.00 0.00 176.91 175.91 2ka5 n GLU 120 N -4.73 0.29 -0.10 0.39 0.28 -1.26 -4.48 120.64 111.03 2ka5 n GLU 120 Ca -0.03 0.04 -0.24 0.00 -0.16 0.00 0.00 57.16 56.77 2ka5 n GLU 120 Cb 0.16 -1.63 -0.11 0.00 1.43 0.00 0.00 31.44 31.28 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 -2.03 0.62 -0.26 3.44 4.07 -0.81 -3.89 120.64 121.79 2ka5 n GLU 121 Ca 0.03 0.35 0.29 0.00 -0.06 0.00 0.00 57.16 57.76 2ka5 n GLU 121 Cb 0.44 -1.61 0.67 0.00 -0.06 0.00 0.00 31.44 30.87 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 -0.67 0.51 -0.90 6.31 3.04 -1.01 0.29 116.25 123.82 2ka5 h VAL 122 Ca -0.53 -0.04 0.18 0.00 -1.01 0.00 0.00 66.70 65.30 2ka5 h VAL 122 Cb 1.63 0.38 -0.07 0.00 -2.01 0.00 0.00 31.29 31.22 2ka5 h VAL 122 CO -0.22 0.02 0.59 0.03 -1.01 0.00 0.00 177.57 176.97 2ka5 h ARG 123 N 0.12 0.52 -0.13 4.17 3.08 -1.77 -3.31 114.38 117.07 2ka5 h ARG 123 Ca 0.51 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 60.34 2ka5 h ARG 123 Cb 1.79 -0.12 -0.28 0.00 0.08 0.00 0.00 29.97 31.44 2ka5 h ARG 123 CO -0.08 0.35 -0.73 2.89 -1.07 0.00 0.00 179.97 181.33 2ka5 n ARG 124 N -4.56 0.84 0.00 0.04 0.00 0.72 -5.09 116.66 108.61 2ka5 n ARG 124 Ca 0.19 -2.05 0.00 0.00 -0.00 0.00 0.00 57.85 55.99 2ka5 n ARG 124 Cb 0.61 -0.27 0.00 0.00 -0.00 0.00 0.00 32.46 32.79 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99