#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 0.29 4.88 -5.12 0.00 -1.26 -5.01 105.19 98.97 2ka5 n GLY 2 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.59 0.00 -1.32 1.61 7.64 -1.26 -4.75 113.62 114.95 2ka5 n SER 3 Ca -0.15 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.69 2ka5 n SER 3 Cb 0.74 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.02 -1.55 -3.75 6.43 2.03 -1.26 -5.00 116.55 113.47 2ka5 n ASP 4 Ca 0.00 0.05 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 2ka5 n ASP 4 Cb 0.00 -0.40 -0.05 0.00 -0.72 0.00 0.00 41.12 39.95 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 -0.37 1.10 -0.17 -0.67 2.20 -1.26 -5.12 119.74 115.45 2ka5 s LYS 5 Ca 0.03 -0.86 -0.26 0.00 -0.36 0.00 0.00 55.97 54.52 2ka5 s LYS 5 Cb -0.00 0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2ka5 s LYS 5 CO 0.07 -0.42 0.86 -1.50 -0.36 0.00 0.00 175.35 173.99 2ka5 s ILE 6 N -3.86 4.86 -0.28 5.43 2.07 -1.26 -5.03 121.20 123.14 2ka5 s ILE 6 Ca 0.07 1.68 -0.29 0.00 -1.41 0.00 0.00 60.65 60.70 2ka5 s ILE 6 Cb 0.02 -4.16 -0.01 0.00 0.13 0.00 0.00 42.46 38.45 2ka5 s ILE 6 CO -0.08 0.00 1.36 -1.38 -1.91 0.00 0.00 174.94 172.94 2ka5 s HIS 7 N 2.26 2.58 -0.32 3.50 -3.43 -1.26 -4.93 115.29 113.68 2ka5 s HIS 7 Ca 0.39 0.81 0.06 0.00 -0.80 0.00 0.00 55.06 55.51 2ka5 s HIS 7 Cb -0.16 -3.90 0.19 0.00 -1.43 0.00 0.00 32.58 27.27 2ka5 s HIS 7 CO 0.12 -1.96 0.55 -1.58 -2.00 0.00 0.00 174.74 169.87 2ka5 s HIS 8 N 4.49 -1.59 -0.46 0.38 5.04 -1.26 -5.09 115.29 116.79 2ka5 s HIS 8 Ca 0.59 0.66 0.06 0.00 -1.54 0.00 0.00 55.06 54.83 2ka5 s HIS 8 Cb -0.19 0.19 0.21 0.00 0.04 0.00 0.00 32.58 32.84 2ka5 s HIS 8 CO 0.24 -1.08 0.66 1.58 -2.34 0.00 0.00 174.74 173.79 2ka5 n HIS 9 N 5.12 -2.41 -1.16 3.88 -0.00 -1.26 -5.01 115.22 114.37 2ka5 n HIS 9 Ca 0.06 -2.32 -0.24 0.00 0.46 0.00 0.00 57.72 55.68 2ka5 n HIS 9 Cb 0.53 0.89 0.03 0.00 -0.12 0.00 0.00 29.99 31.33 2ka5 n HIS 9 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2ka5 n HIS 10 N 2.21 2.04 -4.49 1.57 -0.00 -1.26 -4.75 115.22 110.53 2ka5 n HIS 10 Ca 0.18 -2.24 -0.24 0.00 0.46 0.00 0.00 57.72 55.88 2ka5 n HIS 10 Cb 0.56 -1.17 -0.10 0.00 -0.12 0.00 0.00 29.99 29.16 2ka5 n HIS 10 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ka5 s HIS 11 N -2.41 2.18 -0.41 1.57 3.76 -1.26 -5.10 115.29 113.62 2ka5 s HIS 11 Ca 0.45 -0.63 0.10 0.00 -0.15 0.00 0.00 55.06 54.83 2ka5 s HIS 11 Cb 0.34 -1.29 0.36 0.00 1.11 0.00 0.00 32.58 33.11 2ka5 s HIS 11 CO -0.07 0.40 1.06 1.58 -0.85 0.00 0.00 174.74 176.86 2ka5 n HIS 12 N -0.71 -1.56 -3.14 1.40 -0.00 -1.26 -5.04 115.22 104.91 2ka5 n HIS 12 Ca -0.05 -2.57 -0.21 0.00 0.46 0.00 0.00 57.72 55.35 2ka5 n HIS 12 Cb 0.64 0.89 -0.04 0.00 -0.12 0.00 0.00 29.99 31.36 2ka5 n HIS 12 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ka5 n MET 13 N 0.08 1.59 -1.73 1.57 0.00 -1.26 -5.10 117.12 112.26 2ka5 n MET 13 Ca 0.09 -3.80 -0.33 0.00 0.00 0.00 0.00 57.70 53.65 2ka5 n MET 13 Cb 0.74 -1.81 0.05 0.00 0.00 0.00 0.00 33.22 32.20 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 -2.55 2.54 -1.00 3.17 0.40 -1.26 -4.94 117.98 114.34 2ka5 s PHE 14 Ca 0.42 1.56 -0.23 0.00 -0.60 0.00 0.00 56.93 58.07 2ka5 s PHE 14 Cb 0.30 -3.21 0.01 0.00 0.51 0.00 0.00 43.02 40.63 2ka5 s PHE 14 CO -0.10 -1.81 1.65 -1.25 0.70 0.00 0.00 175.22 174.41 2ka5 s PRO 15 N -4.04 3.24 0.08 0.24 0.04 -1.26 -4.90 135.00 128.40 2ka5 s PRO 15 Ca 0.68 -0.90 -0.22 0.00 0.04 0.00 0.00 61.00 60.61 2ka5 s PRO 15 Cb -0.22 -5.27 0.06 0.00 0.04 0.00 0.00 34.50 29.11 2ka5 s PRO 15 CO 0.41 -2.66 0.53 1.52 0.04 0.00 0.00 177.00 176.85 2ka5 s TYR 16 N 6.82 -0.43 0.38 0.56 -0.85 -1.26 -2.29 117.35 120.28 2ka5 s TYR 16 Ca 0.55 0.38 0.06 0.00 -0.52 0.00 0.00 57.07 57.53 2ka5 s TYR 16 Cb -0.02 0.39 -0.07 0.00 0.38 0.00 0.00 41.96 42.64 2ka5 s TYR 16 CO -0.05 -0.71 0.03 -1.59 -1.52 0.00 0.00 175.55 171.71 2ka5 s LYS 17 N -2.95 1.86 0.07 -3.49 0.00 -0.09 -4.98 119.74 110.15 2ka5 s LYS 17 Ca -0.03 -2.05 0.05 0.00 0.00 0.00 0.00 55.97 53.94 2ka5 s LYS 17 Cb -0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 37.83 36.44 2ka5 s LYS 17 CO -0.06 -0.11 -0.13 0.42 0.00 0.00 0.00 175.35 175.47 2ka5 s ILE 18 N -2.92 1.03 0.00 3.79 1.01 -1.26 -0.20 121.20 122.65 2ka5 s ILE 18 Ca 0.35 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2ka5 s ILE 18 Cb 0.09 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.51 2ka5 s ILE 18 CO 0.17 -0.28 0.00 1.33 0.00 0.00 0.00 174.94 176.16 2ka5 n VAL 19 N 1.22 0.00 0.00 2.92 0.24 -0.37 -4.98 118.33 117.36 2ka5 n VAL 19 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 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 -1.21 -1.34 9.92 -1.26 -4.38 116.55 118.27 2ka5 n ASP 20 Ca 0.00 0.73 0.02 0.00 -0.53 0.00 0.00 54.79 55.01 2ka5 n ASP 20 Cb 0.00 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 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 -1.69 0.52 -4.26 -2.24 8.00 -1.26 -5.10 116.55 110.52 2ka5 n ASP 21 Ca 0.00 -1.96 -0.29 0.00 0.71 0.00 0.00 54.79 53.24 2ka5 n ASP 21 Cb 0.00 -0.19 -0.16 0.00 -0.02 0.00 0.00 41.12 40.75 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka5 s VAL 22 N 0.00 1.87 -0.10 2.53 1.01 -1.26 -4.23 120.40 120.22 2ka5 s VAL 22 Ca 0.22 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2ka5 s VAL 22 Cb 0.25 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2ka5 s VAL 22 CO -0.11 0.53 0.17 -0.69 0.00 0.00 0.00 175.10 175.00 2ka5 s VAL 23 N -0.46 5.45 -0.42 2.92 1.01 -0.35 -1.24 120.40 127.31 2ka5 s VAL 23 Ca 0.06 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.33 2ka5 s VAL 23 Cb -0.10 -3.45 0.11 0.00 0.00 0.00 0.00 36.38 32.95 2ka5 s VAL 23 CO 0.00 0.59 0.15 -0.63 0.00 0.00 0.00 175.10 175.21 2ka5 s ILE 24 N -1.06 2.49 -0.12 2.22 1.09 0.72 -0.40 121.20 126.14 2ka5 s ILE 24 Ca 0.17 -2.72 -0.25 0.00 -1.10 0.00 0.00 60.65 56.75 2ka5 s ILE 24 Cb -0.13 -2.78 -0.02 0.00 -1.06 0.00 0.00 42.46 38.47 2ka5 s ILE 24 CO 0.06 -0.69 0.80 -0.76 -0.10 0.00 0.00 174.94 174.25 2ka5 s LEU 25 N 0.44 4.24 -0.44 2.97 1.43 -0.58 -0.92 118.68 125.81 2ka5 s LEU 25 Ca 0.13 1.22 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 2ka5 s LEU 25 Cb -0.22 -3.21 0.13 0.00 0.03 0.00 0.00 46.19 42.92 2ka5 s LEU 25 CO -0.05 -0.29 0.21 -0.04 0.23 0.00 0.00 176.35 176.41 2ka5 s MET 26 N 1.60 1.47 -0.44 1.70 -1.94 -0.97 -3.28 119.30 117.44 2ka5 s MET 26 Ca 0.39 -2.10 -0.28 0.00 -1.71 0.00 0.00 55.69 51.99 2ka5 s MET 26 Cb -0.17 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 33.94 2ka5 s MET 26 CO 0.16 -1.10 1.76 -1.25 -0.01 0.00 0.00 175.02 174.57 2ka5 s PRO 27 N 0.33 3.14 -0.67 2.03 0.04 -1.26 -4.73 135.00 133.88 2ka5 s PRO 27 Ca 0.16 1.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 2ka5 s PRO 27 Cb -0.24 -4.23 -0.13 0.00 0.04 0.00 0.00 34.50 29.94 2ka5 s PRO 27 CO -0.03 -2.11 2.62 0.27 0.04 0.00 0.00 177.00 177.79 2ka5 n ASN 28 N 10.87 5.33 -4.34 6.66 6.94 -1.26 -4.14 115.26 135.33 2ka5 n ASN 28 Ca 0.21 -2.33 -0.38 0.00 -0.02 0.00 0.00 54.58 52.06 2ka5 n ASN 28 Cb 0.49 -1.18 -0.05 0.00 -2.36 0.00 0.00 39.78 36.68 2ka5 n ASN 28 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2ka5 n LYS 29 N 3.36 -2.16 -2.02 -3.83 0.00 -1.26 -4.88 118.16 107.38 2ka5 n LYS 29 Ca 0.47 0.27 -0.36 0.00 -0.00 0.00 0.00 58.31 58.69 2ka5 n LYS 29 Cb 0.40 -4.85 0.03 0.00 -0.00 0.00 0.00 35.03 30.61 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2ka5 n GLU 30 N -4.28 2.95 -2.21 -1.58 0.28 -1.26 -4.88 120.64 109.66 2ka5 n GLU 30 Ca 0.05 -3.77 -0.42 0.00 -0.16 0.00 0.00 57.16 52.86 2ka5 n GLU 30 Cb 0.50 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.10 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 -0.56 6.93 0.00 -1.84 4.32 -1.26 -4.78 117.00 119.81 2ka5 n LEU 31 Ca 0.51 -4.64 0.04 0.00 -0.02 0.00 0.00 56.01 51.90 2ka5 n LEU 31 Cb 0.40 -1.48 0.26 0.00 -1.62 0.00 0.00 43.42 40.98 2ka5 n LEU 31 CO 0.48 1.48 0.47 0.59 -1.22 0.00 0.00 177.39 179.19 2ka5 n ASN 32 N 3.70 0.00 0.00 -1.43 3.02 -1.26 -4.89 115.26 114.40 2ka5 n ASN 32 Ca 0.45 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2ka5 n ASN 32 Cb 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.84 0.00 0.12 2.41 5.41 -1.26 -4.34 119.36 120.86 2ka5 n ILE 33 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.84 2ka5 n ILE 33 Cb 0.03 0.00 0.41 0.00 -0.71 0.00 0.00 39.64 39.37 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 0.23 0.95 0.38 5.08 -1.97 -0.18 114.58 119.08 2ka5 h GLU 34 Ca 0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2ka5 h GLU 34 Cb 0.00 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2ka5 h GLU 34 CO 0.00 0.35 -0.49 -0.97 -1.00 0.00 0.00 179.01 176.90 2ka5 h ASN 35 N 0.23 -1.18 -0.99 1.42 -1.24 -1.90 -2.91 115.58 109.01 2ka5 h ASN 35 Ca 0.05 0.05 0.20 0.00 0.71 0.00 0.00 56.30 57.30 2ka5 h ASN 35 Cb 0.33 0.32 -0.10 0.00 0.73 0.00 0.00 38.32 39.59 2ka5 h ASN 35 CO 0.02 -0.80 0.62 0.00 -1.29 0.00 0.00 177.43 175.97 2ka5 h ALA 36 N -1.32 1.80 -0.21 1.57 0.00 -1.44 0.40 119.26 120.06 2ka5 h ALA 36 Ca -0.13 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2ka5 h ALA 36 Cb 1.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2ka5 h ALA 36 CO 0.19 -0.16 -0.31 1.25 0.00 0.00 0.00 179.25 180.22 2ka5 h HIS 37 N 0.68 0.47 0.00 0.00 -0.00 -1.14 -2.89 115.15 112.27 2ka5 h HIS 37 Ca 0.56 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.83 2ka5 h HIS 37 Cb 0.99 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 2ka5 h HIS 37 CO -0.00 0.68 -0.59 1.37 -0.00 0.00 0.00 177.93 179.39 2ka5 h LEU 38 N 0.36 0.00 -0.67 0.26 8.10 -0.78 -3.40 115.31 119.18 2ka5 h LEU 38 Ca 0.05 -0.03 0.13 0.00 0.11 0.00 0.00 57.88 58.14 2ka5 h LEU 38 Cb 0.72 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 40.81 2ka5 h LEU 38 CO 0.06 0.02 -0.16 0.15 -4.11 0.00 0.00 178.44 174.39 2ka5 h PHE 39 N 0.00 -0.35 0.13 0.17 3.57 -0.09 0.34 116.94 120.71 2ka5 h PHE 39 Ca 0.00 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2ka5 h PHE 39 Cb 0.95 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 2ka5 h PHE 39 CO 0.00 -0.29 -0.40 -0.22 -2.23 0.00 0.00 178.31 175.17 2ka5 h LYS 40 N 0.00 -0.62 -0.26 1.11 3.11 -1.77 0.78 116.57 118.92 2ka5 h LYS 40 Ca 0.32 0.04 0.04 0.00 -2.81 0.00 0.00 60.65 58.24 2ka5 h LYS 40 Cb 0.49 0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 31.83 2ka5 h LYS 40 CO -0.69 -0.41 0.03 -0.22 -2.81 0.00 0.00 179.45 175.35 2ka5 h LYS 41 N -0.64 0.11 0.00 1.90 3.64 -0.71 0.18 116.57 121.05 2ka5 h LYS 41 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2ka5 h LYS 41 Cb 0.67 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2ka5 h LYS 41 CO -0.23 0.07 0.00 1.87 -2.27 0.00 0.00 179.45 178.89 2ka5 n TRP 42 N -5.12 0.00 -0.31 1.91 -0.00 0.34 -1.24 117.44 113.02 2ka5 n TRP 42 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.50 57.64 2ka5 n TRP 42 Cb 0.12 -0.41 0.34 0.00 -0.00 0.00 0.00 31.31 31.36 2ka5 n TRP 42 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2ka5 h VAL 43 N 0.00 0.38 1.01 5.87 2.07 -0.85 0.08 116.25 124.80 2ka5 h VAL 43 Ca 0.00 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 2ka5 h VAL 43 Cb 0.00 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2ka5 h VAL 43 CO 0.00 0.06 -0.48 -0.26 0.02 0.00 0.00 177.57 176.91 2ka5 h PHE 44 N 0.32 -1.25 0.00 1.57 -1.00 -0.83 0.25 116.94 116.00 2ka5 h PHE 44 Ca 0.60 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.35 2ka5 h PHE 44 Cb 1.21 0.41 0.00 0.00 3.61 0.00 0.00 35.95 41.19 2ka5 h PHE 44 CO -0.15 -0.78 0.00 -0.25 -1.61 0.00 0.00 178.31 175.52 2ka5 n ASP 45 N -5.67 0.00 -0.07 2.17 8.00 -0.38 -0.42 116.55 120.19 2ka5 n ASP 45 Ca -0.17 -0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.20 2ka5 n ASP 45 Cb 0.53 -0.20 -0.09 0.00 -0.02 0.00 0.00 41.12 41.34 2ka5 n ASP 45 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2ka5 n GLU 46 N -1.20 1.43 0.00 -1.24 4.07 -0.06 -4.69 120.64 118.95 2ka5 n GLU 46 Ca 0.07 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2ka5 n GLU 46 Cb 0.09 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 2ka5 n GLU 46 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2ka5 n PHE 47 N -2.64 0.00 0.18 4.31 3.72 0.84 -4.67 117.46 119.21 2ka5 n PHE 47 Ca -0.24 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.05 2ka5 n PHE 47 Cb 0.89 0.36 -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 -0.43 -1.96 4.37 -0.00 -1.43 0.15 115.31 116.02 2ka5 h LEU 48 Ca 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.73 2ka5 h LEU 48 Cb 0.27 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2ka5 h LEU 48 CO 0.00 0.00 -0.10 0.78 -0.00 0.00 0.00 178.44 179.12 2ka5 h ASN 49 N -0.98 0.00 0.66 -0.43 2.35 -1.04 0.12 115.58 116.27 2ka5 h ASN 49 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2ka5 h ASN 49 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2ka5 h ASN 49 CO 0.08 0.10 -0.00 0.11 -1.65 0.00 0.00 177.43 176.07 2ka5 h LYS 50 N 0.00 0.00 0.00 0.81 1.57 -1.60 -3.47 116.57 113.88 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 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2ka5 h LYS 50 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 2ka5 n GLY 51 N -0.36 0.88 3.80 3.86 0.00 0.03 -5.01 105.19 108.40 2ka5 n GLY 51 Ca -0.01 0.00 -0.34 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 3.11 0.00 1.61 1.51 0.39 -4.99 117.35 116.98 2ka5 s TYR 52 Ca 0.00 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.65 2ka5 s TYR 52 Cb 0.00 -3.00 0.00 0.00 -0.11 0.00 0.00 41.96 38.85 2ka5 s TYR 52 CO 0.00 -0.59 0.56 0.09 -1.11 0.00 0.00 175.55 174.50 2ka5 n ASN 53 N -0.82 0.81 -3.78 2.29 5.03 -1.26 -4.27 115.26 113.25 2ka5 n ASN 53 Ca 0.08 -1.31 -0.27 0.00 0.87 0.00 0.00 54.58 53.96 2ka5 n ASN 53 Cb 0.53 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.12 2ka5 n ASN 53 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2ka5 s LYS 54 N -0.31 0.86 0.14 3.52 1.02 -1.26 -1.37 119.74 122.35 2ka5 s LYS 54 Ca 0.00 -0.37 0.10 0.00 0.02 0.00 0.00 55.97 55.73 2ka5 s LYS 54 Cb 0.00 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 2ka5 s LYS 54 CO 0.00 -0.53 -0.22 0.42 -0.92 0.00 0.00 175.35 174.11 2ka5 s ILE 55 N 1.81 2.58 0.14 2.17 1.09 -1.20 -1.22 121.20 126.57 2ka5 s ILE 55 Ca 0.00 -1.71 0.04 0.00 -1.10 0.00 0.00 60.65 57.88 2ka5 s ILE 55 Cb -0.16 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.01 2ka5 s ILE 55 CO -0.07 0.04 -0.09 -0.36 -0.10 0.00 0.00 174.94 174.36 2ka5 s PHE 56 N -1.27 1.16 -0.39 3.97 0.08 0.46 -2.97 117.98 119.03 2ka5 s PHE 56 Ca 0.18 -0.82 0.02 0.00 0.12 0.00 0.00 56.93 56.43 2ka5 s PHE 56 Cb -0.10 -0.61 0.15 0.00 -0.57 0.00 0.00 43.02 41.89 2ka5 s PHE 56 CO 0.09 0.00 0.26 -1.17 -0.10 0.00 0.00 175.22 174.30 2ka5 s LEU 57 N -3.14 1.48 0.35 -0.37 2.96 -0.79 -1.53 118.68 117.64 2ka5 s LEU 57 Ca 0.16 -2.55 -0.29 0.00 -0.22 0.00 0.00 54.13 51.23 2ka5 s LEU 57 Cb 0.04 -0.54 -0.11 0.00 0.50 0.00 0.00 46.19 46.07 2ka5 s LEU 57 CO -0.01 -0.26 1.51 -0.69 -1.32 0.00 0.00 176.35 175.59 2ka5 s VAL 58 N 0.60 2.08 -0.30 1.68 1.01 -1.21 -1.24 120.40 123.02 2ka5 s VAL 58 Ca 0.22 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.35 2ka5 s VAL 58 Cb -0.15 -3.05 0.46 0.00 0.00 0.00 0.00 36.38 33.64 2ka5 s VAL 58 CO -0.06 0.02 1.29 0.18 0.00 0.00 0.00 175.10 176.53 2ka5 n LEU 59 N 0.97 4.63 0.06 3.92 4.32 0.11 -4.47 117.00 126.54 2ka5 n LEU 59 Ca 0.03 -4.46 -0.19 0.00 -0.02 0.00 0.00 56.01 51.37 2ka5 n LEU 59 Cb 0.39 -0.46 -0.10 0.00 -1.62 0.00 0.00 43.42 41.64 2ka5 n LEU 59 CO 0.63 1.84 0.07 -1.28 -1.22 0.00 0.00 177.39 177.44 2ka5 h SER 60 N 1.82 0.81 -0.19 -1.43 0.87 -1.77 -3.33 113.55 110.33 2ka5 h SER 60 Ca 0.30 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2ka5 h SER 60 Cb 1.39 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2ka5 h SER 60 CO 0.64 1.48 0.00 0.47 -0.53 0.00 0.00 176.83 178.89 2ka5 n ASP 61 N -3.81 2.77 -4.10 6.23 9.92 -1.26 -4.90 116.55 121.41 2ka5 n ASP 61 Ca -0.11 -1.89 -0.21 0.00 -0.53 0.00 0.00 54.79 52.06 2ka5 n ASP 61 Cb 0.90 -0.11 -0.09 0.00 -0.64 0.00 0.00 41.12 41.18 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 -1.78 0.52 -0.02 2.53 0.11 -1.25 -4.07 120.40 116.44 2ka5 s VAL 62 Ca 0.34 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.40 2ka5 s VAL 62 Cb 0.21 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 2ka5 s VAL 62 CO 0.30 0.00 0.00 -1.84 -3.33 0.00 0.00 175.10 170.24 2ka5 n GLU 63 N -0.67 3.23 -3.46 1.54 0.28 -1.26 -4.88 120.64 115.41 2ka5 n GLU 63 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.87 2ka5 n GLU 63 Cb 0.65 -1.04 -0.03 0.00 1.43 0.00 0.00 31.44 32.45 2ka5 n GLU 63 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2ka5 s SER 64 N -3.34 -0.53 0.80 -1.84 0.15 -1.26 -4.06 113.70 103.62 2ka5 s SER 64 Ca -0.01 0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.55 2ka5 s SER 64 Cb 0.01 0.57 0.07 0.00 -1.71 0.00 0.00 66.02 64.96 2ka5 s SER 64 CO 0.06 -0.91 1.11 -0.51 1.20 0.00 0.00 173.24 174.20 2ka5 s ILE 65 N -3.47 2.85 0.24 6.45 2.07 -1.26 -5.05 121.20 123.03 2ka5 s ILE 65 Ca -0.00 0.27 0.06 0.00 -1.41 0.00 0.00 60.65 59.57 2ka5 s ILE 65 Cb -0.01 -3.11 -0.03 0.00 0.13 0.00 0.00 42.46 39.44 2ka5 s ILE 65 CO -0.10 -0.36 0.25 -0.62 -1.91 0.00 0.00 174.94 172.19 2ka5 s ASP 66 N -4.12 5.80 0.00 4.50 2.15 -1.26 -4.93 116.67 118.80 2ka5 s ASP 66 Ca 0.61 -0.13 0.05 0.00 0.43 0.00 0.00 52.55 53.51 2ka5 s ASP 66 Cb -0.13 -1.57 0.31 0.00 -0.30 0.00 0.00 42.92 41.23 2ka5 s ASP 66 CO 0.53 -0.04 0.73 -0.24 -0.17 0.00 0.00 175.17 175.98 2ka5 n SER 67 N -1.17 0.00 0.00 -0.34 2.88 -1.26 -1.00 113.62 112.73 2ka5 n SER 67 Ca -0.08 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 2ka5 n SER 67 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2ka5 n SER 67 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2ka5 n PHE 68 N -0.69 0.00 0.42 0.66 -0.00 -1.26 -4.62 117.46 111.96 2ka5 n PHE 68 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.60 2ka5 n PHE 68 Cb 0.02 -0.09 0.46 0.00 -0.00 0.00 0.00 39.48 39.86 2ka5 n PHE 68 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2ka5 n SER 69 N -0.77 0.54 -0.37 -2.13 2.88 -0.85 -2.17 113.62 110.75 2ka5 n SER 69 Ca 0.00 0.63 0.35 0.00 -1.33 0.00 0.00 58.87 58.53 2ka5 n SER 69 Cb 0.00 -0.75 0.72 0.00 -0.75 0.00 0.00 64.21 63.43 2ka5 n SER 69 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2ka5 h LEU 70 N 0.00 0.08 0.00 2.46 5.85 -1.33 0.22 115.31 122.59 2ka5 h LEU 70 Ca 0.00 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.54 2ka5 h LEU 70 Cb 0.34 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2ka5 h LEU 70 CO 0.00 0.00 -1.19 1.23 -0.34 0.00 0.00 178.44 178.14 2ka5 h GLY 71 N 0.06 0.00 1.54 3.75 0.00 -1.72 -3.35 103.07 103.35 2ka5 h GLY 71 Ca 0.62 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.74 2ka5 h GLY 71 CO -0.07 0.00 -0.89 -2.08 0.00 0.00 0.00 176.54 173.50 2ka5 h VAL 72 N 0.00 1.39 -0.24 4.60 2.07 -0.81 -2.99 116.25 120.27 2ka5 h VAL 72 Ca -0.12 -2.36 0.05 0.00 0.82 0.00 0.00 66.70 65.09 2ka5 h VAL 72 Cb 1.73 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 33.78 2ka5 h VAL 72 CO 0.09 0.71 -0.04 0.40 0.02 0.00 0.00 177.57 178.74 2ka5 h ILE 73 N 0.25 0.78 -0.86 4.57 1.08 -1.27 -1.87 117.51 120.21 2ka5 h ILE 73 Ca -0.07 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2ka5 h ILE 73 Cb 1.51 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.98 2ka5 h ILE 73 CO 0.15 0.00 0.55 0.58 -0.69 0.00 0.00 178.15 178.75 2ka5 h VAL 74 N 0.02 1.23 -0.69 1.67 2.07 -1.69 -2.60 116.25 116.26 2ka5 h VAL 74 Ca 0.11 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 67.30 2ka5 h VAL 74 Cb 0.17 -0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 29.84 2ka5 h VAL 74 CO -0.23 0.23 0.29 -1.13 0.02 0.00 0.00 177.57 176.75 2ka5 h ASN 75 N 1.17 0.32 -0.47 0.57 -0.73 -1.20 0.34 115.58 115.57 2ka5 h ASN 75 Ca 0.31 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.53 2ka5 h ASN 75 Cb -0.10 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 2ka5 h ASN 75 CO -0.06 0.17 0.19 0.40 -0.37 0.00 0.00 177.43 177.75 2ka5 h ILE 76 N 0.48 1.20 -0.50 2.57 2.04 -1.06 -2.42 117.51 119.82 2ka5 h ILE 76 Ca 0.36 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2ka5 h ILE 76 Cb 0.46 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2ka5 h ILE 76 CO -0.33 0.25 0.12 0.25 0.00 0.00 0.00 178.15 178.44 2ka5 h LEU 77 N 0.75 0.77 -0.47 1.44 7.12 -0.70 -2.27 115.31 121.95 2ka5 h LEU 77 Ca 0.18 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.95 2ka5 h LEU 77 Cb 0.18 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 2ka5 h LEU 77 CO -0.01 0.81 0.30 0.11 -0.13 0.00 0.00 178.44 179.52 2ka5 h LYS 78 N 0.70 0.62 -0.09 1.25 1.57 -0.80 0.13 116.57 119.95 2ka5 h LYS 78 Ca 0.16 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2ka5 h LYS 78 Cb 0.34 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2ka5 h LYS 78 CO 0.00 0.43 -0.16 0.77 -0.57 0.00 0.00 179.45 179.92 2ka5 h SER 79 N 0.63 -0.49 -0.57 0.86 0.02 -1.35 -1.96 113.55 110.69 2ka5 h SER 79 Ca 0.17 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 2ka5 h SER 79 Cb -0.05 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2ka5 h SER 79 CO -0.04 -0.21 0.10 0.40 -1.14 0.00 0.00 176.83 175.94 2ka5 h ILE 80 N -0.22 1.26 -0.17 3.27 2.04 -0.87 0.15 117.51 122.98 2ka5 h ILE 80 Ca 0.08 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2ka5 h ILE 80 Cb 0.33 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2ka5 h ILE 80 CO -0.22 0.35 -0.54 -1.28 0.00 0.00 0.00 178.15 176.47 2ka5 h SER 81 N 0.85 -1.71 -0.05 1.72 0.87 -0.64 0.13 113.55 114.72 2ka5 h SER 81 Ca 0.18 0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.89 2ka5 h SER 81 Cb 0.41 0.67 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 2ka5 h SER 81 CO 0.01 -0.47 -0.12 0.28 -0.53 0.00 0.00 176.83 176.00 2ka5 h SER 82 N -0.56 0.33 0.73 6.23 0.02 -0.96 -2.13 113.55 117.22 2ka5 h SER 82 Ca 0.04 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2ka5 h SER 82 Cb 0.67 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 2ka5 h SER 82 CO -0.45 0.49 -0.02 0.28 -1.14 0.00 0.00 176.83 175.99 2ka5 h SER 83 N 0.33 0.00 0.00 3.07 0.02 -0.54 -3.47 113.55 112.96 2ka5 h SER 83 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2ka5 h SER 83 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2ka5 h SER 83 CO 0.02 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2ka5 n GLY 84 N -0.28 0.86 1.21 -3.77 0.00 -0.73 -5.07 105.19 97.40 2ka5 n GLY 84 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.29 0.03 3.17 -0.02 0.00 0.38 -5.01 105.19 101.47 2ka5 n GLY 85 Ca 0.00 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.19 1.23 0.00 1.61 0.40 -0.47 -4.39 117.98 115.18 2ka5 s PHE 86 Ca 0.22 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.07 2ka5 s PHE 86 Cb -0.01 -0.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 2ka5 s PHE 86 CO 0.15 0.06 0.02 0.12 0.70 0.00 0.00 175.22 176.27 2ka5 s PHE 87 N -1.27 0.09 0.14 0.36 5.36 -1.26 -3.21 117.98 118.20 2ka5 s PHE 87 Ca -0.02 -0.19 -0.11 0.00 -0.96 0.00 0.00 56.93 55.65 2ka5 s PHE 87 Cb -0.10 -0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.51 2ka5 s PHE 87 CO 0.02 -0.12 0.32 0.00 -1.46 0.00 0.00 175.22 173.98 2ka5 s ALA 88 N -0.76 -0.34 0.42 11.12 0.00 -1.16 -4.23 121.76 126.81 2ka5 s ALA 88 Ca -0.08 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.34 2ka5 s ALA 88 Cb -0.05 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.82 2ka5 s ALA 88 CO -0.00 -0.64 0.60 -0.51 0.00 0.00 0.00 175.76 175.21 2ka5 s LEU 89 N -2.90 3.67 0.01 0.00 1.43 0.10 -1.89 118.68 119.11 2ka5 s LEU 89 Ca 0.11 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 2ka5 s LEU 89 Cb 0.03 -2.80 0.02 0.00 0.03 0.00 0.00 46.19 43.46 2ka5 s LEU 89 CO -0.05 -0.73 0.27 0.54 0.23 0.00 0.00 176.35 176.61 2ka5 s VAL 90 N -2.41 0.08 -1.07 -1.59 0.11 -0.37 -0.11 120.40 115.03 2ka5 s VAL 90 Ca 0.52 -0.63 -0.23 0.00 -2.93 0.00 0.00 61.98 58.71 2ka5 s VAL 90 Cb -0.10 -0.73 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 2ka5 s VAL 90 CO 0.34 -0.34 0.65 -0.24 -3.33 0.00 0.00 175.10 172.18 2ka5 n SER 91 N 1.01 -4.32 -4.07 3.54 2.88 0.18 0.08 113.62 112.91 2ka5 n SER 91 Ca -0.20 -1.20 -0.30 0.00 -1.33 0.00 0.00 58.87 55.84 2ka5 n SER 91 Cb 0.57 -1.58 0.23 0.00 -0.75 0.00 0.00 64.21 62.68 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 -6.59 -0.85 0.29 -1.46 0.04 -1.26 -3.23 135.00 121.93 2ka5 s PRO 92 Ca 0.32 0.13 0.05 0.00 0.04 0.00 0.00 61.00 61.54 2ka5 s PRO 92 Cb -0.18 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 2ka5 s PRO 92 CO 0.95 -3.50 -0.01 -0.80 0.04 0.00 0.00 177.00 173.67 2ka5 s ASN 93 N -3.69 2.49 0.24 6.66 0.02 -1.26 -4.96 114.94 114.43 2ka5 s ASN 93 Ca 0.69 -1.25 -0.06 0.00 -1.02 0.00 0.00 52.86 51.21 2ka5 s ASN 93 Cb -0.13 -0.11 0.29 0.00 0.02 0.00 0.00 41.25 41.32 2ka5 s ASN 93 CO 0.57 -0.46 1.87 -0.08 0.02 0.00 0.00 177.10 179.02 2ka5 h GLU 94 N 2.26 0.99 0.00 -0.60 4.57 -1.99 -0.44 114.58 119.38 2ka5 h GLU 94 Ca -0.40 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2ka5 h GLU 94 Cb 1.23 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2ka5 h GLU 94 CO 0.68 0.66 -0.02 -0.22 -1.18 0.00 0.00 179.01 178.93 2ka5 h LYS 95 N 1.02 0.00 0.01 1.92 3.11 -1.97 0.33 116.57 121.00 2ka5 h LYS 95 Ca 0.35 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.98 2ka5 h LYS 95 Cb 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.28 2ka5 h LYS 95 CO -0.14 0.02 -1.15 0.28 -2.81 0.00 0.00 179.45 175.65 2ka5 h VAL 96 N 0.00 1.01 -0.73 2.00 2.07 -1.36 -3.31 116.25 115.93 2ka5 h VAL 96 Ca -0.00 -2.21 0.12 0.00 0.82 0.00 0.00 66.70 65.43 2ka5 h VAL 96 Cb 0.05 2.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 2ka5 h VAL 96 CO 0.00 0.38 0.48 -0.33 0.02 0.00 0.00 177.57 178.12 2ka5 h GLU 97 N -0.93 0.50 -0.08 1.57 4.39 -0.59 0.37 114.58 119.81 2ka5 h GLU 97 Ca -0.31 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 2ka5 h GLU 97 Cb 1.32 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2ka5 h GLU 97 CO -0.17 0.33 -0.15 0.07 -1.16 0.00 0.00 179.01 177.93 2ka5 h ARG 98 N 0.51 0.12 0.00 2.33 -0.00 -1.08 -0.99 114.38 115.27 2ka5 h ARG 98 Ca 0.35 -0.03 -0.40 0.00 -0.00 0.00 0.00 59.98 59.90 2ka5 h ARG 98 Cb 0.65 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.97 30.53 2ka5 h ARG 98 CO -0.12 0.28 -2.49 1.55 -0.00 0.00 0.00 179.97 179.19 2ka5 n VAL 99 N -4.30 1.50 0.30 0.08 3.14 -0.32 -3.94 118.33 114.79 2ka5 n VAL 99 Ca -0.02 -0.55 0.11 0.00 -2.96 0.00 0.00 64.34 60.93 2ka5 n VAL 99 Cb 0.25 -1.48 0.52 0.00 -1.06 0.00 0.00 33.84 32.07 2ka5 n VAL 99 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2ka5 n LEU 100 N -3.39 0.61 -0.04 6.55 4.32 0.12 -1.09 117.00 124.07 2ka5 n LEU 100 Ca -0.47 0.70 -0.21 0.00 -0.02 0.00 0.00 56.01 56.01 2ka5 n LEU 100 Cb 0.98 -0.68 -0.13 0.00 -1.62 0.00 0.00 43.42 41.97 2ka5 n LEU 100 CO 0.23 -0.71 -0.92 -1.20 -1.22 0.00 0.00 177.39 173.56 2ka5 n SER 101 N -2.23 2.06 0.00 -1.43 7.64 -0.38 -0.23 113.62 119.06 2ka5 n SER 101 Ca 0.01 0.16 -0.02 0.00 1.01 0.00 0.00 58.87 60.03 2ka5 n SER 101 Cb 0.15 -0.78 0.25 0.00 -1.01 0.00 0.00 64.21 62.82 2ka5 n SER 101 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ka5 h LEU 102 N -0.10 0.49 -1.02 -3.43 -0.00 -1.44 -1.58 115.31 108.23 2ka5 h LEU 102 Ca -0.46 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.29 2ka5 h LEU 102 Cb 1.91 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 2ka5 h LEU 102 CO -0.00 0.64 -0.14 1.07 -0.00 0.00 0.00 178.44 180.01 2ka5 n THR 103 N -4.21 0.00 -2.90 0.22 5.66 -0.25 -5.00 114.28 107.80 2ka5 n THR 103 Ca 0.01 -0.26 -0.08 0.00 -3.05 0.00 0.00 64.05 60.66 2ka5 n THR 103 Cb 0.32 0.76 0.01 0.00 -1.55 0.00 0.00 70.33 69.86 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 0.13 -7.67 0.05 1.09 3.02 -0.60 -5.04 115.26 106.25 2ka5 n ASN 104 Ca 0.15 0.73 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 2ka5 n ASN 104 Cb 0.41 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.79 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 0.10 0.82 0.32 3.41 -0.00 0.69 -4.72 117.00 117.61 2ka5 n LEU 105 Ca 0.06 0.16 0.21 0.00 -0.00 0.00 0.00 56.01 56.43 2ka5 n LEU 105 Cb 0.35 -0.21 1.02 0.00 -0.00 0.00 0.00 43.42 44.58 2ka5 n LEU 105 CO 0.45 -0.67 1.11 -2.24 -0.00 0.00 0.00 177.39 176.05 2ka5 h ASP 106 N 0.00 0.00 1.22 1.96 2.03 -1.17 -1.25 116.42 119.22 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 0.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 2ka5 h ASP 106 CO 0.00 0.00 -0.31 0.08 -1.03 0.00 0.00 179.24 177.98 2ka5 h ARG 107 N 0.00 0.00 0.10 4.15 0.11 -1.87 -3.33 114.38 113.54 2ka5 h ARG 107 Ca -0.00 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.74 2ka5 h ARG 107 Cb 0.19 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 2ka5 h ARG 107 CO 0.00 0.00 -1.83 0.82 0.10 0.00 0.00 179.97 179.06 2ka5 h ILE 108 N 0.00 0.79 -3.96 0.08 1.08 -1.51 -3.48 117.51 110.51 2ka5 h ILE 108 Ca 0.00 -2.52 -0.37 0.00 -0.39 0.00 0.00 64.86 61.58 2ka5 h ILE 108 Cb 0.77 2.55 -0.22 0.00 -3.07 0.00 0.00 36.82 36.85 2ka5 h ILE 108 CO 0.00 0.78 -0.76 -0.69 -0.69 0.00 0.00 178.15 176.79 2ka5 s VAL 109 N -2.58 0.91 0.84 1.67 1.01 -1.11 -5.12 120.40 116.03 2ka5 s VAL 109 Ca -0.15 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.50 2ka5 s VAL 109 Cb 0.07 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.61 2ka5 s VAL 109 CO 0.80 -0.26 0.95 0.29 0.00 0.00 0.00 175.10 176.88 2ka5 n LYS 110 N 1.40 0.01 -3.86 2.72 4.76 -1.26 -4.68 118.16 117.25 2ka5 n LYS 110 Ca -0.21 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.19 2ka5 n LYS 110 Cb 0.54 -2.23 -0.10 0.00 -1.84 0.00 0.00 35.03 31.40 2ka5 n LYS 110 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2ka5 s ILE 111 N -2.22 0.08 0.13 -0.18 1.10 -1.26 -0.72 121.20 118.12 2ka5 s ILE 111 Ca 0.68 -0.62 -0.01 0.00 -0.51 0.00 0.00 60.65 60.18 2ka5 s ILE 111 Cb -0.28 -0.44 -0.04 0.00 0.15 0.00 0.00 42.46 41.86 2ka5 s ILE 111 CO 0.56 -0.34 0.06 -0.31 -2.11 0.00 0.00 174.94 172.80 2ka5 s TYR 112 N -1.28 0.82 -0.19 3.50 2.02 0.85 -4.83 117.35 118.24 2ka5 s TYR 112 Ca -0.14 -1.21 -0.19 0.00 -0.37 0.00 0.00 57.07 55.17 2ka5 s TYR 112 Cb -0.07 -0.46 -0.16 0.00 -0.40 0.00 0.00 41.96 40.87 2ka5 s TYR 112 CO 0.02 -0.52 0.17 -0.44 -1.57 0.00 0.00 175.55 173.21 2ka5 h ASP 113 N 2.87 0.00 -2.13 2.29 5.19 -1.93 0.53 116.42 123.24 2ka5 h ASP 113 Ca -0.35 -0.43 -0.59 0.00 -0.62 0.00 0.00 57.03 55.05 2ka5 h ASP 113 Cb 1.20 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.57 2ka5 h ASP 113 CO 0.59 1.27 -0.55 0.42 -3.12 0.00 0.00 179.24 177.85 2ka5 s THR 114 N -2.30 1.11 0.13 0.35 -4.23 -1.26 -3.00 115.64 106.44 2ka5 s THR 114 Ca -0.24 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.11 2ka5 s THR 114 Cb 0.04 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2ka5 s THR 114 CO 0.51 0.00 1.65 0.40 -0.54 0.00 0.00 174.62 176.64 2ka5 h ILE 115 N 1.73 1.21 0.00 2.99 1.08 -1.98 -3.13 117.51 119.41 2ka5 h ILE 115 Ca -0.40 -0.67 -0.10 0.00 -0.39 0.00 0.00 64.86 63.30 2ka5 h ILE 115 Cb 1.27 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 2ka5 h ILE 115 CO 0.68 0.24 -0.46 -1.28 -0.69 0.00 0.00 178.15 176.64 2ka5 h SER 116 N 0.46 0.00 0.89 1.72 0.87 -2.00 0.14 113.55 115.64 2ka5 h SER 116 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2ka5 h SER 116 Cb 0.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2ka5 h SER 116 CO -0.01 0.46 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.65 2ka5 h GLU 117 N 0.00 0.00 0.00 2.24 4.81 -1.97 -3.29 114.58 116.38 2ka5 h GLU 117 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 2ka5 h GLU 117 Cb 0.92 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 2ka5 h GLU 117 CO 0.06 0.03 -1.62 0.00 -0.73 0.00 0.00 179.01 176.74 2ka5 n ALA 118 N -2.11 0.90 0.01 2.92 0.00 -0.09 -3.95 120.51 118.19 2ka5 n ALA 118 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 53.44 52.64 2ka5 n ALA 118 Cb 0.29 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.96 -0.56 0.00 0.00 4.05 -0.87 0.66 114.93 117.24 2ka5 h MET 119 Ca -0.44 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 2ka5 h MET 119 Cb 1.41 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.34 2ka5 h MET 119 CO -0.26 -0.38 -0.54 1.05 0.23 0.00 0.00 176.91 177.02 2ka5 h GLU 120 N -0.58 0.00 0.12 0.39 4.11 -1.83 -3.36 114.58 113.43 2ka5 h GLU 120 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2ka5 h GLU 120 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2ka5 h GLU 120 CO -0.39 0.00 -0.06 1.49 0.07 0.00 0.00 179.01 180.12 2ka5 h GLU 121 N 0.00 -0.16 -1.06 1.06 4.81 -1.48 -3.35 114.58 114.40 2ka5 h GLU 121 Ca 0.00 0.01 0.31 0.00 -0.13 0.00 0.00 59.36 59.55 2ka5 h GLU 121 Cb 0.82 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 2ka5 h GLU 121 CO 0.00 -0.10 0.84 -0.24 -0.73 0.00 0.00 179.01 178.78 2ka5 h VAL 122 N -1.04 0.34 -0.09 0.32 3.04 -1.06 0.45 116.25 118.21 2ka5 h VAL 122 Ca -0.02 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.70 2ka5 h VAL 122 Cb 0.14 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 29.80 2ka5 h VAL 122 CO 0.03 0.00 0.08 0.03 -1.01 0.00 0.00 177.57 176.70 2ka5 h ARG 123 N 0.00 0.00 0.00 4.17 2.47 -1.71 -3.35 114.38 115.97 2ka5 h ARG 123 Ca 0.50 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 59.06 2ka5 h ARG 123 Cb 2.18 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 30.35 2ka5 h ARG 123 CO -0.01 0.00 -0.26 2.89 0.56 0.00 0.00 179.97 183.15 2ka5 n ARG 124 N -4.23 1.26 0.00 0.04 0.00 0.12 -5.16 116.66 108.69 2ka5 n ARG 124 Ca -0.01 -1.16 0.00 0.00 -0.00 0.00 0.00 57.85 56.69 2ka5 n ARG 124 Cb 0.19 0.42 0.00 0.00 -0.00 0.00 0.00 32.46 33.06 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99