#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 4.17 1.60 -5.12 0.00 -1.26 -5.17 105.19 99.41 2ka5 n GLY 2 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 -8.60 -4.73 1.61 7.64 -1.26 -4.94 113.62 103.34 2ka5 n SER 3 Ca 0.00 1.81 -0.41 0.00 1.01 0.00 0.00 58.87 61.28 2ka5 n SER 3 Cb 0.00 -5.12 -0.05 0.00 -1.01 0.00 0.00 64.21 58.03 2ka5 n SER 3 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2ka5 s ASP 4 N -5.12 7.47 -0.67 6.43 -4.77 -1.26 -4.99 116.67 113.76 2ka5 s ASP 4 Ca 0.00 1.76 -0.27 0.00 -3.30 0.00 0.00 52.55 50.74 2ka5 s ASP 4 Cb 0.00 -2.57 0.01 0.00 -1.09 0.00 0.00 42.92 39.27 2ka5 s ASP 4 CO 0.00 -0.03 1.45 -1.59 0.70 0.00 0.00 175.17 175.70 2ka5 s LYS 5 N -0.12 3.07 -0.30 2.11 -2.85 -1.26 -4.93 119.74 115.45 2ka5 s LYS 5 Ca 0.45 0.10 -0.03 0.00 -1.00 0.00 0.00 55.97 55.50 2ka5 s LYS 5 Cb -0.23 -4.22 0.10 0.00 -2.06 0.00 0.00 37.83 31.42 2ka5 s LYS 5 CO 0.29 -2.26 0.13 -1.50 0.10 0.00 0.00 175.35 172.12 2ka5 s ILE 6 N 6.64 0.23 -0.33 3.79 1.10 -1.26 -5.08 121.20 126.29 2ka5 s ILE 6 Ca 0.46 -1.06 0.04 0.00 -0.51 0.00 0.00 60.65 59.59 2ka5 s ILE 6 Cb -0.10 -1.19 0.17 0.00 0.15 0.00 0.00 42.46 41.49 2ka5 s ILE 6 CO 0.18 -0.74 0.46 -2.28 -2.11 0.00 0.00 174.94 170.45 2ka5 s HIS 7 N 1.84 -1.06 1.18 3.50 2.46 -1.26 -5.16 115.29 116.79 2ka5 s HIS 7 Ca 0.10 0.12 -0.13 0.00 0.47 0.00 0.00 55.06 55.62 2ka5 s HIS 7 Cb -0.17 -0.08 0.29 0.00 -0.13 0.00 0.00 32.58 32.49 2ka5 s HIS 7 CO -0.30 -1.03 1.02 -1.01 -2.47 0.00 0.00 174.74 170.96 2ka5 s HIS 8 N 2.19 1.35 -0.81 3.88 3.76 -1.26 -4.93 115.29 119.46 2ka5 s HIS 8 Ca 0.12 1.14 -0.18 0.00 -0.15 0.00 0.00 55.06 56.00 2ka5 s HIS 8 Cb -0.11 -3.09 0.14 0.00 1.11 0.00 0.00 32.58 30.63 2ka5 s HIS 8 CO -0.20 -3.93 0.93 -1.58 -0.85 0.00 0.00 174.74 169.12 2ka5 s HIS 9 N -2.47 3.23 -0.32 1.40 2.46 -1.26 -4.75 115.29 113.59 2ka5 s HIS 9 Ca 0.68 -1.40 0.17 0.00 0.47 0.00 0.00 55.06 54.99 2ka5 s HIS 9 Cb -0.25 -4.11 0.45 0.00 -0.13 0.00 0.00 32.58 28.55 2ka5 s HIS 9 CO 0.65 -1.33 1.23 1.58 -2.47 0.00 0.00 174.74 174.40 2ka5 n HIS 10 N 5.92 -0.21 -1.92 3.88 -0.00 -1.26 -5.12 115.22 116.51 2ka5 n HIS 10 Ca 0.12 -2.13 -0.37 0.00 -0.00 0.00 0.00 57.72 55.34 2ka5 n HIS 10 Cb 0.47 0.49 0.03 0.00 -0.00 0.00 0.00 29.99 30.99 2ka5 n HIS 10 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ka5 s HIS 11 N -2.01 2.39 0.00 1.57 -3.43 -1.26 -5.03 115.29 107.51 2ka5 s HIS 11 Ca 0.21 1.45 0.00 0.00 -0.80 0.00 0.00 55.06 55.92 2ka5 s HIS 11 Cb 0.40 -3.64 0.00 0.00 -1.43 0.00 0.00 32.58 27.91 2ka5 s HIS 11 CO -0.05 -2.50 0.00 1.58 -2.00 0.00 0.00 174.74 171.76 2ka5 n HIS 12 N -1.17 0.00 -3.22 0.38 -0.00 -1.26 -5.06 115.22 104.89 2ka5 n HIS 12 Ca 0.11 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.27 2ka5 n HIS 12 Cb 0.47 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.32 2ka5 n HIS 12 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 2ka5 s MET 13 N 0.25 0.61 -0.05 1.57 1.75 -1.26 -5.13 119.30 117.03 2ka5 s MET 13 Ca 0.00 0.08 -0.30 0.00 -1.25 0.00 0.00 55.69 54.22 2ka5 s MET 13 Cb 0.00 -0.02 -0.05 0.00 2.84 0.00 0.00 34.83 37.60 2ka5 s MET 13 CO 0.00 -1.10 1.50 -0.06 -0.65 0.00 0.00 175.02 174.71 2ka5 s PHE 14 N 2.34 2.45 -0.69 4.11 0.08 -1.26 -4.96 117.98 120.05 2ka5 s PHE 14 Ca 0.12 0.55 -0.27 0.00 0.12 0.00 0.00 56.93 57.45 2ka5 s PHE 14 Cb -0.09 -3.76 0.02 0.00 -0.57 0.00 0.00 43.02 38.62 2ka5 s PHE 14 CO -0.19 -3.01 1.35 -1.25 -0.10 0.00 0.00 175.22 172.02 2ka5 s PRO 15 N 3.32 3.18 0.28 0.24 0.04 -1.26 -4.93 135.00 135.87 2ka5 s PRO 15 Ca 0.67 -0.01 -0.20 0.00 0.04 0.00 0.00 61.00 61.50 2ka5 s PRO 15 Cb -0.31 -4.18 0.05 0.00 0.04 0.00 0.00 34.50 30.10 2ka5 s PRO 15 CO 0.26 -2.14 0.85 1.52 0.04 0.00 0.00 177.00 177.53 2ka5 s TYR 16 N 6.06 -0.00 0.25 0.56 1.13 -1.26 -3.31 117.35 120.78 2ka5 s TYR 16 Ca 0.41 -0.51 0.02 0.00 -1.41 0.00 0.00 57.07 55.58 2ka5 s TYR 16 Cb -0.09 0.75 -0.04 0.00 -1.10 0.00 0.00 41.96 41.49 2ka5 s TYR 16 CO 0.18 -1.25 0.18 -1.59 -2.51 0.00 0.00 175.55 170.56 2ka5 s LYS 17 N -2.81 1.41 0.09 -3.49 -2.85 0.04 -4.93 119.74 107.19 2ka5 s LYS 17 Ca 0.15 -1.78 0.10 0.00 -1.00 0.00 0.00 55.97 53.44 2ka5 s LYS 17 Cb -0.04 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 2ka5 s LYS 17 CO 0.08 -0.48 -0.25 0.42 0.10 0.00 0.00 175.35 175.23 2ka5 s ILE 18 N -3.89 2.35 0.23 3.79 1.01 -1.26 -0.85 121.20 122.58 2ka5 s ILE 18 Ca 0.39 -1.53 0.01 0.00 0.00 0.00 0.00 60.65 59.52 2ka5 s ILE 18 Cb 0.05 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 2ka5 s ILE 18 CO 0.17 0.22 0.04 0.52 0.00 0.00 0.00 174.94 175.89 2ka5 n VAL 19 N 1.28 0.00 -0.01 2.92 0.31 0.92 -4.92 118.33 118.84 2ka5 n VAL 19 Ca -0.17 -1.20 -0.10 0.00 -0.01 0.00 0.00 64.34 62.86 2ka5 n VAL 19 Cb 0.52 0.33 -0.03 0.00 -0.91 0.00 0.00 33.84 33.75 2ka5 n VAL 19 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2ka5 h ASP 20 N 0.71 -0.90 0.00 4.52 3.32 -2.02 -3.14 116.42 118.91 2ka5 h ASP 20 Ca -0.19 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2ka5 h ASP 20 Cb 0.63 0.39 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2ka5 h ASP 20 CO 0.30 -0.33 -0.04 0.47 -1.72 0.00 0.00 179.24 177.92 2ka5 n ASP 21 N -5.39 1.31 -4.54 6.45 8.00 -1.26 -5.10 116.55 116.01 2ka5 n ASP 21 Ca -0.03 -1.88 -0.25 0.00 0.71 0.00 0.00 54.79 53.34 2ka5 n ASP 21 Cb 0.31 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.91 2.37 -0.07 2.53 1.01 -1.19 -4.63 120.40 119.51 2ka5 s VAL 22 Ca 0.05 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 59.82 2ka5 s VAL 22 Cb 0.04 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2ka5 s VAL 22 CO 0.00 -0.25 -0.06 -0.69 0.00 0.00 0.00 175.10 174.11 2ka5 s VAL 23 N -2.57 0.74 -0.42 2.92 1.01 -1.01 -0.05 120.40 121.01 2ka5 s VAL 23 Ca 0.32 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2ka5 s VAL 23 Cb 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 36.38 35.70 2ka5 s VAL 23 CO 0.17 0.29 0.26 -0.63 0.00 0.00 0.00 175.10 175.19 2ka5 s ILE 24 N 1.26 4.08 -0.54 2.22 -1.09 -0.03 -0.59 121.20 126.51 2ka5 s ILE 24 Ca -0.05 -1.55 -0.21 0.00 -2.23 0.00 0.00 60.65 56.60 2ka5 s ILE 24 Cb -0.14 -3.56 0.06 0.00 -1.58 0.00 0.00 42.46 37.23 2ka5 s ILE 24 CO -0.02 -0.57 0.78 -0.76 -1.23 0.00 0.00 174.94 173.14 2ka5 s LEU 25 N 1.37 4.60 -0.74 2.97 1.43 -0.03 -0.78 118.68 127.50 2ka5 s LEU 25 Ca 0.04 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 2ka5 s LEU 25 Cb -0.24 -2.58 0.19 0.00 0.03 0.00 0.00 46.19 43.59 2ka5 s LEU 25 CO 0.01 -1.09 0.58 -0.04 0.23 0.00 0.00 176.35 176.04 2ka5 s MET 26 N 3.28 2.83 0.69 1.70 -1.94 -1.21 -2.96 119.30 121.69 2ka5 s MET 26 Ca 0.21 -2.95 -0.13 0.00 -1.71 0.00 0.00 55.69 51.11 2ka5 s MET 26 Cb -0.17 -3.77 0.01 0.00 2.01 0.00 0.00 34.83 32.91 2ka5 s MET 26 CO 0.14 -1.22 1.10 -1.25 -0.01 0.00 0.00 175.02 173.78 2ka5 s PRO 27 N -0.78 2.70 0.00 2.03 0.04 -1.26 -4.51 135.00 133.21 2ka5 s PRO 27 Ca 0.22 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2ka5 s PRO 27 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2ka5 s PRO 27 CO -0.09 -1.32 0.00 0.27 0.04 0.00 0.00 177.00 175.91 2ka5 n ASN 28 N -2.75 0.00 -3.14 6.66 6.94 -1.26 -4.39 115.26 117.32 2ka5 n ASN 28 Ca 0.10 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.47 2ka5 n ASN 28 Cb 0.52 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.00 1.14 0.00 -3.83 0.00 -1.26 -4.33 118.16 109.87 2ka5 n LYS 29 Ca 0.00 -3.47 0.00 0.00 -0.00 0.00 0.00 58.31 54.84 2ka5 n LYS 29 Cb 0.00 -1.72 0.00 0.00 -0.00 0.00 0.00 35.03 33.31 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 0.23 0.00 -1.05 -1.58 0.28 -1.26 -4.96 120.64 112.29 2ka5 n GLU 30 Ca 0.25 -0.36 -0.19 0.00 -0.16 0.00 0.00 57.16 56.69 2ka5 n GLU 30 Cb 0.65 -0.38 -0.12 0.00 1.43 0.00 0.00 31.44 33.02 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 0.00 6.05 -4.93 -1.84 4.77 -1.26 -4.63 117.00 115.15 2ka5 n LEU 31 Ca 0.00 -3.42 -0.26 0.00 -0.03 0.00 0.00 56.01 52.30 2ka5 n LEU 31 Cb 0.49 -1.41 0.07 0.00 -2.33 0.00 0.00 43.42 40.24 2ka5 n LEU 31 CO 0.00 1.72 0.61 0.54 -1.33 0.00 0.00 177.39 178.93 2ka5 s ASN 32 N 2.11 4.87 0.39 -1.43 2.20 -1.26 -4.51 114.94 117.30 2ka5 s ASN 32 Ca 0.65 0.48 0.08 0.00 -0.94 0.00 0.00 52.86 53.13 2ka5 s ASN 32 Cb 0.27 -1.15 0.83 0.00 -2.00 0.00 0.00 41.25 39.20 2ka5 s ASN 32 CO -0.02 -1.56 1.98 0.40 -2.94 0.00 0.00 177.10 174.95 2ka5 h ILE 33 N -0.58 1.00 0.00 0.54 2.04 -2.01 -1.28 117.51 117.23 2ka5 h ILE 33 Ca -0.44 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2ka5 h ILE 33 Cb 1.31 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2ka5 h ILE 33 CO 0.60 0.12 0.00 -0.33 0.00 0.00 0.00 178.15 178.54 2ka5 h GLU 34 N 0.65 0.00 -2.00 2.37 5.08 -1.94 -2.95 114.58 115.78 2ka5 h GLU 34 Ca 0.29 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.06 2ka5 h GLU 34 Cb 0.29 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.12 2ka5 h GLU 34 CO -0.09 0.00 -0.68 -1.71 -1.00 0.00 0.00 179.01 175.53 2ka5 n ASN 35 N -2.48 4.54 0.09 1.42 5.15 -0.48 -4.50 115.26 118.99 2ka5 n ASN 35 Ca 0.02 -3.69 0.00 0.00 -0.60 0.00 0.00 54.58 50.31 2ka5 n ASN 35 Cb 0.28 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka5 n ALA 36 N -0.33 2.93 -0.14 5.20 0.00 -1.11 -4.45 120.51 122.61 2ka5 n ALA 36 Ca 0.34 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.71 2ka5 n ALA 36 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.97 2ka5 n ALA 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ka5 h HIS 37 N 0.00 0.45 -0.00 0.00 -0.00 -1.86 -2.01 115.15 111.73 2ka5 h HIS 37 Ca 0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.33 2ka5 h HIS 37 Cb 0.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 2ka5 h HIS 37 CO 0.00 0.25 -0.27 1.37 -0.00 0.00 0.00 177.93 179.28 2ka5 h LEU 38 N 0.48 0.01 -0.09 0.26 8.10 -1.86 -3.15 115.31 119.06 2ka5 h LEU 38 Ca 0.18 -0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.21 2ka5 h LEU 38 Cb 0.04 -0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.21 2ka5 h LEU 38 CO -0.10 0.28 -0.27 0.15 -4.11 0.00 0.00 178.44 174.39 2ka5 h PHE 39 N 0.01 -0.72 -0.59 0.17 3.57 -1.58 0.38 116.94 118.18 2ka5 h PHE 39 Ca -0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2ka5 h PHE 39 Cb 0.48 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 2ka5 h PHE 39 CO 0.00 -0.35 0.33 -0.22 -2.23 0.00 0.00 178.31 175.84 2ka5 h LYS 40 N -0.36 0.61 -0.35 1.11 3.11 -1.57 -0.35 116.57 118.77 2ka5 h LYS 40 Ca 0.09 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.85 2ka5 h LYS 40 Cb 0.49 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.56 2ka5 h LYS 40 CO -0.29 0.40 0.06 0.87 -2.81 0.00 0.00 179.45 177.68 2ka5 h LYS 41 N 0.63 0.51 0.40 1.90 1.79 -0.84 0.18 116.57 121.15 2ka5 h LYS 41 Ca 0.26 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 2ka5 h LYS 41 Cb 0.12 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2ka5 h LYS 41 CO -0.15 0.50 -0.19 2.35 -1.08 0.00 0.00 179.45 180.87 2ka5 h TRP 42 N 0.50 -0.50 -0.96 -1.35 7.01 -0.07 -3.28 115.95 117.30 2ka5 h TRP 42 Ca 0.12 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.35 2ka5 h TRP 42 Cb 0.23 0.17 -0.13 0.00 -2.10 0.00 0.00 29.16 27.33 2ka5 h TRP 42 CO 0.01 -0.31 0.51 0.28 -2.79 0.00 0.00 178.44 176.14 2ka5 h VAL 43 N -0.90 0.47 -0.43 2.65 2.07 -0.86 0.18 116.25 119.43 2ka5 h VAL 43 Ca -0.06 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2ka5 h VAL 43 Cb 0.41 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2ka5 h VAL 43 CO 0.09 0.09 0.20 -0.26 0.02 0.00 0.00 177.57 177.71 2ka5 h PHE 44 N 0.47 0.59 0.00 1.57 -1.00 -0.75 -1.04 116.94 116.78 2ka5 h PHE 44 Ca 0.63 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.39 2ka5 h PHE 44 Cb 1.24 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.61 2ka5 h PHE 44 CO -0.06 0.45 -0.60 -3.47 -1.61 0.00 0.00 178.31 173.02 2ka5 n ASP 45 N -4.39 0.99 0.01 2.17 2.03 0.01 -0.55 116.55 116.82 2ka5 n ASP 45 Ca 0.03 -0.54 -0.15 0.00 0.52 0.00 0.00 54.79 54.66 2ka5 n ASP 45 Cb 0.13 1.08 -0.14 0.00 -0.72 0.00 0.00 41.12 41.47 2ka5 n ASP 45 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2ka5 h GLU 46 N 0.00 0.15 0.00 -0.67 4.57 -0.80 -3.44 114.58 114.40 2ka5 h GLU 46 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2ka5 h GLU 46 Cb 0.23 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2ka5 h GLU 46 CO 0.00 0.90 0.00 1.19 -1.18 0.00 0.00 179.01 179.92 2ka5 n PHE 47 N -3.30 -1.01 0.30 0.92 3.72 -0.51 -4.76 117.46 112.81 2ka5 n PHE 47 Ca -0.21 0.18 -0.16 0.00 -0.05 0.00 0.00 57.45 57.21 2ka5 n PHE 47 Cb 1.05 0.30 -0.08 0.00 -0.94 0.00 0.00 39.48 39.80 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 -0.62 -1.42 4.37 3.38 -1.25 -1.25 115.31 118.52 2ka5 h LEU 48 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2ka5 h LEU 48 Cb 0.00 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2ka5 h LEU 48 CO 0.00 -0.36 0.29 0.78 0.09 0.00 0.00 178.44 179.24 2ka5 h ASN 49 N -0.85 0.61 0.00 -0.43 2.35 -1.08 -2.44 115.58 113.73 2ka5 h ASN 49 Ca -0.07 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2ka5 h ASN 49 Cb 0.61 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2ka5 h ASN 49 CO 0.12 0.48 0.08 0.50 -1.65 0.00 0.00 177.43 176.96 2ka5 h LYS 50 N 0.70 0.00 0.00 0.81 3.64 -1.53 -3.44 116.57 116.75 2ka5 h LYS 50 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2ka5 h LYS 50 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2ka5 h LYS 50 CO -0.03 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.56 2ka5 n GLY 51 N -1.25 1.38 3.66 5.01 0.00 -0.92 -5.03 105.19 108.05 2ka5 n GLY 51 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 2.69 -0.78 1.61 2.02 -0.56 -4.90 117.35 115.43 2ka5 s TYR 52 Ca 0.00 0.86 0.13 0.00 -0.37 0.00 0.00 57.07 57.69 2ka5 s TYR 52 Cb 0.00 -3.58 0.41 0.00 -0.40 0.00 0.00 41.96 38.39 2ka5 s TYR 52 CO 0.00 -2.11 1.34 0.09 -1.57 0.00 0.00 175.55 173.30 2ka5 n ASN 53 N 6.64 3.36 -3.35 2.29 5.03 -1.26 -4.27 115.26 123.69 2ka5 n ASN 53 Ca 0.14 -2.30 -0.10 0.00 0.87 0.00 0.00 54.58 53.19 2ka5 n ASN 53 Cb 0.44 -0.35 -0.08 0.00 -1.02 0.00 0.00 39.78 38.78 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 -1.55 0.35 0.13 3.52 1.02 -1.25 -1.04 119.74 120.92 2ka5 s LYS 54 Ca 0.31 0.39 0.07 0.00 0.02 0.00 0.00 55.97 56.77 2ka5 s LYS 54 Cb 0.20 -0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 2ka5 s LYS 54 CO 0.15 -0.75 -0.06 0.42 -0.92 0.00 0.00 175.35 174.19 2ka5 s ILE 55 N 2.52 3.53 0.08 2.17 1.09 -1.18 -2.42 121.20 126.99 2ka5 s ILE 55 Ca 0.12 -1.34 0.05 0.00 -1.10 0.00 0.00 60.65 58.38 2ka5 s ILE 55 Cb -0.15 -2.70 -0.03 0.00 -1.06 0.00 0.00 42.46 38.52 2ka5 s ILE 55 CO -0.20 0.01 -0.15 -0.36 -0.10 0.00 0.00 174.94 174.15 2ka5 s PHE 56 N -1.45 1.28 -0.26 3.97 0.08 0.24 -3.02 117.98 118.83 2ka5 s PHE 56 Ca 0.24 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 56.85 2ka5 s PHE 56 Cb -0.10 -0.71 0.06 0.00 -0.57 0.00 0.00 43.02 41.69 2ka5 s PHE 56 CO 0.16 0.08 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.08 2ka5 s LEU 57 N -1.83 3.42 0.05 -0.37 2.96 -0.63 -0.85 118.68 121.42 2ka5 s LEU 57 Ca -0.00 -1.38 -0.25 0.00 -0.22 0.00 0.00 54.13 52.28 2ka5 s LEU 57 Cb -0.09 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2ka5 s LEU 57 CO 0.02 -0.19 0.78 -0.69 -1.32 0.00 0.00 176.35 174.96 2ka5 s VAL 58 N 1.11 4.72 -1.21 1.68 1.01 -1.16 -0.26 120.40 126.28 2ka5 s VAL 58 Ca -0.09 1.67 0.12 0.00 0.00 0.00 0.00 61.98 63.68 2ka5 s VAL 58 Cb -0.20 -4.13 0.24 0.00 0.00 0.00 0.00 36.38 32.29 2ka5 s VAL 58 CO -0.05 0.36 1.13 0.18 0.00 0.00 0.00 175.10 176.72 2ka5 n LEU 59 N 2.82 2.64 -0.16 3.92 4.32 -0.29 -4.30 117.00 125.95 2ka5 n LEU 59 Ca -0.02 -1.62 -0.02 0.00 -0.02 0.00 0.00 56.01 54.33 2ka5 n LEU 59 Cb 0.50 -0.16 0.07 0.00 -1.62 0.00 0.00 43.42 42.21 2ka5 n LEU 59 CO 0.47 0.61 0.86 -1.28 -1.22 0.00 0.00 177.39 176.84 2ka5 h SER 60 N 2.29 -0.15 -0.21 -1.43 0.87 -1.75 -2.65 113.55 110.52 2ka5 h SER 60 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2ka5 h SER 60 Cb 0.66 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2ka5 h SER 60 CO 0.00 -0.05 0.00 0.47 -0.53 0.00 0.00 176.83 176.72 2ka5 n ASP 61 N -5.20 1.48 -3.86 6.23 8.00 -1.26 -4.77 116.55 117.16 2ka5 n ASP 61 Ca 0.06 -1.82 -0.21 0.00 0.71 0.00 0.00 54.79 53.53 2ka5 n ASP 61 Cb 0.28 -0.14 -0.17 0.00 -0.02 0.00 0.00 41.12 41.07 2ka5 n ASP 61 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ka5 s VAL 62 N -1.72 0.52 0.04 2.53 0.11 -1.00 -4.58 120.40 116.30 2ka5 s VAL 62 Ca 0.26 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 59.07 2ka5 s VAL 62 Cb 0.14 -0.57 -0.22 0.00 -1.53 0.00 0.00 36.38 34.19 2ka5 s VAL 62 CO 0.20 0.24 1.16 -0.08 -3.33 0.00 0.00 175.10 173.29 2ka5 h GLU 63 N 7.49 0.54 0.00 1.54 4.81 -1.86 -3.47 114.58 123.63 2ka5 h GLU 63 Ca -0.33 -0.55 0.01 0.00 -0.13 0.00 0.00 59.36 58.36 2ka5 h GLU 63 Cb 1.14 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2ka5 h GLU 63 CO 0.42 1.18 0.29 -1.13 -0.73 0.00 0.00 179.01 179.04 2ka5 n SER 64 N -4.09 -1.79 -4.10 1.04 3.41 -1.26 -4.00 113.62 102.84 2ka5 n SER 64 Ca -0.10 -2.18 -0.07 0.00 -0.26 0.00 0.00 58.87 56.26 2ka5 n SER 64 Cb 0.73 2.96 -0.10 0.00 -0.26 0.00 0.00 64.21 67.54 2ka5 n SER 64 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2ka5 s ILE 65 N -2.23 0.26 0.47 -1.33 2.07 -1.26 -5.02 121.20 114.15 2ka5 s ILE 65 Ca 0.14 -1.82 -0.11 0.00 -1.41 0.00 0.00 60.65 57.45 2ka5 s ILE 65 Cb -0.04 -1.54 -0.06 0.00 0.13 0.00 0.00 42.46 40.96 2ka5 s ILE 65 CO 0.09 -0.99 0.86 -1.81 -1.91 0.00 0.00 174.94 171.17 2ka5 s ASP 66 N -2.93 6.47 0.55 4.50 1.11 -1.26 -4.94 116.67 120.17 2ka5 s ASP 66 Ca 0.07 1.24 0.28 0.00 0.18 0.00 0.00 52.55 54.32 2ka5 s ASP 66 Cb 0.08 -2.37 1.45 0.00 1.07 0.00 0.00 42.92 43.15 2ka5 s ASP 66 CO -0.10 -0.53 1.96 0.28 1.18 0.00 0.00 175.17 177.96 2ka5 h SER 67 N 0.81 0.00 0.31 0.27 0.02 -1.98 -1.88 113.55 111.11 2ka5 h SER 67 Ca -0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 2ka5 h SER 67 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2ka5 h SER 67 CO 0.63 0.00 -0.15 0.15 -1.14 0.00 0.00 176.83 176.32 2ka5 h PHE 68 N 0.00 -0.39 0.00 3.45 3.04 -1.96 -3.22 116.94 117.87 2ka5 h PHE 68 Ca 0.27 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.15 2ka5 h PHE 68 Cb 1.17 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 2ka5 h PHE 68 CO 0.00 -0.24 -0.30 1.03 -2.02 0.00 0.00 178.31 176.78 2ka5 h SER 69 N -0.45 0.00 -1.00 0.41 0.87 -1.82 -2.94 113.55 108.62 2ka5 h SER 69 Ca -0.04 0.00 0.28 0.00 -1.23 0.00 0.00 61.79 60.80 2ka5 h SER 69 Cb 0.32 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 2ka5 h SER 69 CO 0.07 0.30 0.71 0.25 -0.53 0.00 0.00 176.83 177.63 2ka5 h LEU 70 N 0.00 0.06 0.00 2.23 5.85 -1.39 0.22 115.31 122.27 2ka5 h LEU 70 Ca -0.00 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2ka5 h LEU 70 Cb 0.95 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2ka5 h LEU 70 CO 0.04 0.02 -1.30 1.23 -0.34 0.00 0.00 178.44 178.09 2ka5 h GLY 71 N 0.06 0.00 1.13 3.75 0.00 -1.52 -3.33 103.07 103.15 2ka5 h GLY 71 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.72 2ka5 h GLY 71 CO -0.04 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.41 2ka5 h VAL 72 N 0.00 1.26 -0.16 4.60 2.07 -0.68 -1.33 116.25 122.01 2ka5 h VAL 72 Ca -0.13 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.29 2ka5 h VAL 72 Cb 1.47 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 2ka5 h VAL 72 CO 0.04 0.42 -0.23 0.40 0.02 0.00 0.00 177.57 178.21 2ka5 h ILE 73 N 0.95 0.42 -0.41 4.57 5.03 -1.24 0.51 117.51 127.35 2ka5 h ILE 73 Ca 0.17 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.93 2ka5 h ILE 73 Cb 0.56 0.42 -0.03 0.00 -3.03 0.00 0.00 36.82 34.75 2ka5 h ILE 73 CO 0.03 0.00 0.24 0.58 -0.68 0.00 0.00 178.15 178.32 2ka5 h VAL 74 N -0.28 1.04 -0.76 1.67 2.07 -1.64 -2.78 116.25 115.57 2ka5 h VAL 74 Ca 0.11 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2ka5 h VAL 74 Cb 0.45 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 2ka5 h VAL 74 CO -0.33 0.09 0.42 -1.13 0.02 0.00 0.00 177.57 176.64 2ka5 h ASN 75 N 0.48 0.60 -0.90 0.57 -0.73 0.16 0.11 115.58 115.87 2ka5 h ASN 75 Ca 0.16 0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.39 2ka5 h ASN 75 Cb 0.01 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 38.49 2ka5 h ASN 75 CO -0.08 0.35 0.60 0.40 -0.37 0.00 0.00 177.43 178.33 2ka5 h ILE 76 N 0.73 1.21 0.09 2.57 2.04 -0.83 -1.34 117.51 121.98 2ka5 h ILE 76 Ca 0.36 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2ka5 h ILE 76 Cb 0.31 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2ka5 h ILE 76 CO -0.23 0.22 -0.04 0.25 0.00 0.00 0.00 178.15 178.34 2ka5 h LEU 77 N 1.20 -0.11 -0.45 1.44 7.12 -0.60 -2.35 115.31 121.56 2ka5 h LEU 77 Ca 0.34 -0.03 0.08 0.00 0.13 0.00 0.00 57.88 58.40 2ka5 h LEU 77 Cb -0.11 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 39.99 2ka5 h LEU 77 CO -0.08 -0.05 0.07 0.11 -0.13 0.00 0.00 178.44 178.37 2ka5 h LYS 78 N -0.16 0.19 0.44 1.25 1.57 -0.22 0.11 116.57 119.75 2ka5 h LYS 78 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2ka5 h LYS 78 Cb 0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2ka5 h LYS 78 CO 0.02 0.13 -0.39 0.77 -0.57 0.00 0.00 179.45 179.41 2ka5 h SER 79 N 0.20 -1.05 -0.55 0.86 0.02 -1.23 -2.19 113.55 109.60 2ka5 h SER 79 Ca 0.22 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.35 2ka5 h SER 79 Cb 0.29 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 63.10 2ka5 h SER 79 CO -0.31 -0.55 0.14 0.40 -1.14 0.00 0.00 176.83 175.37 2ka5 h ILE 80 N -0.84 0.72 -0.10 3.27 2.04 -0.88 -0.50 117.51 121.22 2ka5 h ILE 80 Ca -0.04 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2ka5 h ILE 80 Cb 0.73 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2ka5 h ILE 80 CO -0.04 0.05 -0.02 0.77 0.00 0.00 0.00 178.15 178.91 2ka5 h SER 81 N 0.29 0.13 0.82 1.72 4.64 -0.59 0.13 113.55 120.69 2ka5 h SER 81 Ca 0.28 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.35 2ka5 h SER 81 Cb 0.37 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2ka5 h SER 81 CO -0.33 0.18 -1.17 -1.28 -0.87 0.00 0.00 176.83 173.36 2ka5 h SER 82 N 0.14 0.13 1.69 4.97 0.87 -0.68 -3.36 113.55 117.32 2ka5 h SER 82 Ca 0.03 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 2ka5 h SER 82 Cb 0.15 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2ka5 h SER 82 CO 0.00 1.12 -0.18 0.28 -0.53 0.00 0.00 176.83 177.53 2ka5 h SER 83 N 0.02 0.00 0.00 6.23 0.02 0.11 -3.47 113.55 116.46 2ka5 h SER 83 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2ka5 h SER 83 Cb 1.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.40 2ka5 h SER 83 CO 0.15 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 2ka5 n GLY 84 N 1.00 1.13 2.43 -3.77 0.00 -0.64 -5.08 105.19 100.26 2ka5 n GLY 84 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2ka5 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka5 n GLY 85 N 0.00 3.17 3.23 -0.02 0.00 -0.09 -5.00 105.19 106.49 2ka5 n GLY 85 Ca 0.00 -2.28 -0.15 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.91 1.24 -0.13 1.61 0.40 -0.21 -3.90 117.98 115.08 2ka5 s PHE 86 Ca 0.13 -0.68 -0.09 0.00 -0.60 0.00 0.00 56.93 55.69 2ka5 s PHE 86 Cb -0.01 -0.65 0.04 0.00 0.51 0.00 0.00 43.02 42.92 2ka5 s PHE 86 CO 0.08 0.08 0.32 0.12 0.70 0.00 0.00 175.22 176.52 2ka5 s PHE 87 N -2.81 -0.40 0.21 0.36 5.36 -1.26 -3.09 117.98 116.35 2ka5 s PHE 87 Ca 0.12 0.94 -0.00 0.00 -0.96 0.00 0.00 56.93 57.02 2ka5 s PHE 87 Cb -0.01 0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.77 2ka5 s PHE 87 CO 0.01 -0.22 0.15 0.00 -1.46 0.00 0.00 175.22 173.69 2ka5 s ALA 88 N 0.70 1.22 0.43 11.12 0.00 -1.17 -3.63 121.76 130.43 2ka5 s ALA 88 Ca -0.04 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 50.25 2ka5 s ALA 88 Cb -0.06 1.40 -0.06 0.00 0.00 0.00 0.00 23.12 24.40 2ka5 s ALA 88 CO -0.05 -0.60 0.03 -0.51 0.00 0.00 0.00 175.76 174.64 2ka5 s LEU 89 N -3.18 2.80 -0.06 0.00 1.43 -0.04 -1.61 118.68 118.02 2ka5 s LEU 89 Ca 0.39 -1.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.01 2ka5 s LEU 89 Cb 0.07 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.38 2ka5 s LEU 89 CO 0.13 -0.54 0.23 -0.69 0.23 0.00 0.00 176.35 175.72 2ka5 s VAL 90 N -2.73 0.03 -1.05 -1.59 1.01 0.64 -1.71 120.40 115.00 2ka5 s VAL 90 Ca 0.30 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 2ka5 s VAL 90 Cb 0.08 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 36.07 2ka5 s VAL 90 CO 0.16 -0.12 0.68 -0.24 0.00 0.00 0.00 175.10 175.59 2ka5 n SER 91 N 2.40 -4.85 -4.56 3.32 2.88 -0.61 -1.13 113.62 111.06 2ka5 n SER 91 Ca -0.16 -1.06 -0.39 0.00 -1.33 0.00 0.00 58.87 55.93 2ka5 n SER 91 Cb 0.57 -2.25 -0.03 0.00 -0.75 0.00 0.00 64.21 61.75 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 -6.07 3.36 0.78 -1.46 0.04 -1.26 -3.51 135.00 126.87 2ka5 s PRO 92 Ca 0.30 -0.81 -0.15 0.00 0.04 0.00 0.00 61.00 60.39 2ka5 s PRO 92 Cb -0.15 -5.09 0.02 0.00 0.04 0.00 0.00 34.50 29.32 2ka5 s PRO 92 CO 0.91 -2.37 0.83 0.27 0.04 0.00 0.00 177.00 176.68 2ka5 n ASN 93 N 9.77 -0.22 0.26 6.66 6.94 -1.26 -4.55 115.26 132.85 2ka5 n ASN 93 Ca 0.29 0.57 0.12 0.00 -0.02 0.00 0.00 54.58 55.54 2ka5 n ASN 93 Cb 0.50 -1.35 0.71 0.00 -2.36 0.00 0.00 39.78 37.28 2ka5 n ASN 93 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2ka5 h GLU 94 N -0.69 0.00 -0.26 -3.83 4.81 -1.94 -0.31 114.58 112.37 2ka5 h GLU 94 Ca -0.46 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.65 2ka5 h GLU 94 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2ka5 h GLU 94 CO 0.43 0.12 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.27 2ka5 h LYS 95 N 0.00 0.56 0.19 1.92 3.11 -1.89 -2.32 116.57 118.15 2ka5 h LYS 95 Ca -0.00 -0.26 -0.32 0.00 -2.81 0.00 0.00 60.65 57.25 2ka5 h LYS 95 Cb 0.33 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.57 2ka5 h LYS 95 CO 0.02 0.83 -1.53 -0.39 -2.81 0.00 0.00 179.45 175.57 2ka5 h VAL 96 N 0.47 1.20 -0.66 2.00 -1.51 -1.24 -3.35 116.25 113.16 2ka5 h VAL 96 Ca 0.05 -2.73 0.13 0.00 -1.23 0.00 0.00 66.70 62.92 2ka5 h VAL 96 Cb 0.83 2.89 -0.04 0.00 -2.13 0.00 0.00 31.29 32.84 2ka5 h VAL 96 CO 0.07 0.84 0.45 -0.33 -1.23 0.00 0.00 177.57 177.36 2ka5 h GLU 97 N 0.11 0.35 -0.11 5.19 4.39 -1.07 0.32 114.58 123.75 2ka5 h GLU 97 Ca -0.26 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.38 2ka5 h GLU 97 Cb 2.09 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 2ka5 h GLU 97 CO 0.21 0.23 -0.11 0.07 -1.16 0.00 0.00 179.01 178.25 2ka5 h ARG 98 N 0.36 0.17 0.01 2.33 -0.00 -1.55 -2.73 114.38 112.96 2ka5 h ARG 98 Ca 0.32 -0.03 -0.35 0.00 -0.00 0.00 0.00 59.98 59.91 2ka5 h ARG 98 Cb 0.75 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.97 30.63 2ka5 h ARG 98 CO -0.09 0.28 -2.18 1.55 -0.00 0.00 0.00 179.97 179.54 2ka5 n VAL 99 N -4.33 1.50 0.30 0.08 3.14 0.73 -4.07 118.33 115.68 2ka5 n VAL 99 Ca -0.01 -0.79 0.18 0.00 -2.96 0.00 0.00 64.34 60.76 2ka5 n VAL 99 Cb 0.23 -0.85 0.85 0.00 -1.06 0.00 0.00 33.84 33.01 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 0.01 0.00 0.00 6.55 3.38 -0.37 -1.11 115.31 123.76 2ka5 h LEU 100 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2ka5 h LEU 100 Cb 2.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.87 2ka5 h LEU 100 CO 0.03 0.00 -0.01 0.28 0.09 0.00 0.00 178.44 178.83 2ka5 h SER 101 N 0.00 0.00 0.12 -0.43 0.02 -1.67 0.76 113.55 112.35 2ka5 h SER 101 Ca 0.00 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2ka5 h SER 101 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2ka5 h SER 101 CO 0.00 0.65 0.00 0.18 -1.14 0.00 0.00 176.83 176.52 2ka5 n LEU 102 N -4.73 0.00 0.00 5.07 7.99 -0.53 -1.00 117.00 123.80 2ka5 n LEU 102 Ca -0.03 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.24 2ka5 n LEU 102 Cb 0.15 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 2ka5 n LEU 102 CO 0.10 -0.21 0.29 1.07 -1.51 0.00 0.00 177.39 177.13 2ka5 n THR 103 N -1.27 0.32 -3.45 -5.08 5.66 -0.57 -5.04 114.28 104.84 2ka5 n THR 103 Ca 0.03 -0.39 -0.22 0.00 -3.05 0.00 0.00 64.05 60.43 2ka5 n THR 103 Cb 0.05 1.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.85 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 -0.16 -6.00 -0.03 1.09 3.02 -0.17 -5.00 115.26 108.00 2ka5 n ASN 104 Ca 0.00 -0.39 -0.04 0.00 -0.03 0.00 0.00 54.58 54.12 2ka5 n ASN 104 Cb 0.31 -2.85 -0.01 0.00 -0.61 0.00 0.00 39.78 36.61 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 -1.51 1.17 0.04 3.41 -0.00 0.21 -4.42 117.00 115.90 2ka5 n LEU 105 Ca -0.14 0.19 0.11 0.00 -0.00 0.00 0.00 56.01 56.17 2ka5 n LEU 105 Cb 0.63 -0.54 0.57 0.00 -0.00 0.00 0.00 43.42 44.07 2ka5 n LEU 105 CO 0.58 -0.44 1.15 -0.78 -0.00 0.00 0.00 177.39 177.90 2ka5 h ASP 106 N -0.49 0.21 0.00 1.96 1.82 -1.58 0.14 116.42 118.48 2ka5 h ASP 106 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2ka5 h ASP 106 Cb 0.49 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.45 2ka5 h ASP 106 CO 0.00 0.13 0.00 0.54 -1.61 0.00 0.00 179.24 178.30 2ka5 n ARG 107 N -4.47 0.82 0.03 0.28 1.74 -1.26 -3.58 116.66 110.21 2ka5 n ARG 107 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2ka5 n ARG 107 Cb 0.29 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2ka5 n ARG 107 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2ka5 n ILE 108 N -0.90 0.26 -4.04 0.55 5.41 -0.48 -5.08 119.36 115.08 2ka5 n ILE 108 Ca 0.16 0.09 -0.33 0.00 1.00 0.00 0.00 62.75 63.67 2ka5 n ILE 108 Cb 0.07 -1.19 -0.06 0.00 -0.71 0.00 0.00 39.64 37.75 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 -2.00 4.93 0.78 1.39 1.01 0.38 -5.10 120.40 121.80 2ka5 s VAL 109 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2ka5 s VAL 109 Cb 0.00 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.17 2ka5 s VAL 109 CO 0.00 0.33 1.09 -0.54 0.00 0.00 0.00 175.10 175.98 2ka5 s LYS 110 N -1.82 2.18 -0.00 2.72 -0.14 -1.24 -4.22 119.74 117.21 2ka5 s LYS 110 Ca 0.24 1.03 -0.02 0.00 -1.36 0.00 0.00 55.97 55.87 2ka5 s LYS 110 Cb -0.12 -1.90 -0.00 0.00 -1.68 0.00 0.00 37.83 34.13 2ka5 s LYS 110 CO 0.16 -1.66 0.03 0.42 -0.76 0.00 0.00 175.35 173.54 2ka5 s ILE 111 N -2.95 0.04 0.18 2.17 1.09 -1.26 -0.86 121.20 119.60 2ka5 s ILE 111 Ca 0.61 -0.30 -0.02 0.00 -1.10 0.00 0.00 60.65 59.83 2ka5 s ILE 111 Cb -0.17 -0.15 -0.04 0.00 -1.06 0.00 0.00 42.46 41.05 2ka5 s ILE 111 CO 0.56 -0.17 0.14 -0.31 -0.10 0.00 0.00 174.94 175.06 2ka5 s TYR 112 N -0.50 0.98 -0.10 3.97 2.02 -0.69 -4.88 117.35 118.14 2ka5 s TYR 112 Ca -0.06 -1.26 -0.23 0.00 -0.37 0.00 0.00 57.07 55.16 2ka5 s TYR 112 Cb -0.04 -0.46 -0.28 0.00 -0.40 0.00 0.00 41.96 40.79 2ka5 s TYR 112 CO -0.00 -0.63 0.72 -0.44 -1.57 0.00 0.00 175.55 173.63 2ka5 h ASP 113 N 2.66 0.27 -1.08 2.29 3.32 -1.96 -3.14 116.42 118.79 2ka5 h ASP 113 Ca -0.35 -0.90 -0.65 0.00 0.02 0.00 0.00 57.03 55.15 2ka5 h ASP 113 Cb 1.23 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 40.57 2ka5 h ASP 113 CO 0.53 1.34 -0.55 0.42 -1.72 0.00 0.00 179.24 179.26 2ka5 s THR 114 N -2.37 1.65 0.14 0.35 -4.23 -1.26 -1.58 115.64 108.34 2ka5 s THR 114 Ca -0.18 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.23 2ka5 s THR 114 Cb 0.01 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2ka5 s THR 114 CO 0.75 0.00 1.57 0.40 -0.54 0.00 0.00 174.62 176.81 2ka5 h ILE 115 N 1.55 1.27 -0.40 2.99 1.08 -1.94 -3.29 117.51 118.77 2ka5 h ILE 115 Ca -0.44 -1.16 -0.12 0.00 -0.39 0.00 0.00 64.86 62.76 2ka5 h ILE 115 Cb 1.27 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 2ka5 h ILE 115 CO 0.77 0.40 -0.23 -1.28 -0.69 0.00 0.00 178.15 177.12 2ka5 h SER 116 N 0.70 0.82 0.05 1.72 0.87 -1.98 0.24 113.55 115.96 2ka5 h SER 116 Ca 0.12 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2ka5 h SER 116 Cb 0.59 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2ka5 h SER 116 CO 0.04 1.02 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.99 2ka5 h GLU 117 N 0.70 0.00 0.00 2.24 5.08 -1.98 -2.54 114.58 118.08 2ka5 h GLU 117 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2ka5 h GLU 117 Cb 0.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2ka5 h GLU 117 CO 0.06 0.03 -0.12 0.00 -1.00 0.00 0.00 179.01 177.99 2ka5 h ALA 118 N 1.97 0.02 -0.34 3.43 0.00 -1.21 -3.35 119.26 119.77 2ka5 h ALA 118 Ca -0.00 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.65 2ka5 h ALA 118 Cb 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ka5 h ALA 118 CO 0.00 0.08 0.27 1.98 0.00 0.00 0.00 179.25 181.58 2ka5 h MET 119 N -1.00 0.00 -0.02 0.00 4.05 -0.16 0.29 114.93 118.09 2ka5 h MET 119 Ca -0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2ka5 h MET 119 Cb 0.61 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 2ka5 h MET 119 CO -0.02 0.00 -0.05 -0.85 0.23 0.00 0.00 176.91 176.22 2ka5 n GLU 120 N -4.24 1.54 0.00 0.39 0.28 -1.20 -4.50 120.64 112.91 2ka5 n GLU 120 Ca 0.05 -1.48 0.00 0.00 -0.16 0.00 0.00 57.16 55.57 2ka5 n GLU 120 Cb 0.44 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.96 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 0.86 1.66 0.18 3.44 4.07 0.77 -4.34 120.64 127.27 2ka5 n GLU 121 Ca 0.10 0.00 0.16 0.00 -0.06 0.00 0.00 57.16 57.36 2ka5 n GLU 121 Cb 0.44 -0.92 0.77 0.00 -0.06 0.00 0.00 31.44 31.68 2ka5 n GLU 121 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2ka5 h VAL 122 N 0.00 0.62 -0.65 6.31 2.07 -1.16 0.69 116.25 124.12 2ka5 h VAL 122 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 2ka5 h VAL 122 Cb 0.83 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2ka5 h VAL 122 CO 0.00 0.00 0.45 0.03 0.02 0.00 0.00 177.57 178.07 2ka5 h ARG 123 N 0.00 0.16 0.00 1.57 3.08 -1.76 -3.30 114.38 114.13 2ka5 h ARG 123 Ca 0.10 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2ka5 h ARG 123 Cb 0.49 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 2ka5 h ARG 123 CO -0.00 0.10 -0.46 0.54 -1.07 0.00 0.00 179.97 179.08 2ka5 n ARG 124 N -4.41 0.65 0.00 0.04 3.00 0.21 -5.15 116.66 111.00 2ka5 n ARG 124 Ca 0.12 -2.05 0.00 0.00 -0.01 0.00 0.00 57.85 55.91 2ka5 n ARG 124 Cb 0.61 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 32.19 2ka5 n ARG 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26