#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 n GLY 2 N 0.00 -1.27 3.55 3.17 0.00 -1.26 -4.81 105.19 104.57 2ka5 n GLY 2 Ca 0.00 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 2ka5 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ka5 s SER 3 N -3.12 5.69 0.00 1.61 1.04 -1.26 -4.67 113.70 112.98 2ka5 s SER 3 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2ka5 s SER 3 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2ka5 s SER 3 CO 0.00 -2.11 0.00 -0.67 0.98 0.00 0.00 173.24 171.44 2ka5 n ASP 4 N 11.17 0.00 -1.03 7.02 2.03 -1.26 -3.65 116.55 130.83 2ka5 n ASP 4 Ca 0.13 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.46 2ka5 n ASP 4 Cb 0.51 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 2ka5 n ASP 4 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2ka5 n LYS 5 N 0.00 0.04 -1.73 -0.67 2.85 -1.26 -4.92 118.16 112.47 2ka5 n LYS 5 Ca 0.00 -1.58 -0.42 0.00 -1.05 0.00 0.00 58.31 55.25 2ka5 n LYS 5 Cb 0.00 -0.26 -0.01 0.00 -0.65 0.00 0.00 35.03 34.10 2ka5 n LYS 5 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2ka5 n ILE 6 N 0.23 1.40 0.00 0.58 2.08 -1.24 -4.81 119.36 117.60 2ka5 n ILE 6 Ca 0.04 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 63.00 2ka5 n ILE 6 Cb 0.94 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 2ka5 n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ka5 n HIS 7 N 1.39 -0.38 -1.65 1.39 1.44 -1.26 -5.04 115.22 111.12 2ka5 n HIS 7 Ca 0.07 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.36 2ka5 n HIS 7 Cb 0.36 0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.51 2ka5 n HIS 7 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2ka5 s HIS 8 N -0.20 1.23 0.00 -1.40 3.76 -1.26 -4.83 115.29 112.58 2ka5 s HIS 8 Ca 0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2ka5 s HIS 8 Cb 0.00 -4.13 0.00 0.00 1.11 0.00 0.00 32.58 29.56 2ka5 s HIS 8 CO 0.00 -5.01 0.75 -2.39 -0.85 0.00 0.00 174.74 167.24 2ka5 n HIS 9 N 9.15 0.00 -2.77 1.40 -0.00 -1.26 -5.09 115.22 116.65 2ka5 n HIS 9 Ca 0.24 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.57 2ka5 n HIS 9 Cb 0.43 0.02 -0.06 0.00 -0.00 0.00 0.00 29.99 30.37 2ka5 n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ka5 s HIS 10 N 0.00 3.88 -0.15 -1.40 3.76 -1.26 -4.74 115.29 115.38 2ka5 s HIS 10 Ca 0.00 1.86 -0.13 0.00 -0.15 0.00 0.00 55.06 56.64 2ka5 s HIS 10 Cb 0.00 -2.95 0.02 0.00 1.11 0.00 0.00 32.58 30.76 2ka5 s HIS 10 CO 0.00 0.37 0.22 0.72 -0.85 0.00 0.00 174.74 175.20 2ka5 n HIS 11 N 1.16 -0.88 -1.42 1.40 8.25 -1.26 -4.94 115.22 117.53 2ka5 n HIS 11 Ca -0.01 0.37 0.07 0.00 -0.26 0.00 0.00 57.72 57.89 2ka5 n HIS 11 Cb 0.48 -0.79 0.10 0.00 1.12 0.00 0.00 29.99 30.90 2ka5 n HIS 11 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ka5 n HIS 12 N 0.32 0.00 0.00 4.41 -0.00 -1.26 -5.09 115.22 113.61 2ka5 n HIS 12 Ca -0.03 -0.76 0.00 0.00 -0.00 0.00 0.00 57.72 56.93 2ka5 n HIS 12 Cb 0.34 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 2ka5 n HIS 12 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2ka5 n MET 13 N -0.95 0.00 -3.39 1.57 0.00 -1.26 -5.08 117.12 108.01 2ka5 n MET 13 Ca 0.12 0.00 -0.26 0.00 -0.00 0.00 0.00 57.70 57.56 2ka5 n MET 13 Cb 0.68 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.80 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 -2.03 0.59 -1.47 1.12 0.08 -1.26 -5.06 117.98 109.96 2ka5 s PHE 14 Ca 0.00 -1.70 -0.13 0.00 0.12 0.00 0.00 56.93 55.22 2ka5 s PHE 14 Cb 0.00 -0.78 0.03 0.00 -0.57 0.00 0.00 43.02 41.70 2ka5 s PHE 14 CO 0.00 -0.87 2.31 -0.35 -0.10 0.00 0.00 175.22 176.22 2ka5 n PRO 15 N 3.62 3.08 -3.64 0.24 -0.04 -1.26 -4.86 135.00 132.13 2ka5 n PRO 15 Ca 0.18 -2.63 -0.10 0.00 -0.04 0.00 0.00 63.50 60.91 2ka5 n PRO 15 Cb 0.43 -3.17 -0.02 0.00 -0.04 0.00 0.00 33.50 30.69 2ka5 n PRO 15 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2ka5 s TYR 16 N 2.73 -0.33 0.38 0.54 -0.85 -1.26 -0.92 117.35 117.64 2ka5 s TYR 16 Ca 0.50 0.00 0.04 0.00 -0.52 0.00 0.00 57.07 57.09 2ka5 s TYR 16 Cb 0.14 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 43.03 2ka5 s TYR 16 CO -0.08 -1.01 0.07 -1.59 -1.52 0.00 0.00 175.55 171.42 2ka5 s LYS 17 N -3.84 1.84 -0.05 -3.49 -2.85 0.04 -4.93 119.74 106.46 2ka5 s LYS 17 Ca 0.06 -2.08 0.06 0.00 -1.00 0.00 0.00 55.97 53.01 2ka5 s LYS 17 Cb -0.03 -0.94 -0.01 0.00 -2.06 0.00 0.00 37.83 34.79 2ka5 s LYS 17 CO -0.04 -0.29 -0.23 0.42 0.10 0.00 0.00 175.35 175.31 2ka5 s ILE 18 N -3.16 1.87 0.00 3.79 -1.09 -1.26 -0.69 121.20 120.66 2ka5 s ILE 18 Ca 0.28 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 2ka5 s ILE 18 Cb 0.06 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.36 2ka5 s ILE 18 CO 0.14 0.52 0.00 1.33 -1.23 0.00 0.00 174.94 175.70 2ka5 n VAL 19 N 2.99 0.00 -0.08 2.92 0.24 -0.14 -4.97 118.33 119.29 2ka5 n VAL 19 Ca -0.18 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.10 2ka5 n VAL 19 Cb 0.52 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.67 2ka5 n VAL 19 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ka5 n ASP 20 N -1.30 -0.19 -0.50 -1.34 2.03 -1.26 -2.46 116.55 111.54 2ka5 n ASP 20 Ca 0.00 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2ka5 n ASP 20 Cb 0.00 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 2ka5 n ASP 20 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2ka5 n ASP 21 N -4.02 0.00 -4.55 1.67 5.75 -1.26 -5.12 116.55 109.02 2ka5 n ASP 21 Ca 0.00 -1.71 -0.34 0.00 -0.01 0.00 0.00 54.79 52.73 2ka5 n ASP 21 Cb 0.05 -0.14 -0.12 0.00 -1.03 0.00 0.00 41.12 39.88 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ka5 s VAL 22 N 0.00 3.74 -0.14 2.12 1.01 -1.03 -4.49 120.40 121.61 2ka5 s VAL 22 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 2ka5 s VAL 22 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2ka5 s VAL 22 CO 0.00 0.56 0.78 -0.69 0.00 0.00 0.00 175.10 175.75 2ka5 s VAL 23 N -0.38 4.94 -0.45 2.92 1.01 -0.84 -0.97 120.40 126.62 2ka5 s VAL 23 Ca 0.06 1.55 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 2ka5 s VAL 23 Cb -0.12 -4.10 0.08 0.00 0.00 0.00 0.00 36.38 32.24 2ka5 s VAL 23 CO 0.02 0.09 0.34 -0.63 0.00 0.00 0.00 175.10 174.93 2ka5 s ILE 24 N 1.77 4.71 -0.14 2.22 -1.09 0.14 -0.05 121.20 128.75 2ka5 s ILE 24 Ca 0.37 -1.31 -0.29 0.00 -2.23 0.00 0.00 60.65 57.19 2ka5 s ILE 24 Cb -0.17 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 2ka5 s ILE 24 CO 0.14 -0.59 1.10 -0.76 -1.23 0.00 0.00 174.94 173.60 2ka5 s LEU 25 N 1.52 4.20 -0.61 2.97 1.43 0.11 -0.78 118.68 127.53 2ka5 s LEU 25 Ca 0.04 1.58 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 2ka5 s LEU 25 Cb -0.24 -3.55 0.20 0.00 0.03 0.00 0.00 46.19 42.63 2ka5 s LEU 25 CO 0.04 -0.59 0.55 0.23 0.23 0.00 0.00 176.35 176.81 2ka5 n MET 26 N 5.65 1.67 -2.12 1.70 2.81 -0.10 -1.82 117.12 124.91 2ka5 n MET 26 Ca 0.11 -4.20 -0.40 0.00 -1.81 0.00 0.00 57.70 51.39 2ka5 n MET 26 Cb 0.47 -2.07 -0.02 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 -1.51 4.30 -0.50 0.03 0.04 -1.26 -4.57 135.00 131.53 2ka5 s PRO 27 Ca 0.32 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.62 2ka5 s PRO 27 Cb 0.05 -3.02 0.28 0.00 0.04 0.00 0.00 34.50 31.86 2ka5 s PRO 27 CO -0.12 -0.23 0.71 0.27 0.04 0.00 0.00 177.00 177.67 2ka5 n ASN 28 N 0.69 2.18 0.00 6.66 2.04 -1.26 -4.23 115.26 121.33 2ka5 n ASN 28 Ca 0.01 -3.16 0.00 0.00 -0.44 0.00 0.00 54.58 50.99 2ka5 n ASN 28 Cb 0.42 -0.63 0.00 0.00 -2.53 0.00 0.00 39.78 37.04 2ka5 n ASN 28 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2ka5 n LYS 29 N 0.74 -0.72 0.00 -3.83 4.01 -1.26 -4.88 118.16 112.22 2ka5 n LYS 29 Ca 0.26 0.18 0.10 0.00 -0.51 0.00 0.00 58.31 58.34 2ka5 n LYS 29 Cb 0.49 -3.84 0.55 0.00 -0.51 0.00 0.00 35.03 31.72 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2ka5 n GLU 30 N -1.30 0.44 -0.05 1.97 0.00 -1.26 -4.64 120.64 115.80 2ka5 n GLU 30 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2ka5 n GLU 30 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.12 2ka5 n GLU 30 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ka5 n LEU 31 N -1.17 1.76 -4.73 -1.84 4.77 -1.26 -4.86 117.00 109.66 2ka5 n LEU 31 Ca 0.12 -0.85 -0.36 0.00 -0.03 0.00 0.00 56.01 54.89 2ka5 n LEU 31 Cb 0.12 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 2ka5 n LEU 31 CO 0.14 0.30 0.85 0.54 -1.33 0.00 0.00 177.39 177.90 2ka5 s ASN 32 N 1.19 4.64 0.29 -1.43 2.20 -1.26 -4.71 114.94 115.86 2ka5 s ASN 32 Ca 0.00 2.48 0.02 0.00 -0.94 0.00 0.00 52.86 54.42 2ka5 s ASN 32 Cb 0.00 -2.60 0.60 0.00 -2.00 0.00 0.00 41.25 37.25 2ka5 s ASN 32 CO 0.00 -1.97 1.81 0.40 -2.94 0.00 0.00 177.10 174.40 2ka5 h ILE 33 N 0.38 0.84 -0.03 0.54 2.04 -1.97 0.21 117.51 119.52 2ka5 h ILE 33 Ca -0.50 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 2ka5 h ILE 33 Cb 1.31 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2ka5 h ILE 33 CO 0.53 0.16 -0.28 -0.33 0.00 0.00 0.00 178.15 178.23 2ka5 h GLU 34 N 0.89 0.05 0.00 2.37 5.08 -1.96 -2.30 114.58 118.71 2ka5 h GLU 34 Ca 0.52 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.58 2ka5 h GLU 34 Cb 0.62 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 2ka5 h GLU 34 CO -0.31 0.33 -1.98 0.27 -1.00 0.00 0.00 179.01 176.32 2ka5 n ASN 35 N -4.19 0.41 -0.05 1.42 6.94 -0.70 -4.38 115.26 114.72 2ka5 n ASN 35 Ca -0.02 0.19 0.03 0.00 -0.02 0.00 0.00 54.58 54.76 2ka5 n ASN 35 Cb 0.34 0.62 0.38 0.00 -2.36 0.00 0.00 39.78 38.75 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ka5 h ALA 36 N 1.16 1.63 0.57 -2.53 0.00 -0.08 0.90 119.26 120.90 2ka5 h ALA 36 Ca -0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2ka5 h ALA 36 Cb 1.96 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2ka5 h ALA 36 CO 0.04 0.33 -0.28 1.25 0.00 0.00 0.00 179.25 180.59 2ka5 h HIS 37 N 0.65 -0.74 0.00 0.00 -0.00 -1.66 -3.22 115.15 110.19 2ka5 h HIS 37 Ca 0.17 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2ka5 h HIS 37 Cb -0.05 0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2ka5 h HIS 37 CO 0.00 -0.45 0.00 1.47 -0.00 0.00 0.00 177.93 178.95 2ka5 n LEU 38 N -4.13 0.00 -0.33 0.26 -0.00 -1.02 -3.51 117.00 108.28 2ka5 n LEU 38 Ca -0.10 0.41 0.22 0.00 -0.00 0.00 0.00 56.01 56.55 2ka5 n LEU 38 Cb 0.31 -0.41 0.43 0.00 -0.00 0.00 0.00 43.42 43.75 2ka5 n LEU 38 CO 0.23 -0.10 0.97 0.15 -0.00 0.00 0.00 177.39 178.64 2ka5 h PHE 39 N 0.00 0.50 0.05 1.47 3.04 -0.83 0.29 116.94 121.45 2ka5 h PHE 39 Ca 0.00 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 2ka5 h PHE 39 Cb 0.31 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 2ka5 h PHE 39 CO 0.00 -0.38 -0.07 -0.22 -2.02 0.00 0.00 178.31 175.62 2ka5 h LYS 40 N 0.08 -0.11 -0.85 1.11 3.64 -1.76 -1.74 116.57 116.94 2ka5 h LYS 40 Ca 0.71 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 60.24 2ka5 h LYS 40 Cb 1.67 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.43 2ka5 h LYS 40 CO -0.78 -0.08 0.44 -0.22 -2.27 0.00 0.00 179.45 176.55 2ka5 h LYS 41 N -0.12 0.63 0.56 1.90 3.64 -0.84 0.11 116.57 122.45 2ka5 h LYS 41 Ca -0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2ka5 h LYS 41 Cb 0.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2ka5 h LYS 41 CO -0.02 0.42 -0.48 2.35 -2.27 0.00 0.00 179.45 179.45 2ka5 h TRP 42 N 0.65 -1.31 -0.74 1.91 7.01 -0.70 0.15 115.95 122.91 2ka5 h TRP 42 Ca 0.46 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.55 2ka5 h TRP 42 Cb 0.62 0.50 -0.05 0.00 -2.10 0.00 0.00 29.16 28.13 2ka5 h TRP 42 CO -0.09 -0.66 0.49 0.28 -2.79 0.00 0.00 178.44 175.68 2ka5 h VAL 43 N -1.01 0.94 -0.28 2.65 2.07 -0.26 0.71 116.25 121.08 2ka5 h VAL 43 Ca -0.07 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 2ka5 h VAL 43 Cb 0.86 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2ka5 h VAL 43 CO -0.02 0.12 -0.44 -0.26 0.02 0.00 0.00 177.57 177.00 2ka5 h PHE 44 N 0.66 0.87 -0.00 1.57 -1.00 -0.52 -2.30 116.94 116.21 2ka5 h PHE 44 Ca 0.34 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.85 2ka5 h PHE 44 Cb 0.45 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.83 2ka5 h PHE 44 CO -0.00 1.03 -0.67 -0.25 -1.61 0.00 0.00 178.31 176.80 2ka5 n ASP 45 N -4.02 0.87 -0.00 2.17 8.00 0.50 -1.09 116.55 122.98 2ka5 n ASP 45 Ca -0.02 -0.93 0.11 0.00 0.71 0.00 0.00 54.79 54.65 2ka5 n ASP 45 Cb 0.55 0.92 -0.16 0.00 -0.02 0.00 0.00 41.12 42.41 2ka5 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ka5 n GLU 46 N -1.18 0.66 0.00 -1.24 -0.58 0.17 -4.85 120.64 113.61 2ka5 n GLU 46 Ca 0.04 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2ka5 n GLU 46 Cb 0.26 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2ka5 n GLU 46 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2ka5 n PHE 47 N -2.30 0.00 -0.10 -0.32 3.72 -1.01 -4.75 117.46 112.71 2ka5 n PHE 47 Ca -0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 2ka5 n PHE 47 Cb 0.58 0.37 -0.04 0.00 -0.94 0.00 0.00 39.48 39.45 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 0.58 -1.36 4.37 3.38 -0.99 -1.52 115.31 119.77 2ka5 h LEU 48 Ca 0.00 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 2ka5 h LEU 48 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2ka5 h LEU 48 CO 0.00 0.84 -0.21 0.78 0.09 0.00 0.00 178.44 179.93 2ka5 h ASN 49 N 0.32 0.00 0.21 -0.43 2.35 -1.40 -0.99 115.58 115.63 2ka5 h ASN 49 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2ka5 h ASN 49 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2ka5 h ASN 49 CO 0.03 0.21 0.00 0.29 -1.65 0.00 0.00 177.43 176.32 2ka5 n LYS 50 N -3.50 0.10 -1.26 0.81 5.02 -0.96 -4.88 118.16 113.48 2ka5 n LYS 50 Ca -0.01 0.23 -0.03 0.00 -2.02 0.00 0.00 58.31 56.49 2ka5 n LYS 50 Cb 0.38 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 2ka5 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ka5 n GLY 51 N -0.50 0.53 3.77 0.72 0.00 -0.38 -5.04 105.19 104.30 2ka5 n GLY 51 Ca 0.04 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.11 3.31 0.00 1.61 2.02 -0.61 -4.96 117.35 116.60 2ka5 s TYR 52 Ca 0.00 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 2ka5 s TYR 52 Cb 0.00 -3.29 0.00 0.00 -0.40 0.00 0.00 41.96 38.27 2ka5 s TYR 52 CO 0.00 -0.87 0.35 0.09 -1.57 0.00 0.00 175.55 173.55 2ka5 n ASN 53 N 0.45 0.66 -4.09 2.29 4.13 -1.26 -4.46 115.26 112.99 2ka5 n ASN 53 Ca 0.02 -1.05 -0.30 0.00 1.68 0.00 0.00 54.58 54.93 2ka5 n ASN 53 Cb 0.47 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.54 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 -0.05 2.50 0.07 3.52 1.02 -1.26 -1.90 119.74 123.63 2ka5 s LYS 54 Ca 0.00 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.40 2ka5 s LYS 54 Cb 0.00 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 2ka5 s LYS 54 CO 0.00 -0.07 -0.20 0.42 -0.92 0.00 0.00 175.35 174.58 2ka5 s ILE 55 N 0.99 1.66 0.19 2.17 1.01 -1.22 -1.99 121.20 124.00 2ka5 s ILE 55 Ca -0.05 -1.34 0.08 0.00 0.00 0.00 0.00 60.65 59.33 2ka5 s ILE 55 Cb -0.15 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2ka5 s ILE 55 CO -0.03 0.08 -0.15 -0.36 0.00 0.00 0.00 174.94 174.48 2ka5 s PHE 56 N -0.96 1.69 -0.21 3.97 0.08 0.93 -2.76 117.98 120.72 2ka5 s PHE 56 Ca 0.07 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.57 2ka5 s PHE 56 Cb -0.09 -0.81 0.05 0.00 -0.57 0.00 0.00 43.02 41.60 2ka5 s PHE 56 CO 0.03 0.32 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.25 2ka5 s LEU 57 N -3.07 2.22 0.13 -0.37 2.96 -0.83 -0.71 118.68 119.01 2ka5 s LEU 57 Ca 0.19 -1.00 -0.30 0.00 -0.22 0.00 0.00 54.13 52.81 2ka5 s LEU 57 Cb -0.02 -1.09 -0.06 0.00 0.50 0.00 0.00 46.19 45.52 2ka5 s LEU 57 CO 0.06 -0.22 1.00 -0.69 -1.32 0.00 0.00 176.35 175.19 2ka5 s VAL 58 N 1.48 4.30 -0.14 1.68 1.01 -0.76 -0.83 120.40 127.14 2ka5 s VAL 58 Ca -0.03 1.93 0.18 0.00 0.00 0.00 0.00 61.98 64.06 2ka5 s VAL 58 Cb -0.18 -4.24 0.36 0.00 0.00 0.00 0.00 36.38 32.33 2ka5 s VAL 58 CO -0.07 0.31 1.23 0.18 0.00 0.00 0.00 175.10 176.75 2ka5 n LEU 59 N 2.66 2.81 0.09 3.92 4.32 0.08 -4.21 117.00 126.66 2ka5 n LEU 59 Ca 0.02 -3.07 -0.13 0.00 -0.02 0.00 0.00 56.01 52.81 2ka5 n LEU 59 Cb 0.48 -0.46 -0.08 0.00 -1.62 0.00 0.00 43.42 41.74 2ka5 n LEU 59 CO 0.52 0.70 0.76 0.28 -1.22 0.00 0.00 177.39 178.43 2ka5 h SER 60 N 0.54 -0.15 0.64 -1.43 0.02 -1.73 -3.34 113.55 108.10 2ka5 h SER 60 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2ka5 h SER 60 Cb 1.13 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2ka5 h SER 60 CO 0.07 0.01 -0.33 -0.67 -1.14 0.00 0.00 176.83 174.77 2ka5 n ASP 61 N -5.11 0.36 -4.73 3.07 2.03 -1.26 -4.84 116.55 106.06 2ka5 n ASP 61 Ca -0.09 -0.05 -0.26 0.00 0.52 0.00 0.00 54.79 54.92 2ka5 n ASP 61 Cb 0.15 0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 40.49 2ka5 n ASP 61 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ka5 s VAL 62 N -2.97 4.12 -0.25 5.18 0.11 -1.25 -4.72 120.40 120.61 2ka5 s VAL 62 Ca 0.13 -1.26 -0.08 0.00 -2.93 0.00 0.00 61.98 57.84 2ka5 s VAL 62 Cb 0.18 -3.09 -0.12 0.00 -1.53 0.00 0.00 36.38 31.81 2ka5 s VAL 62 CO 0.64 -0.12 -0.29 1.21 -3.33 0.00 0.00 175.10 173.21 2ka5 n GLU 63 N -0.27 0.56 -3.94 1.54 2.13 -1.26 -4.96 120.64 114.44 2ka5 n GLU 63 Ca -0.09 0.21 -0.08 0.00 0.66 0.00 0.00 57.16 57.85 2ka5 n GLU 63 Cb 0.55 -1.43 -0.04 0.00 0.27 0.00 0.00 31.44 30.79 2ka5 n GLU 63 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2ka5 s SER 64 N -6.98 -0.13 0.33 4.31 1.04 -1.26 -4.50 113.70 106.51 2ka5 s SER 64 Ca -0.35 -0.82 0.05 0.00 0.48 0.00 0.00 55.95 55.31 2ka5 s SER 64 Cb 0.12 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.87 2ka5 s SER 64 CO 0.48 -1.25 0.22 -0.51 0.98 0.00 0.00 173.24 173.16 2ka5 s ILE 65 N -3.88 0.14 0.30 -1.02 2.07 -1.26 -5.01 121.20 112.53 2ka5 s ILE 65 Ca 0.18 -2.00 0.03 0.00 -1.41 0.00 0.00 60.65 57.44 2ka5 s ILE 65 Cb -0.03 -2.47 -0.06 0.00 0.13 0.00 0.00 42.46 40.03 2ka5 s ILE 65 CO 0.09 0.00 0.08 -0.62 -1.91 0.00 0.00 174.94 172.58 2ka5 s ASP 66 N -3.39 1.83 -0.04 4.50 2.15 -1.26 -5.01 116.67 115.45 2ka5 s ASP 66 Ca 0.37 -1.40 -0.02 0.00 0.43 0.00 0.00 52.55 51.92 2ka5 s ASP 66 Cb 0.03 0.07 -0.10 0.00 -0.30 0.00 0.00 42.92 42.63 2ka5 s ASP 66 CO 0.22 -0.69 1.68 -1.20 -0.17 0.00 0.00 175.17 175.01 2ka5 n SER 67 N -0.62 2.05 0.00 -0.34 7.64 -1.26 -1.97 113.62 119.12 2ka5 n SER 67 Ca -0.01 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 57.98 2ka5 n SER 67 Cb 0.66 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2ka5 n SER 67 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2ka5 n PHE 68 N 2.92 0.00 0.23 1.43 -0.00 -1.26 -4.94 117.46 115.83 2ka5 n PHE 68 Ca 0.17 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.70 2ka5 n PHE 68 Cb 0.33 0.24 0.55 0.00 -0.00 0.00 0.00 39.48 40.59 2ka5 n PHE 68 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2ka5 h SER 69 N 0.00 0.00 -0.94 -2.13 0.02 -1.82 -2.55 113.55 106.13 2ka5 h SER 69 Ca 0.00 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 2ka5 h SER 69 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2ka5 h SER 69 CO 0.00 0.22 0.62 -0.07 -1.14 0.00 0.00 176.83 176.45 2ka5 h LEU 70 N 0.00 0.40 -0.56 5.07 3.38 -1.76 0.23 115.31 122.07 2ka5 h LEU 70 Ca -0.00 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2ka5 h LEU 70 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2ka5 h LEU 70 CO 0.03 0.15 -0.62 1.23 0.09 0.00 0.00 178.44 179.32 2ka5 h GLY 71 N 0.39 0.39 1.67 0.83 0.00 -1.74 -3.21 103.07 101.41 2ka5 h GLY 71 Ca 0.49 -0.49 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2ka5 h GLY 71 CO -0.19 0.44 -0.87 -2.08 0.00 0.00 0.00 176.54 173.83 2ka5 h VAL 72 N 0.26 1.44 -0.54 4.60 2.07 -1.11 -0.63 116.25 122.34 2ka5 h VAL 72 Ca -0.01 -2.47 0.06 0.00 0.82 0.00 0.00 66.70 65.10 2ka5 h VAL 72 Cb 1.14 2.39 -0.05 0.00 -1.52 0.00 0.00 31.29 33.25 2ka5 h VAL 72 CO 0.10 0.73 0.24 0.40 0.02 0.00 0.00 177.57 179.07 2ka5 h ILE 73 N 0.18 0.88 -0.31 4.57 5.03 -1.51 -1.92 117.51 124.42 2ka5 h ILE 73 Ca -0.05 -0.16 -0.02 0.00 -0.12 0.00 0.00 64.86 64.51 2ka5 h ILE 73 Cb 1.49 0.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.65 2ka5 h ILE 73 CO 0.14 0.08 0.10 0.58 -0.68 0.00 0.00 178.15 178.38 2ka5 h VAL 74 N 0.46 1.20 -1.00 1.67 2.07 -1.46 -3.09 116.25 116.09 2ka5 h VAL 74 Ca 0.26 -0.62 0.21 0.00 0.82 0.00 0.00 66.70 67.36 2ka5 h VAL 74 Cb 0.23 1.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.91 2ka5 h VAL 74 CO -0.22 0.21 0.61 -1.13 0.02 0.00 0.00 177.57 177.07 2ka5 h ASN 75 N 0.34 0.73 -0.21 0.57 -0.73 -0.39 0.14 115.58 116.03 2ka5 h ASN 75 Ca 0.10 0.11 -0.00 0.00 1.87 0.00 0.00 56.30 58.38 2ka5 h ASN 75 Cb 0.23 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 2ka5 h ASN 75 CO -0.00 0.21 0.13 0.40 -0.37 0.00 0.00 177.43 177.79 2ka5 h ILE 76 N 0.68 1.08 -0.31 2.57 2.04 -1.31 -1.91 117.51 120.36 2ka5 h ILE 76 Ca 0.60 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 66.26 2ka5 h ILE 76 Cb 1.04 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2ka5 h ILE 76 CO -0.40 0.08 0.19 0.25 0.00 0.00 0.00 178.15 178.27 2ka5 h LEU 77 N 0.25 0.32 -0.48 1.44 7.12 -0.76 -2.02 115.31 121.19 2ka5 h LEU 77 Ca 0.07 -0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.13 2ka5 h LEU 77 Cb 0.02 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.03 2ka5 h LEU 77 CO -0.01 0.23 0.21 0.11 -0.13 0.00 0.00 178.44 178.85 2ka5 h LYS 78 N 0.39 0.41 0.34 1.25 1.57 -0.84 0.16 116.57 119.84 2ka5 h LYS 78 Ca 0.12 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2ka5 h LYS 78 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2ka5 h LYS 78 CO -0.04 0.27 -0.45 1.03 -0.57 0.00 0.00 179.45 179.69 2ka5 h SER 79 N 0.42 -1.25 -0.36 0.86 0.87 -1.11 -2.39 113.55 110.58 2ka5 h SER 79 Ca 0.22 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.95 2ka5 h SER 79 Cb 0.16 0.44 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 2ka5 h SER 79 CO -0.18 -0.57 0.07 0.40 -0.53 0.00 0.00 176.83 176.02 2ka5 h ILE 80 N -0.83 0.82 0.00 2.23 2.04 -0.55 0.21 117.51 121.43 2ka5 h ILE 80 Ca -0.03 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2ka5 h ILE 80 Cb 0.76 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2ka5 h ILE 80 CO -0.13 0.04 0.00 -1.20 0.00 0.00 0.00 178.15 176.86 2ka5 n SER 81 N -5.09 0.62 -0.03 1.72 7.64 0.45 -0.94 113.62 117.99 2ka5 n SER 81 Ca 0.02 0.66 -0.21 0.00 1.01 0.00 0.00 58.87 60.35 2ka5 n SER 81 Cb 0.16 -0.79 -0.13 0.00 -1.01 0.00 0.00 64.21 62.44 2ka5 n SER 81 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2ka5 h SER 82 N 0.00 0.27 0.55 6.43 0.02 -0.70 -3.41 113.55 116.71 2ka5 h SER 82 Ca 0.00 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2ka5 h SER 82 Cb 0.32 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2ka5 h SER 82 CO 0.00 1.59 0.00 0.28 -1.14 0.00 0.00 176.83 177.56 2ka5 h SER 83 N -0.46 0.00 0.00 3.07 0.02 0.25 -3.46 113.55 112.97 2ka5 h SER 83 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2ka5 h SER 83 Cb 1.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.19 2ka5 h SER 83 CO -0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 2ka5 n GLY 84 N -0.44 0.71 0.00 -3.77 0.00 -0.30 -5.04 105.19 96.35 2ka5 n GLY 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 5.09 3.19 -0.02 0.00 -0.12 -5.01 105.19 108.33 2ka5 n GLY 85 Ca 0.00 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.74 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 0.26 1.18 0.00 1.61 0.40 -0.80 -4.28 117.98 116.35 2ka5 s PHE 86 Ca 0.00 -0.60 0.07 0.00 -0.60 0.00 0.00 56.93 55.80 2ka5 s PHE 86 Cb 0.00 -0.64 -0.02 0.00 0.51 0.00 0.00 43.02 42.87 2ka5 s PHE 86 CO 0.00 0.05 -0.21 0.12 0.70 0.00 0.00 175.22 175.88 2ka5 s PHE 87 N -2.19 1.90 0.18 0.36 5.36 -1.26 -3.38 117.98 118.94 2ka5 s PHE 87 Ca 0.05 -0.36 -0.06 0.00 -0.96 0.00 0.00 56.93 55.60 2ka5 s PHE 87 Cb -0.04 -1.19 -0.02 0.00 -0.34 0.00 0.00 43.02 41.42 2ka5 s PHE 87 CO 0.01 0.01 0.22 0.00 -1.46 0.00 0.00 175.22 174.00 2ka5 s ALA 88 N -0.59 0.48 0.27 11.12 0.00 -1.11 -2.48 121.76 129.45 2ka5 s ALA 88 Ca 0.08 -1.24 0.11 0.00 0.00 0.00 0.00 51.96 50.92 2ka5 s ALA 88 Cb -0.08 1.03 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 2ka5 s ALA 88 CO 0.00 -0.62 -0.19 -0.51 0.00 0.00 0.00 175.76 174.43 2ka5 s LEU 89 N -3.04 2.59 -0.01 0.00 1.43 -0.19 -1.97 118.68 117.47 2ka5 s LEU 89 Ca 0.25 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2ka5 s LEU 89 Cb 0.05 -1.04 -0.00 0.00 0.03 0.00 0.00 46.19 45.22 2ka5 s LEU 89 CO 0.05 0.01 -0.07 -0.69 0.23 0.00 0.00 176.35 175.88 2ka5 s VAL 90 N -2.57 0.58 -1.06 -1.59 1.01 -0.01 -0.58 120.40 116.17 2ka5 s VAL 90 Ca 0.29 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2ka5 s VAL 90 Cb -0.04 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 2ka5 s VAL 90 CO 0.14 0.18 0.90 -1.20 0.00 0.00 0.00 175.10 175.11 2ka5 n SER 91 N 3.08 -6.49 -4.52 3.32 7.64 -0.60 -0.75 113.62 115.30 2ka5 n SER 91 Ca -0.15 -0.74 -0.42 0.00 1.01 0.00 0.00 58.87 58.57 2ka5 n SER 91 Cb 0.56 -4.94 -0.03 0.00 -1.01 0.00 0.00 64.21 58.79 2ka5 n SER 91 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ka5 s PRO 92 N -4.60 3.21 1.11 1.43 0.04 -1.26 -3.91 135.00 131.02 2ka5 s PRO 92 Ca 0.45 -0.36 -0.13 0.00 0.04 0.00 0.00 61.00 61.00 2ka5 s PRO 92 Cb -0.08 -4.17 0.25 0.00 0.04 0.00 0.00 34.50 30.55 2ka5 s PRO 92 CO 0.76 -1.96 1.06 -0.80 0.04 0.00 0.00 177.00 176.09 2ka5 s ASN 93 N 3.58 1.57 0.28 6.66 0.01 -1.26 -4.74 114.94 121.04 2ka5 s ASN 93 Ca 0.32 1.26 0.10 0.00 -0.71 0.00 0.00 52.86 53.84 2ka5 s ASN 93 Cb -0.11 -1.97 0.37 0.00 0.41 0.00 0.00 41.25 39.95 2ka5 s ASN 93 CO 0.15 -3.80 1.62 -0.08 -1.51 0.00 0.00 177.10 173.48 2ka5 h GLU 94 N -2.35 0.00 -0.46 -0.60 4.81 -1.98 -0.74 114.58 113.27 2ka5 h GLU 94 Ca -0.58 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.68 2ka5 h GLU 94 Cb 1.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 2ka5 h GLU 94 CO 0.53 0.61 0.26 -0.22 -0.73 0.00 0.00 179.01 179.46 2ka5 h LYS 95 N 0.00 0.50 0.15 1.92 1.63 -1.92 -1.33 116.57 117.52 2ka5 h LYS 95 Ca -0.01 -0.03 -0.29 0.00 -0.85 0.00 0.00 60.65 59.47 2ka5 h LYS 95 Cb 1.08 -0.11 0.02 0.00 -0.60 0.00 0.00 32.23 32.62 2ka5 h LYS 95 CO 0.08 0.33 -1.27 -0.39 -3.45 0.00 0.00 179.45 174.75 2ka5 h VAL 96 N 0.51 1.39 -0.41 2.00 -1.51 -1.70 -3.25 116.25 113.28 2ka5 h VAL 96 Ca 0.19 -2.78 0.10 0.00 -1.23 0.00 0.00 66.70 62.98 2ka5 h VAL 96 Cb 0.05 2.86 -0.02 0.00 -2.13 0.00 0.00 31.29 32.05 2ka5 h VAL 96 CO -0.10 0.83 0.29 -0.33 -1.23 0.00 0.00 177.57 177.02 2ka5 h GLU 97 N 0.15 0.07 -0.71 5.19 4.39 -0.84 0.35 114.58 123.18 2ka5 h GLU 97 Ca -0.17 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 2ka5 h GLU 97 Cb 1.97 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.57 2ka5 h GLU 97 CO 0.22 0.05 0.30 0.07 -1.16 0.00 0.00 179.01 178.50 2ka5 h ARG 98 N 0.07 1.03 0.00 2.33 -0.00 -1.28 -2.96 114.38 113.58 2ka5 h ARG 98 Ca 0.19 -0.16 -0.28 0.00 -0.00 0.00 0.00 59.98 59.73 2ka5 h ARG 98 Cb 0.67 -0.18 -0.05 0.00 -0.00 0.00 0.00 29.97 30.41 2ka5 h ARG 98 CO -0.02 0.82 -2.02 1.55 -0.00 0.00 0.00 179.97 180.31 2ka5 n VAL 99 N -4.31 1.29 0.31 0.08 3.14 0.37 -3.84 118.33 115.37 2ka5 n VAL 99 Ca 0.06 -0.78 0.13 0.00 -2.96 0.00 0.00 64.34 60.79 2ka5 n VAL 99 Cb 0.16 -0.62 0.57 0.00 -1.06 0.00 0.00 33.84 32.90 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 0.00 0.00 0.00 6.55 3.38 -0.41 0.37 115.31 125.20 2ka5 h LEU 100 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2ka5 h LEU 100 Cb 1.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 2ka5 h LEU 100 CO 0.04 0.00 -0.04 0.28 0.09 0.00 0.00 178.44 178.81 2ka5 h SER 101 N 0.00 0.00 -0.41 -0.43 0.02 -1.63 0.14 113.55 111.23 2ka5 h SER 101 Ca 0.00 -0.46 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 2ka5 h SER 101 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2ka5 h SER 101 CO 0.00 0.75 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.37 2ka5 h LEU 102 N -1.00 0.72 0.00 5.07 -0.00 -1.37 -0.12 115.31 118.61 2ka5 h LEU 102 Ca -0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2ka5 h LEU 102 Cb 0.49 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2ka5 h LEU 102 CO -0.01 0.85 0.00 1.07 -0.00 0.00 0.00 178.44 180.36 2ka5 n THR 103 N -4.42 0.23 -3.02 0.22 5.66 0.01 -4.95 114.28 108.00 2ka5 n THR 103 Ca -0.01 0.06 -0.13 0.00 -3.05 0.00 0.00 64.05 60.92 2ka5 n THR 103 Cb 0.30 -0.65 0.01 0.00 -1.55 0.00 0.00 70.33 68.44 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 -1.32 -7.21 0.00 1.09 5.03 -0.06 -5.06 115.26 107.74 2ka5 n ASN 104 Ca 0.11 0.56 0.00 0.00 0.87 0.00 0.00 54.58 56.12 2ka5 n ASN 104 Cb 0.21 -3.99 0.00 0.00 -1.02 0.00 0.00 39.78 34.98 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2ka5 n LEU 105 N 0.16 0.00 0.29 3.41 -0.00 0.41 -4.62 117.00 116.65 2ka5 n LEU 105 Ca 0.03 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.19 2ka5 n LEU 105 Cb 0.42 -0.11 0.89 0.00 -0.00 0.00 0.00 43.42 44.62 2ka5 n LEU 105 CO 0.43 -0.35 1.08 -0.78 -0.00 0.00 0.00 177.39 177.77 2ka5 h ASP 106 N 0.00 0.00 0.00 1.96 3.58 -1.64 0.12 116.42 120.44 2ka5 h ASP 106 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ka5 h ASP 106 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ka5 h ASP 106 CO 0.00 0.04 0.00 0.54 -2.88 0.00 0.00 179.24 176.94 2ka5 n ARG 107 N -3.69 0.76 0.00 0.28 1.74 -1.25 -3.08 116.66 111.43 2ka5 n ARG 107 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2ka5 n ARG 107 Cb 0.13 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.70 0.00 -2.94 0.55 5.41 -0.03 -5.05 119.36 116.60 2ka5 n ILE 108 Ca 0.07 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.62 2ka5 n ILE 108 Cb 0.03 -0.52 0.07 0.00 -0.71 0.00 0.00 39.64 38.52 2ka5 n ILE 108 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2ka5 s VAL 109 N -1.69 2.12 0.30 1.39 -7.23 0.22 -5.07 120.40 110.45 2ka5 s VAL 109 Ca 0.00 -0.91 0.06 0.00 -1.81 0.00 0.00 61.98 59.31 2ka5 s VAL 109 Cb 0.00 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 2ka5 s VAL 109 CO 0.00 0.00 0.44 -0.54 -0.31 0.00 0.00 175.10 174.69 2ka5 s LYS 110 N -4.78 3.26 -0.16 4.82 -0.14 -1.03 -4.72 119.74 116.98 2ka5 s LYS 110 Ca 0.63 -0.87 -0.12 0.00 -1.36 0.00 0.00 55.97 54.25 2ka5 s LYS 110 Cb -0.05 -2.83 0.05 0.00 -1.68 0.00 0.00 37.83 33.31 2ka5 s LYS 110 CO 0.40 0.20 0.40 -1.50 -0.76 0.00 0.00 175.35 174.09 2ka5 s ILE 111 N -2.11 -0.01 0.18 2.17 1.10 -1.26 -1.03 121.20 120.24 2ka5 s ILE 111 Ca 0.41 0.03 -0.06 0.00 -0.51 0.00 0.00 60.65 60.52 2ka5 s ILE 111 Cb -0.09 -0.57 -0.02 0.00 0.15 0.00 0.00 42.46 41.92 2ka5 s ILE 111 CO 0.31 0.01 0.23 -0.31 -2.11 0.00 0.00 174.94 173.08 2ka5 s TYR 112 N 0.63 0.66 -0.05 3.50 2.02 0.25 -4.90 117.35 119.46 2ka5 s TYR 112 Ca -0.03 -0.99 -0.08 0.00 -0.37 0.00 0.00 57.07 55.60 2ka5 s TYR 112 Cb -0.05 -0.21 -0.29 0.00 -0.40 0.00 0.00 41.96 41.01 2ka5 s TYR 112 CO -0.04 -0.71 0.66 0.22 -1.57 0.00 0.00 175.55 174.12 2ka5 h ASP 113 N 2.58 0.51 -4.42 2.29 1.82 -1.87 -1.60 116.42 115.74 2ka5 h ASP 113 Ca -0.32 -0.82 -0.49 0.00 -0.39 0.00 0.00 57.03 55.01 2ka5 h ASP 113 Cb 1.23 -0.17 -0.13 0.00 0.68 0.00 0.00 39.33 40.94 2ka5 h ASP 113 CO 0.49 1.70 -0.52 0.42 -1.61 0.00 0.00 179.24 179.72 2ka5 s THR 114 N -2.58 0.34 0.12 2.25 -4.23 -1.26 -3.69 115.64 106.58 2ka5 s THR 114 Ca -0.15 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.24 2ka5 s THR 114 Cb 0.06 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.37 2ka5 s THR 114 CO 0.84 0.00 1.40 0.40 -0.54 0.00 0.00 174.62 176.72 2ka5 h ILE 115 N 2.02 1.28 -0.09 2.99 1.08 -1.97 -3.09 117.51 119.72 2ka5 h ILE 115 Ca -0.32 -1.70 -0.12 0.00 -0.39 0.00 0.00 64.86 62.33 2ka5 h ILE 115 Cb 1.25 1.65 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 2ka5 h ILE 115 CO 0.49 0.55 -0.50 -1.28 -0.69 0.00 0.00 178.15 176.73 2ka5 h SER 116 N 0.62 0.26 0.00 1.72 0.87 -1.99 0.33 113.55 115.36 2ka5 h SER 116 Ca 0.02 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2ka5 h SER 116 Cb 1.12 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2ka5 h SER 116 CO 0.11 0.72 0.00 -0.62 -0.53 0.00 0.00 176.83 176.51 2ka5 n GLU 117 N -3.96 0.54 -0.02 2.24 1.02 -1.22 -2.96 120.64 116.28 2ka5 n GLU 117 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 2ka5 n GLU 117 Cb 0.54 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.97 1.90 0.24 0.62 0.00 -0.28 -4.56 120.51 117.46 2ka5 n ALA 118 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 2ka5 n ALA 118 Cb 0.06 0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 2ka5 n ALA 118 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2ka5 h MET 119 N 0.00 -0.57 0.00 0.00 4.05 -0.31 0.10 114.93 118.20 2ka5 h MET 119 Ca -0.10 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2ka5 h MET 119 Cb 1.18 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2ka5 h MET 119 CO -0.01 -0.29 -0.15 1.05 0.23 0.00 0.00 176.91 177.74 2ka5 h GLU 120 N -0.77 0.00 0.03 0.39 4.11 -1.84 -3.40 114.58 113.09 2ka5 h GLU 120 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 2ka5 h GLU 120 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2ka5 h GLU 120 CO 0.10 0.00 -0.19 1.49 0.07 0.00 0.00 179.01 180.48 2ka5 h GLU 121 N 0.00 0.05 -1.00 1.06 4.57 -1.48 -3.16 114.58 114.63 2ka5 h GLU 121 Ca 0.00 -0.09 0.36 0.00 -1.18 0.00 0.00 59.36 58.45 2ka5 h GLU 121 Cb 0.94 0.03 -0.17 0.00 -0.16 0.00 0.00 28.75 29.40 2ka5 h GLU 121 CO 0.00 1.04 0.52 -0.24 -1.18 0.00 0.00 179.01 179.15 2ka5 h VAL 122 N -0.89 0.14 -0.48 0.32 3.04 -1.06 0.36 116.25 117.69 2ka5 h VAL 122 Ca -0.04 -0.05 0.03 0.00 -1.01 0.00 0.00 66.70 65.64 2ka5 h VAL 122 Cb 1.12 -0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.35 2ka5 h VAL 122 CO 0.02 0.03 0.26 0.03 -1.01 0.00 0.00 177.57 176.90 2ka5 h ARG 123 N 0.15 0.50 -0.23 4.17 3.08 -1.78 -3.34 114.38 116.93 2ka5 h ARG 123 Ca 0.78 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 60.58 2ka5 h ARG 123 Cb 1.91 -0.11 -0.35 0.00 0.08 0.00 0.00 29.97 31.50 2ka5 h ARG 123 CO -0.70 0.33 -0.97 2.89 -1.07 0.00 0.00 179.97 180.45 2ka5 n ARG 124 N -4.86 1.22 0.00 0.04 1.85 0.17 -5.18 116.66 109.90 2ka5 n ARG 124 Ca 0.03 -2.95 0.00 0.00 -1.00 0.00 0.00 57.85 53.94 2ka5 n ARG 124 Cb 0.10 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98