#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 1.31 3.61 -5.12 0.00 -1.26 -4.76 105.19 98.98 2ka5 n GLY 2 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2ka5 n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ka5 s SER 3 N -0.97 2.30 -0.85 1.61 0.15 -1.26 -4.45 113.70 110.22 2ka5 s SER 3 Ca 0.00 1.74 -0.03 0.00 0.70 0.00 0.00 55.95 58.35 2ka5 s SER 3 Cb 0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2ka5 s SER 3 CO 0.00 -3.42 0.63 0.47 1.20 0.00 0.00 173.24 172.12 2ka5 n ASP 4 N -4.41 -5.19 -0.09 5.45 9.92 -1.26 -4.93 116.55 116.03 2ka5 n ASP 4 Ca 0.07 -0.88 -0.15 0.00 -0.53 0.00 0.00 54.79 53.30 2ka5 n ASP 4 Cb 0.54 -2.19 -0.14 0.00 -0.64 0.00 0.00 41.12 38.69 2ka5 n ASP 4 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2ka5 n LYS 5 N -2.74 0.68 -1.23 -1.24 0.00 -1.26 -4.11 118.16 108.25 2ka5 n LYS 5 Ca -0.26 0.13 0.00 0.00 0.00 0.00 0.00 58.31 58.18 2ka5 n LYS 5 Cb 0.66 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 34.12 2ka5 n LYS 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2ka5 n ILE 6 N -3.13 -0.50 -1.61 3.15 2.08 -1.26 -4.78 119.36 113.31 2ka5 n ILE 6 Ca -0.38 0.08 -0.39 0.00 0.56 0.00 0.00 62.75 62.62 2ka5 n ILE 6 Cb 1.05 -0.95 -0.03 0.00 -0.75 0.00 0.00 39.64 38.97 2ka5 n ILE 6 CO 0.00 0.00 0.00 -1.38 0.56 0.00 0.00 176.55 175.73 2ka5 s HIS 7 N -0.16 1.16 0.27 1.39 -3.43 -1.26 -4.95 115.29 108.30 2ka5 s HIS 7 Ca 0.00 1.14 -0.30 0.00 -0.80 0.00 0.00 55.06 55.10 2ka5 s HIS 7 Cb 0.00 -3.74 -0.13 0.00 -1.43 0.00 0.00 32.58 27.28 2ka5 s HIS 7 CO 0.00 -3.08 1.46 0.72 -2.00 0.00 0.00 174.74 171.84 2ka5 n HIS 8 N 14.11 2.41 -4.34 0.38 -0.00 -1.26 -5.02 115.22 121.49 2ka5 n HIS 8 Ca 0.33 0.38 -0.21 0.00 -0.00 0.00 0.00 57.72 58.22 2ka5 n HIS 8 Cb 0.51 -2.50 -0.08 0.00 -0.00 0.00 0.00 29.99 27.92 2ka5 n HIS 8 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ka5 s HIS 9 N -0.14 1.80 -1.39 4.41 3.76 -1.26 -4.95 115.29 117.51 2ka5 s HIS 9 Ca 0.65 -1.62 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 2ka5 s HIS 9 Cb -0.59 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 32.29 2ka5 s HIS 9 CO 0.51 -0.78 0.00 1.58 -0.85 0.00 0.00 174.74 175.19 2ka5 n HIS 10 N -0.71 -0.57 -2.02 1.40 -0.00 -1.26 -4.92 115.22 107.13 2ka5 n HIS 10 Ca 0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.51 2ka5 n HIS 10 Cb 0.63 -3.09 -0.05 0.00 -0.00 0.00 0.00 29.99 27.47 2ka5 n HIS 10 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ka5 s HIS 11 N -2.73 1.77 -0.44 1.57 2.46 -1.26 -4.82 115.29 111.85 2ka5 s HIS 11 Ca 0.00 0.72 0.05 0.00 0.47 0.00 0.00 55.06 56.30 2ka5 s HIS 11 Cb 0.00 -4.00 0.17 0.00 -0.13 0.00 0.00 32.58 28.63 2ka5 s HIS 11 CO 0.00 -1.68 0.51 -1.01 -2.47 0.00 0.00 174.74 170.08 2ka5 s HIS 12 N 10.50 -0.47 -0.22 3.88 3.76 -1.26 -5.11 115.29 126.37 2ka5 s HIS 12 Ca 0.71 -1.09 -0.13 0.00 -0.15 0.00 0.00 55.06 54.41 2ka5 s HIS 12 Cb -0.07 -0.24 0.07 0.00 1.11 0.00 0.00 32.58 33.45 2ka5 s HIS 12 CO 0.01 -1.05 0.55 -1.64 -0.85 0.00 0.00 174.74 171.75 2ka5 s MET 13 N 0.86 0.55 -0.75 1.40 -1.94 -1.26 -5.12 119.30 113.04 2ka5 s MET 13 Ca 0.26 1.00 -0.03 0.00 -1.71 0.00 0.00 55.69 55.21 2ka5 s MET 13 Cb -0.04 0.06 0.19 0.00 2.01 0.00 0.00 34.83 37.05 2ka5 s MET 13 CO -0.09 -0.15 0.60 -0.59 -0.01 0.00 0.00 175.02 174.77 2ka5 s PHE 14 N 1.51 3.61 -0.14 -0.03 -0.71 -1.26 -4.95 117.98 116.01 2ka5 s PHE 14 Ca -0.10 -2.80 -0.05 0.00 -1.04 0.00 0.00 56.93 52.95 2ka5 s PHE 14 Cb -0.07 -3.25 -0.20 0.00 -1.21 0.00 0.00 43.02 38.29 2ka5 s PHE 14 CO -0.16 -0.81 2.99 -0.35 -1.34 0.00 0.00 175.22 175.55 2ka5 n PRO 15 N 3.05 1.77 -3.73 1.99 -0.04 -1.26 -4.80 135.00 131.98 2ka5 n PRO 15 Ca 0.14 -0.93 -0.09 0.00 -0.04 0.00 0.00 63.50 62.58 2ka5 n PRO 15 Cb 0.38 -1.99 -0.02 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.52 -0.29 0.25 0.54 1.13 -1.25 -1.93 117.35 117.33 2ka5 s TYR 16 Ca 0.55 -0.10 0.01 0.00 -1.41 0.00 0.00 57.07 56.12 2ka5 s TYR 16 Cb 0.25 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.71 2ka5 s TYR 16 CO -0.01 -1.12 0.11 -1.59 -2.51 0.00 0.00 175.55 170.43 2ka5 s LYS 17 N -3.87 1.39 -0.03 -3.49 -2.85 0.40 -4.83 119.74 106.46 2ka5 s LYS 17 Ca 0.08 -1.75 0.07 0.00 -1.00 0.00 0.00 55.97 53.37 2ka5 s LYS 17 Cb -0.04 -0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.55 2ka5 s LYS 17 CO 0.01 -0.32 -0.25 0.42 0.10 0.00 0.00 175.35 175.31 2ka5 s ILE 18 N -3.81 1.98 0.21 3.79 1.01 -1.26 -1.52 121.20 121.60 2ka5 s ILE 18 Ca 0.38 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2ka5 s ILE 18 Cb 0.08 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 2ka5 s ILE 18 CO 0.14 0.56 -0.02 -0.69 0.00 0.00 0.00 174.94 174.93 2ka5 s VAL 19 N -0.43 0.99 0.03 2.92 1.01 0.03 -4.98 120.40 119.97 2ka5 s VAL 19 Ca 0.05 -2.03 -0.05 0.00 0.00 0.00 0.00 61.98 59.95 2ka5 s VAL 19 Cb -0.11 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2ka5 s VAL 19 CO 0.01 -0.40 0.34 0.47 0.00 0.00 0.00 175.10 175.52 2ka5 n ASP 20 N -0.36 -0.18 -2.83 3.32 8.00 -1.26 -1.11 116.55 122.13 2ka5 n ASP 20 Ca -0.06 0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.71 2ka5 n ASP 20 Cb 0.63 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.69 2ka5 n ASP 20 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2ka5 n ASP 21 N -3.63 0.25 -4.01 -2.24 5.75 -1.26 -5.11 116.55 106.30 2ka5 n ASP 21 Ca 0.00 -2.87 -0.08 0.00 -0.01 0.00 0.00 54.79 51.83 2ka5 n ASP 21 Cb 0.04 -0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.96 0.14 -0.07 2.12 1.01 -0.27 -4.56 120.40 116.81 2ka5 s VAL 22 Ca 0.29 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2ka5 s VAL 22 Cb 0.40 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2ka5 s VAL 22 CO -0.03 -0.63 -0.10 -0.69 0.00 0.00 0.00 175.10 173.65 2ka5 s VAL 23 N -2.12 3.44 -0.30 2.92 1.01 -0.50 -0.79 120.40 124.05 2ka5 s VAL 23 Ca -0.10 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2ka5 s VAL 23 Cb -0.05 -2.39 0.07 0.00 0.00 0.00 0.00 36.38 34.01 2ka5 s VAL 23 CO -0.03 0.58 -0.01 -0.63 0.00 0.00 0.00 175.10 175.01 2ka5 s ILE 24 N -0.61 2.46 -1.52 2.22 1.09 -0.58 -0.41 121.20 123.86 2ka5 s ILE 24 Ca 0.09 -1.83 -0.10 0.00 -1.10 0.00 0.00 60.65 57.70 2ka5 s ILE 24 Cb -0.11 -2.57 -0.01 0.00 -1.06 0.00 0.00 42.46 38.70 2ka5 s ILE 24 CO 0.02 -0.27 2.63 0.18 -0.10 0.00 0.00 174.94 177.39 2ka5 n LEU 25 N 4.43 8.07 -4.55 2.97 4.32 -0.08 -0.45 117.00 131.71 2ka5 n LEU 25 Ca -0.08 -4.41 -0.32 0.00 -0.02 0.00 0.00 56.01 51.18 2ka5 n LEU 25 Cb 0.42 -1.55 -0.04 0.00 -1.62 0.00 0.00 43.42 40.64 2ka5 n LEU 25 CO 0.23 1.79 1.90 -0.04 -1.22 0.00 0.00 177.39 180.06 2ka5 s MET 26 N 1.80 2.00 0.04 3.23 -1.94 -0.81 -4.57 119.30 119.05 2ka5 s MET 26 Ca 0.60 1.27 -0.22 0.00 -1.71 0.00 0.00 55.69 55.63 2ka5 s MET 26 Cb 0.17 -4.62 -0.14 0.00 2.01 0.00 0.00 34.83 32.24 2ka5 s MET 26 CO -0.07 -3.49 1.39 -1.00 -0.01 0.00 0.00 175.02 171.85 2ka5 h PRO 27 N 18.57 0.26 -6.65 2.03 0.13 -1.74 -3.34 132.00 141.26 2ka5 h PRO 27 Ca -0.20 -0.11 -0.34 0.00 -0.87 0.00 0.00 66.00 64.47 2ka5 h PRO 27 Cb 1.23 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2ka5 h PRO 27 CO 1.13 0.59 -0.56 0.27 -0.23 0.00 0.00 178.00 179.21 2ka5 n ASN 28 N -4.69 -0.78 -0.16 1.44 2.04 -1.26 -0.50 115.26 111.34 2ka5 n ASN 28 Ca -0.06 -0.73 -0.02 0.00 -0.44 0.00 0.00 54.58 53.33 2ka5 n ASN 28 Cb 0.28 -0.89 -0.01 0.00 -2.53 0.00 0.00 39.78 36.64 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 -3.14 -0.13 -3.37 -3.83 4.01 -1.26 -4.97 118.16 105.46 2ka5 n LYS 29 Ca -0.13 0.43 -0.28 0.00 -0.51 0.00 0.00 58.31 57.82 2ka5 n LYS 29 Cb 0.36 -4.02 -0.07 0.00 -0.51 0.00 0.00 35.03 30.79 2ka5 n LYS 29 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2ka5 n GLU 30 N -2.46 2.72 -0.30 1.97 1.02 0.34 -4.78 120.64 119.16 2ka5 n GLU 30 Ca -0.02 -4.67 0.05 0.00 -0.02 0.00 0.00 57.16 52.50 2ka5 n GLU 30 Cb 0.19 -2.28 0.07 0.00 -0.02 0.00 0.00 31.44 29.40 2ka5 n GLU 30 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ka5 n LEU 31 N 0.85 1.23 -4.56 -4.62 4.77 -1.26 -4.84 117.00 108.57 2ka5 n LEU 31 Ca 0.30 -2.10 -0.43 0.00 -0.03 0.00 0.00 56.01 53.75 2ka5 n LEU 31 Cb 0.40 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2ka5 n LEU 31 CO 0.44 0.50 0.43 0.59 -1.33 0.00 0.00 177.39 178.02 2ka5 n ASN 32 N -0.73 0.66 -0.16 -1.43 3.02 -1.26 -4.55 115.26 110.81 2ka5 n ASN 32 Ca 0.08 1.07 -0.03 0.00 -0.03 0.00 0.00 54.58 55.67 2ka5 n ASN 32 Cb 0.68 -1.25 0.06 0.00 -0.61 0.00 0.00 39.78 38.66 2ka5 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2ka5 h ILE 33 N 1.52 0.83 -0.01 2.41 2.04 -1.99 0.27 117.51 122.58 2ka5 h ILE 33 Ca -0.41 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2ka5 h ILE 33 Cb 1.36 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2ka5 h ILE 33 CO 0.57 0.06 0.00 -0.62 0.00 0.00 0.00 178.15 178.16 2ka5 n GLU 34 N -5.01 1.04 -0.08 2.37 1.02 -1.26 -0.59 120.64 118.14 2ka5 n GLU 34 Ca 0.05 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2ka5 n GLU 34 Cb 0.20 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 2ka5 n GLU 34 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2ka5 h ASN 35 N 0.14 0.00 -0.94 1.62 -1.24 -1.55 -3.42 115.58 110.19 2ka5 h ASN 35 Ca 0.00 -0.15 0.25 0.00 0.71 0.00 0.00 56.30 57.11 2ka5 h ASN 35 Cb 0.03 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.03 2ka5 h ASN 35 CO 0.00 0.95 0.65 0.00 -1.29 0.00 0.00 177.43 177.74 2ka5 h ALA 36 N -0.85 2.60 0.21 1.57 0.00 0.58 0.12 119.26 123.50 2ka5 h ALA 36 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2ka5 h ALA 36 Cb 0.71 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ka5 h ALA 36 CO -0.06 -0.89 -0.10 1.25 0.00 0.00 0.00 179.25 179.44 2ka5 h HIS 37 N 0.17 -0.26 0.00 0.00 -0.00 -1.11 -3.26 115.15 110.69 2ka5 h HIS 37 Ca 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.84 2ka5 h HIS 37 Cb 1.57 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 29.07 2ka5 h HIS 37 CO -0.00 0.07 -0.07 1.47 -0.00 0.00 0.00 177.93 179.40 2ka5 n LEU 38 N -5.06 0.26 -0.30 0.26 -0.00 -0.48 -4.32 117.00 107.36 2ka5 n LEU 38 Ca -0.09 0.46 -0.05 0.00 -0.00 0.00 0.00 56.01 56.33 2ka5 n LEU 38 Cb 0.24 -0.42 -0.03 0.00 -0.00 0.00 0.00 43.42 43.21 2ka5 n LEU 38 CO 0.31 -0.03 0.39 0.33 -0.00 0.00 0.00 177.39 178.39 2ka5 n PHE 39 N -1.70 -0.17 -0.01 1.47 7.35 0.30 -0.61 117.46 124.10 2ka5 n PHE 39 Ca 0.06 0.92 -0.11 0.00 -0.76 0.00 0.00 57.45 57.56 2ka5 n PHE 39 Cb 0.36 -0.66 -0.06 0.00 0.35 0.00 0.00 39.48 39.48 2ka5 n PHE 39 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2ka5 h LYS 40 N 0.00 0.14 -0.43 -4.13 3.64 -1.79 0.14 116.57 114.13 2ka5 h LYS 40 Ca 0.18 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2ka5 h LYS 40 Cb 0.37 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 2ka5 h LYS 40 CO -0.71 0.14 0.22 -0.22 -2.27 0.00 0.00 179.45 176.61 2ka5 h LYS 41 N 0.09 0.43 0.62 1.90 3.11 -1.15 0.24 116.57 121.82 2ka5 h LYS 41 Ca 0.04 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 2ka5 h LYS 41 Cb 0.04 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 2ka5 h LYS 41 CO -0.01 0.29 -0.45 2.35 -2.81 0.00 0.00 179.45 178.82 2ka5 h TRP 42 N 0.45 -1.23 -0.85 1.91 7.01 -0.93 -1.18 115.95 121.13 2ka5 h TRP 42 Ca 0.19 -0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.39 2ka5 h TRP 42 Cb 0.08 0.46 -0.05 0.00 -2.10 0.00 0.00 29.16 27.55 2ka5 h TRP 42 CO -0.10 -0.65 0.58 0.28 -2.79 0.00 0.00 178.44 175.76 2ka5 h VAL 43 N -1.03 0.66 0.03 2.65 2.07 -0.39 0.19 116.25 120.45 2ka5 h VAL 43 Ca -0.08 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2ka5 h VAL 43 Cb 0.85 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2ka5 h VAL 43 CO 0.03 0.05 -0.02 -0.26 0.02 0.00 0.00 177.57 177.39 2ka5 h PHE 44 N 0.25 -0.04 0.00 1.57 -1.00 -0.30 -2.76 116.94 114.67 2ka5 h PHE 44 Ca 0.43 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.20 2ka5 h PHE 44 Cb 1.27 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.84 2ka5 h PHE 44 CO -0.00 -0.03 -0.00 -0.25 -1.61 0.00 0.00 178.31 176.42 2ka5 n ASP 45 N -2.15 0.23 0.02 2.17 9.92 -0.47 -0.81 116.55 125.47 2ka5 n ASP 45 Ca -0.01 0.52 -0.04 0.00 -0.53 0.00 0.00 54.79 54.73 2ka5 n ASP 45 Cb 0.02 -0.58 -0.10 0.00 -0.64 0.00 0.00 41.12 39.82 2ka5 n ASP 45 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2ka5 h GLU 46 N 0.00 0.00 0.00 -1.24 4.57 -0.80 -3.41 114.58 113.69 2ka5 h GLU 46 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2ka5 h GLU 46 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2ka5 h GLU 46 CO 0.00 0.45 0.00 1.19 -1.18 0.00 0.00 179.01 179.47 2ka5 n PHE 47 N -3.02 -1.20 -0.10 0.92 3.72 -1.08 -4.65 117.46 112.05 2ka5 n PHE 47 Ca -0.11 0.21 -0.09 0.00 -0.05 0.00 0.00 57.45 57.42 2ka5 n PHE 47 Cb 0.93 0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 39.88 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 -1.15 -0.65 4.37 3.38 -0.86 -0.94 115.31 119.47 2ka5 h LEU 48 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2ka5 h LEU 48 Cb 0.00 0.52 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2ka5 h LEU 48 CO 0.00 -0.34 0.00 0.59 0.09 0.00 0.00 178.44 178.78 2ka5 n ASN 49 N -5.42 0.99 -0.70 -0.43 3.02 0.01 -2.95 115.26 109.80 2ka5 n ASN 49 Ca -0.00 -1.43 0.11 0.00 -0.03 0.00 0.00 54.58 53.23 2ka5 n ASN 49 Cb 0.34 -0.03 0.34 0.00 -0.61 0.00 0.00 39.78 39.82 2ka5 n ASN 49 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2ka5 n LYS 50 N -0.19 1.92 -2.65 3.52 4.81 -0.39 -4.96 118.16 120.22 2ka5 n LYS 50 Ca 0.19 -1.38 -0.04 0.00 -0.87 0.00 0.00 58.31 56.21 2ka5 n LYS 50 Cb 0.25 -1.43 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 1.17 0.00 0.00 177.40 178.98 2ka5 n GLY 51 N 1.23 0.73 3.76 3.14 0.00 -1.15 -4.98 105.19 107.92 2ka5 n GLY 51 Ca 0.17 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.05 2.74 0.00 1.61 2.02 -0.99 -5.07 117.35 114.62 2ka5 s TYR 52 Ca 0.09 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2ka5 s TYR 52 Cb -0.04 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2ka5 s TYR 52 CO 0.11 0.27 0.18 0.09 -1.57 0.00 0.00 175.55 174.63 2ka5 n ASN 53 N -1.22 0.00 -3.80 2.29 5.03 -1.26 -4.50 115.26 111.80 2ka5 n ASN 53 Ca -0.02 -1.00 -0.14 0.00 0.87 0.00 0.00 54.58 54.29 2ka5 n ASN 53 Cb 0.61 0.00 -0.15 0.00 -1.02 0.00 0.00 39.78 39.22 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 0.00 -0.01 0.05 3.52 1.02 -1.26 -1.45 119.74 121.61 2ka5 s LYS 54 Ca 0.00 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.18 2ka5 s LYS 54 Cb 0.00 -0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.12 2ka5 s LYS 54 CO 0.00 -0.12 -0.11 0.42 -0.92 0.00 0.00 175.35 174.63 2ka5 s ILE 55 N 0.75 0.79 0.04 2.17 1.09 -1.21 -1.41 121.20 123.42 2ka5 s ILE 55 Ca -0.06 -1.17 0.02 0.00 -1.10 0.00 0.00 60.65 58.34 2ka5 s ILE 55 Cb -0.09 -0.81 -0.02 0.00 -1.06 0.00 0.00 42.46 40.48 2ka5 s ILE 55 CO -0.02 -0.31 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.08 2ka5 s PHE 56 N -1.32 0.66 -0.73 3.97 0.08 0.45 -2.87 117.98 118.22 2ka5 s PHE 56 Ca -0.06 -0.52 0.04 0.00 0.12 0.00 0.00 56.93 56.51 2ka5 s PHE 56 Cb -0.10 -0.39 0.19 0.00 -0.57 0.00 0.00 43.02 42.15 2ka5 s PHE 56 CO 0.01 -0.09 0.60 -0.11 -0.10 0.00 0.00 175.22 175.52 2ka5 n LEU 57 N 1.40 3.38 -4.56 -0.37 7.94 -0.53 -0.90 117.00 123.35 2ka5 n LEU 57 Ca -0.22 -5.24 -0.38 0.00 -1.11 0.00 0.00 56.01 49.06 2ka5 n LEU 57 Cb 0.55 -0.80 -0.03 0.00 0.53 0.00 0.00 43.42 43.67 2ka5 n LEU 57 CO 0.21 1.78 1.99 -0.69 -1.11 0.00 0.00 177.39 179.56 2ka5 s VAL 58 N -1.65 3.00 -1.47 1.96 1.01 -1.26 -1.70 120.40 120.29 2ka5 s VAL 58 Ca 0.28 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.33 2ka5 s VAL 58 Cb -0.01 -3.01 0.24 0.00 0.00 0.00 0.00 36.38 33.60 2ka5 s VAL 58 CO -0.13 -0.01 1.07 0.18 0.00 0.00 0.00 175.10 176.20 2ka5 n LEU 59 N 14.99 1.86 0.04 3.92 4.77 0.13 -4.27 117.00 138.45 2ka5 n LEU 59 Ca 0.35 -0.94 -0.13 0.00 -0.03 0.00 0.00 56.01 55.27 2ka5 n LEU 59 Cb 0.53 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 2ka5 n LEU 59 CO 0.70 0.35 0.77 -1.28 -1.33 0.00 0.00 177.39 176.60 2ka5 h SER 60 N 1.40 -0.05 0.91 -1.43 0.87 -1.68 -3.18 113.55 110.38 2ka5 h SER 60 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2ka5 h SER 60 Cb 0.61 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2ka5 h SER 60 CO 0.07 0.13 -0.19 0.47 -0.53 0.00 0.00 176.83 176.78 2ka5 n ASP 61 N -5.03 0.30 -4.80 6.23 9.92 -1.26 -4.78 116.55 117.11 2ka5 n ASP 61 Ca -0.08 0.27 -0.22 0.00 -0.53 0.00 0.00 54.79 54.23 2ka5 n ASP 61 Cb 0.13 -0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 40.28 2ka5 n ASP 61 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ka5 s VAL 62 N -3.03 2.80 -0.18 2.53 0.11 -1.20 -4.74 120.40 116.69 2ka5 s VAL 62 Ca 0.12 -1.52 0.08 0.00 -2.93 0.00 0.00 61.98 57.74 2ka5 s VAL 62 Cb 0.17 -3.02 -0.17 0.00 -1.53 0.00 0.00 36.38 31.83 2ka5 s VAL 62 CO 0.60 -0.07 -0.05 -1.84 -3.33 0.00 0.00 175.10 170.41 2ka5 n GLU 63 N -1.35 1.01 -3.89 1.54 0.00 -1.26 -4.93 120.64 111.76 2ka5 n GLU 63 Ca -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 57.16 57.12 2ka5 n GLU 63 Cb 0.62 -1.40 -0.05 0.00 0.00 0.00 0.00 31.44 30.61 2ka5 n GLU 63 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2ka5 s SER 64 N -5.40 -0.14 0.10 -1.84 1.04 -1.26 -3.63 113.70 102.56 2ka5 s SER 64 Ca -0.17 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.55 2ka5 s SER 64 Cb 0.06 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 2ka5 s SER 64 CO 0.56 -1.09 0.18 -0.51 0.98 0.00 0.00 173.24 173.37 2ka5 s ILE 65 N -3.95 5.04 0.43 -1.02 2.07 -1.26 -5.03 121.20 117.48 2ka5 s ILE 65 Ca 0.16 -0.65 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 2ka5 s ILE 65 Cb -0.01 -3.50 -0.00 0.00 0.13 0.00 0.00 42.46 39.09 2ka5 s ILE 65 CO 0.03 0.05 0.63 -0.62 -1.91 0.00 0.00 174.94 173.12 2ka5 s ASP 66 N -2.73 5.83 -0.36 4.50 2.15 -1.26 -4.93 116.67 119.88 2ka5 s ASP 66 Ca 0.33 0.15 -0.06 0.00 0.43 0.00 0.00 52.55 53.40 2ka5 s ASP 66 Cb -0.12 -1.42 -0.18 0.00 -0.30 0.00 0.00 42.92 40.90 2ka5 s ASP 66 CO 0.26 -0.66 2.96 -1.20 -0.17 0.00 0.00 175.17 176.36 2ka5 n SER 67 N -1.99 5.10 0.02 -0.34 7.64 -1.26 -2.35 113.62 120.44 2ka5 n SER 67 Ca 0.01 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.54 2ka5 n SER 67 Cb 0.58 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 -0.34 0.27 1.43 -0.00 -1.26 -4.90 117.46 115.58 2ka5 n PHE 68 Ca 0.43 0.06 0.14 0.00 -0.00 0.00 0.00 57.45 58.08 2ka5 n PHE 68 Cb 0.61 0.35 0.77 0.00 -0.00 0.00 0.00 39.48 41.20 2ka5 n PHE 68 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2ka5 h SER 69 N 0.00 0.00 0.00 -2.13 0.87 -1.84 -2.72 113.55 107.73 2ka5 h SER 69 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ka5 h SER 69 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2ka5 h SER 69 CO 0.00 0.10 0.17 0.25 -0.53 0.00 0.00 176.83 176.82 2ka5 h LEU 70 N 0.00 0.00 0.05 2.23 5.85 -1.81 0.35 115.31 121.97 2ka5 h LEU 70 Ca -0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 2ka5 h LEU 70 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2ka5 h LEU 70 CO 0.01 0.00 -1.91 0.61 -0.34 0.00 0.00 178.44 176.82 2ka5 n GLY 71 N -1.25 -0.81 0.31 3.75 0.00 -1.02 -4.38 105.19 101.79 2ka5 n GLY 71 Ca -0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 2ka5 n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ka5 h VAL 72 N 0.03 1.25 -0.33 1.61 2.07 -0.52 -1.87 116.25 118.48 2ka5 h VAL 72 Ca -0.37 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.25 2ka5 h VAL 72 Cb 2.03 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2ka5 h VAL 72 CO 0.07 0.35 0.01 0.40 0.02 0.00 0.00 177.57 178.43 2ka5 h ILE 73 N 0.90 0.77 -0.33 4.57 1.08 -1.33 -0.06 117.51 123.11 2ka5 h ILE 73 Ca 0.19 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.59 2ka5 h ILE 73 Cb 0.39 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 2ka5 h ILE 73 CO 0.01 0.02 0.11 0.58 -0.69 0.00 0.00 178.15 178.18 2ka5 h VAL 74 N 0.11 1.20 -0.96 1.67 2.07 -1.72 -2.30 116.25 116.33 2ka5 h VAL 74 Ca 0.16 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 67.12 2ka5 h VAL 74 Cb 0.21 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 2ka5 h VAL 74 CO -0.26 0.22 0.62 -1.13 0.02 0.00 0.00 177.57 177.04 2ka5 h ASN 75 N 0.38 0.92 -0.57 0.57 -0.73 -0.46 0.20 115.58 115.90 2ka5 h ASN 75 Ca 0.11 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.31 2ka5 h ASN 75 Cb 0.24 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 2ka5 h ASN 75 CO -0.00 0.55 0.37 0.40 -0.37 0.00 0.00 177.43 178.38 2ka5 h ILE 76 N 1.02 1.12 0.07 2.57 2.04 -0.90 -2.47 117.51 120.97 2ka5 h ILE 76 Ca 0.44 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 2ka5 h ILE 76 Cb 0.33 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2ka5 h ILE 76 CO -0.20 0.14 -0.03 0.25 0.00 0.00 0.00 178.15 178.31 2ka5 h LEU 77 N 0.75 -0.08 -1.51 1.44 5.85 -0.16 -1.28 115.31 120.33 2ka5 h LEU 77 Ca 0.22 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2ka5 h LEU 77 Cb -0.06 0.02 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2ka5 h LEU 77 CO -0.06 -0.03 0.02 0.11 -0.34 0.00 0.00 178.44 178.14 2ka5 h LYS 78 N -0.11 0.00 0.03 1.25 1.57 -0.62 0.29 116.57 118.97 2ka5 h LYS 78 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 2ka5 h LYS 78 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2ka5 h LYS 78 CO 0.01 0.00 -0.90 1.03 -0.57 0.00 0.00 179.45 179.02 2ka5 h SER 79 N 0.00 0.09 -0.69 0.86 0.87 -0.85 -3.06 113.55 110.76 2ka5 h SER 79 Ca 0.00 -0.74 -0.03 0.00 -1.23 0.00 0.00 61.79 59.79 2ka5 h SER 79 Cb 0.04 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 2ka5 h SER 79 CO 0.00 1.37 0.33 0.40 -0.53 0.00 0.00 176.83 178.40 2ka5 h ILE 80 N -0.84 1.23 0.00 2.23 2.04 0.05 -0.76 117.51 121.45 2ka5 h ILE 80 Ca -0.23 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2ka5 h ILE 80 Cb 1.31 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2ka5 h ILE 80 CO -0.08 0.27 0.00 -1.20 0.00 0.00 0.00 178.15 177.14 2ka5 n SER 81 N -4.44 0.00 -0.03 1.72 7.64 -0.09 -0.39 113.62 118.02 2ka5 n SER 81 Ca 0.05 -0.13 -0.15 0.00 1.01 0.00 0.00 58.87 59.66 2ka5 n SER 81 Cb 0.13 -0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 62.96 2ka5 n SER 81 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2ka5 h SER 82 N 0.00 0.18 0.42 6.43 0.87 -1.07 -3.40 113.55 116.98 2ka5 h SER 82 Ca 0.00 -0.73 -0.02 0.00 -1.23 0.00 0.00 61.79 59.81 2ka5 h SER 82 Cb 0.22 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2ka5 h SER 82 CO 0.00 0.89 -0.20 0.28 -0.53 0.00 0.00 176.83 177.27 2ka5 h SER 83 N -0.51 -0.47 0.00 6.23 0.02 -0.53 -3.48 113.55 114.80 2ka5 h SER 83 Ca -0.02 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2ka5 h SER 83 Cb 0.90 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2ka5 h SER 83 CO 0.04 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 2ka5 n GLY 84 N -0.42 1.41 0.00 -3.77 0.00 0.47 -5.11 105.19 97.77 2ka5 n GLY 84 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.02 3.19 -0.02 0.00 -0.95 -5.02 105.19 102.41 2ka5 n GLY 85 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 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 0.29 0.97 -0.25 1.61 0.40 -0.53 -4.64 117.98 115.82 2ka5 s PHE 86 Ca 0.00 -1.00 -0.23 0.00 -0.60 0.00 0.00 56.93 55.10 2ka5 s PHE 86 Cb 0.00 -0.56 0.07 0.00 0.51 0.00 0.00 43.02 43.03 2ka5 s PHE 86 CO 0.00 -0.23 0.68 0.12 0.70 0.00 0.00 175.22 176.48 2ka5 s PHE 87 N -3.71 -0.75 0.24 0.36 5.36 -1.26 -3.28 117.98 114.93 2ka5 s PHE 87 Ca 0.17 1.82 -0.05 0.00 -0.96 0.00 0.00 56.93 57.92 2ka5 s PHE 87 Cb 0.06 0.27 -0.02 0.00 -0.34 0.00 0.00 43.02 42.99 2ka5 s PHE 87 CO -0.01 -0.36 0.31 0.00 -1.46 0.00 0.00 175.22 173.69 2ka5 s ALA 88 N 0.42 0.66 0.41 11.12 0.00 -1.14 -3.75 121.76 129.48 2ka5 s ALA 88 Ca -0.00 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.62 2ka5 s ALA 88 Cb -0.05 1.25 -0.04 0.00 0.00 0.00 0.00 23.12 24.29 2ka5 s ALA 88 CO 0.00 -0.72 0.26 -0.51 0.00 0.00 0.00 175.76 174.79 2ka5 s LEU 89 N -3.13 3.23 -0.09 0.00 1.43 0.32 -1.46 118.68 118.97 2ka5 s LEU 89 Ca 0.32 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 2ka5 s LEU 89 Cb 0.03 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.60 2ka5 s LEU 89 CO 0.13 -0.59 0.39 0.54 0.23 0.00 0.00 176.35 177.05 2ka5 s VAL 90 N -2.55 0.02 -1.23 -1.59 0.11 -0.69 -0.39 120.40 114.08 2ka5 s VAL 90 Ca 0.44 -0.18 -0.28 0.00 -2.93 0.00 0.00 61.98 59.03 2ka5 s VAL 90 Cb 0.01 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2ka5 s VAL 90 CO 0.25 -0.10 0.64 -0.24 -3.33 0.00 0.00 175.10 172.32 2ka5 n SER 91 N 2.13 -3.82 -4.68 3.54 2.88 -0.56 0.22 113.62 113.33 2ka5 n SER 91 Ca -0.17 -1.23 -0.29 0.00 -1.33 0.00 0.00 58.87 55.85 2ka5 n SER 91 Cb 0.57 -2.09 0.16 0.00 -0.75 0.00 0.00 64.21 62.10 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 -7.09 0.83 0.31 -1.46 0.04 -1.26 -3.02 135.00 123.34 2ka5 s PRO 92 Ca 0.43 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.28 2ka5 s PRO 92 Cb -0.22 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2ka5 s PRO 92 CO 0.95 -2.52 0.07 -0.80 0.04 0.00 0.00 177.00 174.74 2ka5 s ASN 93 N -3.31 2.11 0.20 6.66 0.01 -1.26 -4.98 114.94 114.37 2ka5 s ASN 93 Ca 0.64 -1.39 -0.11 0.00 -0.71 0.00 0.00 52.86 51.29 2ka5 s ASN 93 Cb -0.19 0.00 0.14 0.00 0.41 0.00 0.00 41.25 41.62 2ka5 s ASN 93 CO 0.58 -0.65 1.86 -0.08 -1.51 0.00 0.00 177.10 177.29 2ka5 h GLU 94 N 2.16 0.97 0.00 -0.60 4.81 -1.98 0.19 114.58 120.13 2ka5 h GLU 94 Ca -0.40 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2ka5 h GLU 94 Cb 1.25 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 2ka5 h GLU 94 CO 0.67 0.67 -0.08 -0.22 -0.73 0.00 0.00 179.01 179.33 2ka5 h LYS 95 N 0.99 0.00 0.05 1.92 3.11 -1.98 -0.45 116.57 120.21 2ka5 h LYS 95 Ca 0.26 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.90 2ka5 h LYS 95 Cb -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 2ka5 h LYS 95 CO -0.05 0.08 -1.09 -0.24 -2.81 0.00 0.00 179.45 175.34 2ka5 h VAL 96 N 0.00 1.14 -0.70 2.00 3.04 -1.18 -3.37 116.25 117.18 2ka5 h VAL 96 Ca -0.00 -2.31 0.11 0.00 -1.01 0.00 0.00 66.70 63.49 2ka5 h VAL 96 Cb 0.16 2.67 -0.08 0.00 -2.01 0.00 0.00 31.29 32.04 2ka5 h VAL 96 CO 0.01 0.55 0.31 -0.33 -1.01 0.00 0.00 177.57 177.10 2ka5 h GLU 97 N -0.68 0.50 0.00 4.17 4.39 -0.32 -0.30 114.58 122.34 2ka5 h GLU 97 Ca -0.26 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 2ka5 h GLU 97 Cb 1.45 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2ka5 h GLU 97 CO -0.05 0.33 -0.07 0.07 -1.16 0.00 0.00 179.01 178.13 2ka5 h ARG 98 N 0.52 0.00 0.01 2.33 -0.00 -1.25 0.12 114.38 116.11 2ka5 h ARG 98 Ca 0.36 0.00 -0.37 0.00 -0.00 0.00 0.00 59.98 59.96 2ka5 h ARG 98 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.36 2ka5 h ARG 98 CO -0.31 0.07 -2.06 0.28 -0.00 0.00 0.00 179.97 177.94 2ka5 n VAL 99 N -3.49 1.54 0.32 0.08 0.31 -0.73 -4.06 118.33 112.30 2ka5 n VAL 99 Ca -0.02 -0.29 0.20 0.00 -0.01 0.00 0.00 64.34 64.22 2ka5 n VAL 99 Cb 0.20 -1.89 1.08 0.00 -0.91 0.00 0.00 33.84 32.32 2ka5 n VAL 99 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ka5 h LEU 100 N -0.85 0.00 0.00 7.52 3.38 -0.62 0.16 115.31 124.90 2ka5 h LEU 100 Ca -0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2ka5 h LEU 100 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2ka5 h LEU 100 CO -0.29 0.00 -0.30 -1.20 0.09 0.00 0.00 178.44 176.74 2ka5 n SER 101 N -3.28 0.44 -0.00 -0.43 7.64 0.39 -1.18 113.62 117.20 2ka5 n SER 101 Ca -0.02 0.19 -0.00 0.00 1.01 0.00 0.00 58.87 60.04 2ka5 n SER 101 Cb 0.14 -0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2ka5 n SER 101 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ka5 n LEU 102 N -1.75 2.91 -0.10 -3.43 4.77 0.31 -4.57 117.00 115.13 2ka5 n LEU 102 Ca 0.05 -0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 2ka5 n LEU 102 Cb 0.37 -0.01 0.71 0.00 -2.33 0.00 0.00 43.42 42.17 2ka5 n LEU 102 CO 0.32 0.49 0.96 1.07 -1.33 0.00 0.00 177.39 178.90 2ka5 n THR 103 N -2.49 0.02 -3.19 -5.08 5.66 0.18 -4.95 114.28 104.42 2ka5 n THR 103 Ca -0.00 -0.06 -0.20 0.00 -3.05 0.00 0.00 64.05 60.74 2ka5 n THR 103 Cb 0.50 -0.24 0.02 0.00 -1.55 0.00 0.00 70.33 69.07 2ka5 n THR 103 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2ka5 n ASN 104 N -0.68 -6.79 0.05 1.09 0.23 -1.25 -5.02 115.26 102.90 2ka5 n ASN 104 Ca 0.19 0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 2ka5 n ASN 104 Cb 0.14 -3.72 0.00 0.00 -2.08 0.00 0.00 39.78 34.12 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2ka5 n LEU 105 N -0.62 0.68 0.29 -4.53 -0.00 -0.32 -4.66 117.00 107.83 2ka5 n LEU 105 Ca -0.01 0.16 0.15 0.00 -0.00 0.00 0.00 56.01 56.32 2ka5 n LEU 105 Cb 0.57 -0.15 0.89 0.00 -0.00 0.00 0.00 43.42 44.73 2ka5 n LEU 105 CO 0.53 -0.62 1.09 -0.78 -0.00 0.00 0.00 177.39 177.61 2ka5 h ASP 106 N 0.00 0.00 0.61 1.96 1.82 -1.50 0.24 116.42 119.55 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 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2ka5 h ASP 106 CO 0.00 0.03 -0.15 -2.11 -1.61 0.00 0.00 179.24 175.40 2ka5 n ARG 107 N -3.75 0.30 -0.03 0.28 1.85 -1.26 -4.17 116.66 109.88 2ka5 n ARG 107 Ca -0.03 -0.09 -0.07 0.00 -1.00 0.00 0.00 57.85 56.66 2ka5 n ARG 107 Cb 0.12 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.01 2ka5 n ARG 107 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2ka5 n ILE 108 N -1.27 0.38 -3.93 8.89 5.41 -0.70 -5.02 119.36 123.13 2ka5 n ILE 108 Ca 0.10 -0.11 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 2ka5 n ILE 108 Cb 0.31 -1.39 -0.06 0.00 -0.71 0.00 0.00 39.64 37.79 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 -2.13 5.37 0.93 1.39 1.01 -0.01 -5.10 120.40 121.86 2ka5 s VAL 109 Ca -0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 2ka5 s VAL 109 Cb 0.03 -3.43 0.15 0.00 0.00 0.00 0.00 36.38 33.14 2ka5 s VAL 109 CO 0.13 0.46 1.11 -0.54 0.00 0.00 0.00 175.10 176.26 2ka5 s LYS 110 N -1.52 0.94 -0.02 2.72 -0.14 -1.25 -4.47 119.74 116.00 2ka5 s LYS 110 Ca 0.21 1.32 -0.07 0.00 -1.36 0.00 0.00 55.97 56.07 2ka5 s LYS 110 Cb -0.12 -1.74 0.01 0.00 -1.68 0.00 0.00 37.83 34.30 2ka5 s LYS 110 CO 0.12 -2.61 0.15 -1.50 -0.76 0.00 0.00 175.35 170.75 2ka5 s ILE 111 N -2.69 0.05 0.25 2.17 1.10 -1.26 -0.52 121.20 120.30 2ka5 s ILE 111 Ca 0.66 -0.43 -0.02 0.00 -0.51 0.00 0.00 60.65 60.34 2ka5 s ILE 111 Cb -0.22 -0.36 -0.03 0.00 0.15 0.00 0.00 42.46 42.01 2ka5 s ILE 111 CO 0.59 -0.24 0.27 -0.31 -2.11 0.00 0.00 174.94 173.14 2ka5 s TYR 112 N -0.82 1.07 -0.16 3.50 2.02 0.48 -4.86 117.35 118.58 2ka5 s TYR 112 Ca -0.09 -1.27 -0.05 0.00 -0.37 0.00 0.00 57.07 55.29 2ka5 s TYR 112 Cb -0.05 -0.37 -0.24 0.00 -0.40 0.00 0.00 41.96 40.90 2ka5 s TYR 112 CO 0.01 -0.81 0.22 -3.47 -1.57 0.00 0.00 175.55 169.93 2ka5 n ASP 113 N -0.62 2.09 -4.29 2.29 2.03 -1.26 -1.49 116.55 115.29 2ka5 n ASP 113 Ca 0.02 0.13 -0.15 0.00 0.52 0.00 0.00 54.79 55.31 2ka5 n ASP 113 Cb 0.64 -0.76 -0.10 0.00 -0.72 0.00 0.00 41.12 40.18 2ka5 n ASP 113 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2ka5 s THR 114 N -2.55 0.64 0.13 5.18 -4.23 -1.26 -2.28 115.64 111.28 2ka5 s THR 114 Ca -0.26 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.14 2ka5 s THR 114 Cb 0.07 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 2ka5 s THR 114 CO 0.72 -0.20 1.47 0.40 -0.54 0.00 0.00 174.62 176.47 2ka5 h ILE 115 N 2.50 1.28 0.00 2.99 1.08 -1.98 -2.92 117.51 120.46 2ka5 h ILE 115 Ca -0.38 -1.53 0.00 0.00 -0.39 0.00 0.00 64.86 62.56 2ka5 h ILE 115 Cb 1.23 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 2ka5 h ILE 115 CO 0.62 0.51 0.00 -0.24 -0.69 0.00 0.00 178.15 178.35 2ka5 n SER 116 N -4.10 0.00 0.01 1.72 2.88 -1.26 -0.68 113.62 112.18 2ka5 n SER 116 Ca -0.02 -0.24 0.12 0.00 -1.33 0.00 0.00 58.87 57.39 2ka5 n SER 116 Cb 0.53 -0.24 0.22 0.00 -0.75 0.00 0.00 64.21 63.98 2ka5 n SER 116 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ka5 n GLU 117 N -1.24 0.03 -0.13 -1.46 1.02 -1.12 -4.34 120.64 113.41 2ka5 n GLU 117 Ca 0.15 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.06 2ka5 n GLU 117 Cb 0.20 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 2ka5 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka5 n ALA 118 N -1.53 1.29 -0.35 0.62 0.00 0.01 -4.35 120.51 116.20 2ka5 n ALA 118 Ca 0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 53.44 52.40 2ka5 n ALA 118 Cb 0.35 -0.04 0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.45 1.26 -0.13 0.00 -1.53 -1.10 0.11 114.93 113.10 2ka5 h MET 119 Ca -0.62 -0.09 0.00 0.00 -3.44 0.00 0.00 59.70 55.55 2ka5 h MET 119 Cb 1.77 -0.28 0.00 0.00 -0.55 0.00 0.00 31.60 32.54 2ka5 h MET 119 CO -0.23 0.85 0.00 -0.85 0.14 0.00 0.00 176.91 176.82 2ka5 n GLU 120 N -4.41 1.38 -0.06 0.39 0.28 -1.26 -4.54 120.64 112.43 2ka5 n GLU 120 Ca 0.11 -1.42 -0.06 0.00 -0.16 0.00 0.00 57.16 55.63 2ka5 n GLU 120 Cb 0.02 -1.19 -0.02 0.00 1.43 0.00 0.00 31.44 31.69 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 0.42 0.33 -0.38 3.44 2.13 -0.93 -4.59 120.64 121.07 2ka5 n GLU 121 Ca 0.07 0.14 0.37 0.00 0.66 0.00 0.00 57.16 58.41 2ka5 n GLU 121 Cb 0.29 -1.10 0.75 0.00 0.27 0.00 0.00 31.44 31.65 2ka5 n GLU 121 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2ka5 h VAL 122 N -0.63 0.35 -0.03 6.31 3.04 -1.05 0.19 116.25 124.41 2ka5 h VAL 122 Ca 0.00 -0.01 0.01 0.00 -1.01 0.00 0.00 66.70 65.69 2ka5 h VAL 122 Cb 0.62 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2ka5 h VAL 122 CO 0.00 0.00 0.33 0.03 -1.01 0.00 0.00 177.57 176.92 2ka5 h ARG 123 N 0.02 0.00 0.00 4.17 3.08 -1.80 -3.01 114.38 116.85 2ka5 h ARG 123 Ca 0.63 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.61 2ka5 h ARG 123 Cb 2.47 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 32.37 2ka5 h ARG 123 CO -0.03 0.00 -0.58 2.89 -1.07 0.00 0.00 179.97 181.18 2ka5 n ARG 124 N -2.97 0.00 0.00 0.04 0.00 0.66 -5.08 116.66 109.31 2ka5 n ARG 124 Ca -0.01 -1.18 0.00 0.00 -0.00 0.00 0.00 57.85 56.66 2ka5 n ARG 124 Cb 0.38 -0.16 0.00 0.00 -0.00 0.00 0.00 32.46 32.69 2ka5 n ARG 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26