#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 s GLY 2 N 0.00 1.78 -0.29 3.03 0.00 -1.26 -5.11 107.32 105.47 2ka5 s GLY 2 Ca 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.26 2ka5 s GLY 2 CO 0.00 -0.78 0.58 -0.45 0.00 0.00 0.00 173.10 172.45 2ka5 s SER 3 N -4.85 -1.38 0.26 1.64 0.15 -1.26 -5.14 113.70 103.12 2ka5 s SER 3 Ca 0.71 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2ka5 s SER 3 Cb -0.04 2.03 0.00 0.00 -1.71 0.00 0.00 66.02 66.30 2ka5 s SER 3 CO 0.50 -0.28 0.00 -0.67 1.20 0.00 0.00 173.24 173.98 2ka5 n ASP 4 N 5.42 -5.87 -3.30 5.45 -0.08 -1.26 -4.95 116.55 111.97 2ka5 n ASP 4 Ca 0.02 0.47 -0.09 0.00 -1.51 0.00 0.00 54.79 53.68 2ka5 n ASP 4 Cb 0.52 -3.29 -0.06 0.00 2.34 0.00 0.00 41.12 40.64 2ka5 n ASP 4 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2ka5 s LYS 5 N -2.19 0.47 -0.04 -0.67 1.02 -1.26 -5.15 119.74 111.91 2ka5 s LYS 5 Ca 0.00 0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.03 2ka5 s LYS 5 Cb 0.00 -0.31 -0.00 0.00 -0.52 0.00 0.00 37.83 37.00 2ka5 s LYS 5 CO 0.00 -1.07 -0.16 0.42 -0.92 0.00 0.00 175.35 173.62 2ka5 s ILE 6 N 2.39 1.36 0.00 2.17 -1.09 -1.26 -5.05 121.20 119.72 2ka5 s ILE 6 Ca 0.11 -0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 57.66 2ka5 s ILE 6 Cb -0.12 -1.17 -0.22 0.00 -1.58 0.00 0.00 42.46 39.36 2ka5 s ILE 6 CO -0.26 0.39 1.11 1.12 -1.23 0.00 0.00 174.94 176.08 2ka5 h HIS 7 N 6.34 0.56 -5.93 3.97 2.07 -2.05 -3.49 115.15 116.62 2ka5 h HIS 7 Ca -0.32 -0.29 -0.35 0.00 -2.85 0.00 0.00 60.37 56.56 2ka5 h HIS 7 Cb 1.18 -0.07 0.01 0.00 2.57 0.00 0.00 27.41 31.10 2ka5 h HIS 7 CO 0.44 1.09 -1.02 0.72 -3.07 0.00 0.00 177.93 176.10 2ka5 n HIS 8 N -4.28 -2.18 -1.64 6.12 8.25 -1.26 -4.82 115.22 115.42 2ka5 n HIS 8 Ca -0.10 0.91 -0.43 0.00 -0.26 0.00 0.00 57.72 57.84 2ka5 n HIS 8 Cb 0.63 -1.57 -0.03 0.00 1.12 0.00 0.00 29.99 30.13 2ka5 n HIS 8 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ka5 n HIS 9 N -0.45 2.31 -3.71 4.41 1.44 -1.26 -4.95 115.22 113.01 2ka5 n HIS 9 Ca -0.10 -0.25 -0.10 0.00 -2.01 0.00 0.00 57.72 55.26 2ka5 n HIS 9 Cb 0.58 -2.76 -0.05 0.00 0.12 0.00 0.00 29.99 27.88 2ka5 n HIS 9 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2ka5 s HIS 10 N 5.62 -0.10 -0.48 -1.40 -3.43 -1.26 -5.12 115.29 109.12 2ka5 s HIS 10 Ca 0.93 -0.24 0.03 0.00 -0.80 0.00 0.00 55.06 54.98 2ka5 s HIS 10 Cb -0.45 0.26 0.14 0.00 -1.43 0.00 0.00 32.58 31.10 2ka5 s HIS 10 CO 0.41 -0.77 0.27 -1.01 -2.00 0.00 0.00 174.74 171.65 2ka5 s HIS 11 N -3.85 2.34 0.00 0.38 3.76 -1.26 -5.11 115.29 111.55 2ka5 s HIS 11 Ca 0.07 -2.67 0.00 0.00 -0.15 0.00 0.00 55.06 52.31 2ka5 s HIS 11 Cb 0.01 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.59 2ka5 s HIS 11 CO -0.07 -0.75 0.00 1.58 -0.85 0.00 0.00 174.74 174.64 2ka5 n HIS 12 N 3.25 -2.00 -2.03 1.40 -0.00 -1.26 -5.08 115.22 109.50 2ka5 n HIS 12 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.51 2ka5 n HIS 12 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.34 2ka5 n HIS 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2ka5 s MET 13 N -0.97 3.57 -0.44 1.57 0.23 -1.26 -5.07 119.30 116.93 2ka5 s MET 13 Ca 0.00 0.93 0.04 0.00 -1.03 0.00 0.00 55.69 55.63 2ka5 s MET 13 Cb 0.00 -2.08 0.12 0.00 -1.53 0.00 0.00 34.83 31.34 2ka5 s MET 13 CO 0.00 -0.59 0.17 -0.59 -2.03 0.00 0.00 175.02 171.98 2ka5 s PHE 14 N -2.85 3.40 -0.34 3.16 -0.71 -1.26 -5.01 117.98 114.37 2ka5 s PHE 14 Ca 0.58 -3.09 -0.06 0.00 -1.04 0.00 0.00 56.93 53.32 2ka5 s PHE 14 Cb -0.12 -2.84 -0.20 0.00 -1.21 0.00 0.00 43.02 38.65 2ka5 s PHE 14 CO 0.44 -0.83 3.08 -0.35 -1.34 0.00 0.00 175.22 176.21 2ka5 n PRO 15 N 3.60 2.08 -3.80 1.99 -0.04 -1.26 -4.81 135.00 132.75 2ka5 n PRO 15 Ca 0.05 -1.13 -0.03 0.00 -0.04 0.00 0.00 63.50 62.35 2ka5 n PRO 15 Cb 0.36 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 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 1.59 -0.03 0.28 0.54 1.13 -1.26 -0.49 117.35 119.11 2ka5 s TYR 16 Ca 0.58 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.96 2ka5 s TYR 16 Cb 0.25 0.66 -0.04 0.00 -1.10 0.00 0.00 41.96 41.73 2ka5 s TYR 16 CO -0.01 -0.82 0.15 0.21 -2.51 0.00 0.00 175.55 172.57 2ka5 s LYS 17 N -2.67 1.50 0.02 -3.49 2.20 0.65 -4.89 119.74 113.06 2ka5 s LYS 17 Ca 0.17 -1.84 0.02 0.00 -0.36 0.00 0.00 55.97 53.96 2ka5 s LYS 17 Cb -0.01 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.26 2ka5 s LYS 17 CO 0.03 -0.43 -0.07 0.42 -0.36 0.00 0.00 175.35 174.94 2ka5 s ILE 18 N -3.72 0.54 0.00 5.43 1.01 -1.26 0.01 121.20 123.22 2ka5 s ILE 18 Ca 0.37 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.34 2ka5 s ILE 18 Cb 0.06 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2ka5 s ILE 18 CO 0.17 -0.11 0.00 1.33 0.00 0.00 0.00 174.94 176.32 2ka5 n VAL 19 N 2.19 0.00 0.03 2.92 0.24 0.65 -4.96 118.33 119.39 2ka5 n VAL 19 Ca -0.18 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.07 2ka5 n VAL 19 Cb 0.56 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.90 2ka5 n VAL 19 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2ka5 h ASP 20 N 0.00 -0.51 0.00 -1.34 1.82 -2.02 -3.40 116.42 110.97 2ka5 h ASP 20 Ca 0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2ka5 h ASP 20 Cb 0.00 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2ka5 h ASP 20 CO 0.00 -0.17 -0.07 -0.90 -1.61 0.00 0.00 179.24 176.49 2ka5 n ASP 21 N -3.41 0.00 -4.29 2.28 5.75 -1.26 -5.09 116.55 110.53 2ka5 n ASP 21 Ca -0.03 -1.14 -0.32 0.00 -0.01 0.00 0.00 54.79 53.29 2ka5 n ASP 21 Cb 0.13 -0.03 -0.16 0.00 -1.03 0.00 0.00 41.12 40.03 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 2.18 0.41 2.12 1.01 -1.26 -4.57 120.40 120.29 2ka5 s VAL 22 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 2ka5 s VAL 22 Cb 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 2ka5 s VAL 22 CO 0.00 0.57 0.90 0.54 0.00 0.00 0.00 175.10 177.11 2ka5 s VAL 23 N -0.18 4.48 -0.43 2.92 0.11 -0.84 -0.26 120.40 126.20 2ka5 s VAL 23 Ca -0.03 1.32 0.02 0.00 -2.93 0.00 0.00 61.98 60.36 2ka5 s VAL 23 Cb -0.14 -3.61 0.14 0.00 -1.53 0.00 0.00 36.38 31.24 2ka5 s VAL 23 CO 0.03 -0.32 0.25 -0.63 -3.33 0.00 0.00 175.10 171.11 2ka5 s ILE 24 N -2.17 1.10 0.37 7.04 1.09 0.10 0.34 121.20 129.08 2ka5 s ILE 24 Ca 0.60 -2.43 -0.28 0.00 -1.10 0.00 0.00 60.65 57.44 2ka5 s ILE 24 Cb -0.09 -1.77 -0.11 0.00 -1.06 0.00 0.00 42.46 39.42 2ka5 s ILE 24 CO 0.16 -0.94 1.42 0.18 -0.10 0.00 0.00 174.94 175.65 2ka5 n LEU 25 N 3.56 4.38 -3.34 2.97 7.99 0.51 -0.26 117.00 132.81 2ka5 n LEU 25 Ca 0.11 1.21 -0.26 0.00 -0.01 0.00 0.00 56.01 57.07 2ka5 n LEU 25 Cb 0.36 -1.57 -0.09 0.00 -0.11 0.00 0.00 43.42 42.01 2ka5 n LEU 25 CO 0.21 -0.08 -0.30 0.23 -1.51 0.00 0.00 177.39 175.94 2ka5 n MET 26 N 0.44 0.43 -1.37 3.23 2.81 0.36 -1.02 117.12 122.00 2ka5 n MET 26 Ca 0.03 -3.24 -0.40 0.00 -1.81 0.00 0.00 57.70 52.27 2ka5 n MET 26 Cb 0.38 -1.54 -0.03 0.00 -0.71 0.00 0.00 33.22 31.32 2ka5 n MET 26 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2ka5 n PRO 27 N 2.31 2.34 -1.67 0.03 -0.04 -1.25 -4.29 135.00 132.44 2ka5 n PRO 27 Ca 0.27 -2.16 -0.23 0.00 -0.04 0.00 0.00 63.50 61.34 2ka5 n PRO 27 Cb 0.49 -3.01 -0.05 0.00 -0.04 0.00 0.00 33.50 30.88 2ka5 n PRO 27 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ka5 s ASN 28 N 3.81 4.30 0.00 3.54 6.03 -1.26 -3.21 114.94 128.15 2ka5 s ASN 28 Ca 0.52 0.24 0.00 0.00 -1.03 0.00 0.00 52.86 52.60 2ka5 s ASN 28 Cb 0.14 -2.54 0.00 0.00 -3.03 0.00 0.00 41.25 35.83 2ka5 s ASN 28 CO -0.00 -3.36 0.00 0.29 -2.03 0.00 0.00 177.10 172.00 2ka5 n LYS 29 N 8.90 0.00 -0.31 3.55 4.01 -0.99 -4.89 118.16 128.44 2ka5 n LYS 29 Ca 0.41 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 58.12 2ka5 n LYS 29 Cb 0.47 -2.78 -0.01 0.00 -0.51 0.00 0.00 35.03 32.20 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 -1.05 0.86 -0.49 1.97 4.71 -1.20 -4.29 120.64 121.16 2ka5 n GLU 30 Ca 0.00 -0.85 0.06 0.00 -0.01 0.00 0.00 57.16 56.36 2ka5 n GLU 30 Cb 0.00 -2.14 0.10 0.00 -1.01 0.00 0.00 31.44 28.39 2ka5 n GLU 30 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2ka5 n LEU 31 N 4.48 1.62 -4.57 -4.62 4.77 -1.26 -4.81 117.00 112.61 2ka5 n LEU 31 Ca 0.18 -2.56 -0.38 0.00 -0.03 0.00 0.00 56.01 53.23 2ka5 n LEU 31 Cb 0.07 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 40.94 2ka5 n LEU 31 CO 0.55 0.70 0.38 -0.46 -1.33 0.00 0.00 177.39 177.24 2ka5 n ASN 32 N -0.73 0.13 -0.26 -1.43 0.23 -1.26 -4.69 115.26 107.25 2ka5 n ASN 32 Ca 0.11 0.76 0.03 0.00 -0.53 0.00 0.00 54.58 54.96 2ka5 n ASN 32 Cb 0.74 -1.32 0.25 0.00 -2.08 0.00 0.00 39.78 37.37 2ka5 n ASN 32 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2ka5 h ILE 33 N 0.31 1.10 -0.22 1.53 2.04 -1.97 0.48 117.51 120.79 2ka5 h ILE 33 Ca -0.48 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 2ka5 h ILE 33 Cb 1.37 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2ka5 h ILE 33 CO 0.49 0.18 -0.33 -0.33 0.00 0.00 0.00 178.15 178.16 2ka5 h GLU 34 N 1.00 0.46 -0.13 2.37 5.08 -1.99 0.39 114.58 121.75 2ka5 h GLU 34 Ca 0.34 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2ka5 h GLU 34 Cb 0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2ka5 h GLU 34 CO -0.11 0.74 -0.44 -0.97 -1.00 0.00 0.00 179.01 177.23 2ka5 h ASN 35 N 0.39 0.61 -0.57 1.42 -1.24 -1.79 -2.34 115.58 112.07 2ka5 h ASN 35 Ca 0.05 -0.61 0.10 0.00 0.71 0.00 0.00 56.30 56.55 2ka5 h ASN 35 Cb 0.77 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.61 2ka5 h ASN 35 CO 0.06 1.11 0.38 0.00 -1.29 0.00 0.00 177.43 177.70 2ka5 h ALA 36 N 0.51 2.05 -0.08 1.57 0.00 -0.08 0.39 119.26 123.63 2ka5 h ALA 36 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2ka5 h ALA 36 Cb 1.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ka5 h ALA 36 CO 0.09 -0.18 -0.08 1.25 0.00 0.00 0.00 179.25 180.33 2ka5 h HIS 37 N 0.36 0.23 0.00 0.00 -0.00 -0.17 -3.19 115.15 112.38 2ka5 h HIS 37 Ca 0.26 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 2ka5 h HIS 37 Cb 0.55 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2ka5 h HIS 37 CO -0.00 0.64 0.00 1.37 -0.00 0.00 0.00 177.93 179.94 2ka5 h LEU 38 N -0.25 0.00 -0.30 0.26 8.10 -0.75 -3.37 115.31 119.00 2ka5 h LEU 38 Ca 0.01 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.06 2ka5 h LEU 38 Cb 0.61 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.75 2ka5 h LEU 38 CO 0.02 0.00 -0.37 0.15 -4.11 0.00 0.00 178.44 174.13 2ka5 h PHE 39 N 0.00 -1.06 0.00 0.17 3.57 -0.25 0.15 116.94 119.52 2ka5 h PHE 39 Ca 0.00 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2ka5 h PHE 39 Cb 0.56 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2ka5 h PHE 39 CO 0.00 -0.42 -0.29 -0.22 -2.23 0.00 0.00 178.31 175.15 2ka5 h LYS 40 N -0.35 0.00 0.12 1.11 3.64 -1.77 0.28 116.57 119.60 2ka5 h LYS 40 Ca 0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2ka5 h LYS 40 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2ka5 h LYS 40 CO -0.49 0.29 -0.06 -0.22 -2.27 0.00 0.00 179.45 176.71 2ka5 h LYS 41 N 0.00 -0.15 0.95 1.90 3.64 -1.02 -2.15 116.57 119.73 2ka5 h LYS 41 Ca -0.00 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2ka5 h LYS 41 Cb 0.55 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2ka5 h LYS 41 CO 0.04 0.23 -0.46 2.35 -2.27 0.00 0.00 179.45 179.33 2ka5 h TRP 42 N -0.57 -1.20 -0.96 1.91 7.01 -0.61 0.17 115.95 121.69 2ka5 h TRP 42 Ca -0.02 -0.03 0.28 0.00 2.11 0.00 0.00 58.89 61.23 2ka5 h TRP 42 Cb 0.45 0.40 -0.04 0.00 -2.10 0.00 0.00 29.16 27.87 2ka5 h TRP 42 CO 0.05 -0.74 0.69 0.28 -2.79 0.00 0.00 178.44 175.93 2ka5 h VAL 43 N -1.29 0.52 0.01 2.65 2.07 -0.58 0.23 116.25 119.86 2ka5 h VAL 43 Ca -0.13 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2ka5 h VAL 43 Cb 0.99 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2ka5 h VAL 43 CO 0.21 0.00 -0.00 -0.26 0.02 0.00 0.00 177.57 177.54 2ka5 h PHE 44 N 0.00 -0.01 -0.53 1.57 -1.00 -0.85 -1.56 116.94 114.56 2ka5 h PHE 44 Ca 0.46 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.22 2ka5 h PHE 44 Cb 1.83 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.36 2ka5 h PHE 44 CO -0.00 -0.00 0.26 0.22 -1.61 0.00 0.00 178.31 177.17 2ka5 h ASP 45 N -0.02 0.67 0.71 2.17 3.58 0.13 0.43 116.42 124.09 2ka5 h ASP 45 Ca -0.00 -0.06 -0.17 0.00 0.42 0.00 0.00 57.03 57.22 2ka5 h ASP 45 Cb 0.01 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2ka5 h ASP 45 CO 0.00 0.57 -0.81 -0.08 -2.88 0.00 0.00 179.24 176.04 2ka5 h GLU 46 N 0.74 0.07 0.00 0.28 4.57 -0.78 -3.35 114.58 116.11 2ka5 h GLU 46 Ca 0.19 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2ka5 h GLU 46 Cb 0.08 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2ka5 h GLU 46 CO -0.03 0.84 0.00 1.19 -1.18 0.00 0.00 179.01 179.83 2ka5 n PHE 47 N -3.63 -0.45 -0.03 0.92 3.72 -0.36 -4.71 117.46 112.93 2ka5 n PHE 47 Ca -0.02 0.08 -0.10 0.00 -0.05 0.00 0.00 57.45 57.36 2ka5 n PHE 47 Cb 0.77 0.32 -0.04 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.11 -1.09 4.37 3.38 0.66 -0.05 115.31 122.69 2ka5 h LEU 48 Ca 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2ka5 h LEU 48 Cb 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2ka5 h LEU 48 CO 0.00 0.09 -0.12 0.78 0.09 0.00 0.00 178.44 179.27 2ka5 h ASN 49 N 0.16 0.48 0.13 -0.43 2.35 -0.66 -1.15 115.58 116.46 2ka5 h ASN 49 Ca 0.07 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2ka5 h ASN 49 Cb 0.02 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 2ka5 h ASN 49 CO -0.05 0.64 -0.01 0.11 -1.65 0.00 0.00 177.43 176.47 2ka5 h LYS 50 N 0.46 0.00 0.00 0.81 1.57 -1.44 -3.46 116.57 114.51 2ka5 h LYS 50 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2ka5 h LYS 50 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2ka5 h LYS 50 CO 0.03 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.33 2ka5 n GLY 51 N -1.00 0.96 3.76 3.86 0.00 -0.44 -5.04 105.19 107.30 2ka5 n GLY 51 Ca -0.03 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2ka5 n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ka5 s TYR 52 N -2.00 3.30 -0.07 1.61 1.51 -0.15 -4.94 117.35 116.61 2ka5 s TYR 52 Ca 0.00 1.51 0.01 0.00 -1.01 0.00 0.00 57.07 57.57 2ka5 s TYR 52 Cb 0.00 -3.51 0.01 0.00 -0.11 0.00 0.00 41.96 38.36 2ka5 s TYR 52 CO 0.00 -1.32 0.82 0.09 -1.11 0.00 0.00 175.55 174.03 2ka5 n ASN 53 N 1.23 1.66 -3.40 2.29 5.03 -1.26 -4.22 115.26 116.59 2ka5 n ASN 53 Ca 0.00 -1.61 -0.18 0.00 0.87 0.00 0.00 54.58 53.66 2ka5 n ASN 53 Cb 0.43 -0.01 -0.10 0.00 -1.02 0.00 0.00 39.78 39.09 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 -0.62 0.38 0.10 3.52 1.02 -1.25 -0.47 119.74 122.41 2ka5 s LYS 54 Ca 0.01 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.71 2ka5 s LYS 54 Cb 0.01 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.58 2ka5 s LYS 54 CO 0.01 -1.06 0.17 0.42 -0.92 0.00 0.00 175.35 173.96 2ka5 s ILE 55 N 2.15 4.93 0.25 2.17 1.09 -1.12 -1.98 121.20 128.70 2ka5 s ILE 55 Ca 0.11 -0.70 0.10 0.00 -1.10 0.00 0.00 60.65 59.06 2ka5 s ILE 55 Cb -0.14 -3.45 -0.05 0.00 -1.06 0.00 0.00 42.46 37.76 2ka5 s ILE 55 CO -0.27 0.04 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.09 2ka5 s PHE 56 N -1.56 2.02 -0.13 3.97 0.08 0.15 -2.87 117.98 119.64 2ka5 s PHE 56 Ca 0.32 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2ka5 s PHE 56 Cb -0.12 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.43 2ka5 s PHE 56 CO 0.25 0.53 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.60 2ka5 s LEU 57 N -3.42 1.66 0.00 -0.37 2.96 -0.51 -0.37 118.68 118.62 2ka5 s LEU 57 Ca 0.27 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 2ka5 s LEU 57 Cb -0.02 -1.11 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 2ka5 s LEU 57 CO 0.11 -0.03 0.35 -0.69 -1.32 0.00 0.00 176.35 174.77 2ka5 s VAL 58 N 1.28 5.15 0.00 1.68 1.01 -0.19 -0.29 120.40 129.04 2ka5 s VAL 58 Ca -0.00 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2ka5 s VAL 58 Cb -0.14 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2ka5 s VAL 58 CO -0.06 0.49 0.73 0.18 0.00 0.00 0.00 175.10 176.44 2ka5 n LEU 59 N 1.55 1.35 -0.25 3.92 4.32 -0.15 -4.42 117.00 123.32 2ka5 n LEU 59 Ca -0.13 -1.35 0.11 0.00 -0.02 0.00 0.00 56.01 54.62 2ka5 n LEU 59 Cb 0.53 0.00 0.38 0.00 -1.62 0.00 0.00 43.42 42.71 2ka5 n LEU 59 CO 0.38 0.34 1.22 -1.28 -1.22 0.00 0.00 177.39 176.83 2ka5 h SER 60 N 0.00 0.64 -0.46 -1.43 0.87 -1.71 -3.02 113.55 108.45 2ka5 h SER 60 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2ka5 h SER 60 Cb 0.41 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2ka5 h SER 60 CO 0.00 0.34 0.00 0.47 -0.53 0.00 0.00 176.83 177.11 2ka5 n ASP 61 N -4.54 4.78 -3.67 6.23 9.92 -1.26 -4.86 116.55 123.15 2ka5 n ASP 61 Ca 0.16 -2.85 -0.10 0.00 -0.53 0.00 0.00 54.79 51.47 2ka5 n ASP 61 Cb 0.43 -0.60 -0.10 0.00 -0.64 0.00 0.00 41.12 40.21 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 -2.57 -0.44 0.05 2.53 0.11 -1.14 -2.34 120.40 116.60 2ka5 s VAL 62 Ca 0.48 0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 59.52 2ka5 s VAL 62 Cb 0.36 -0.62 -0.18 0.00 -1.53 0.00 0.00 36.38 34.42 2ka5 s VAL 62 CO 0.15 0.07 1.24 -0.08 -3.33 0.00 0.00 175.10 173.14 2ka5 h GLU 63 N 7.89 0.54 -3.86 1.54 4.81 -1.89 -3.47 114.58 120.13 2ka5 h GLU 63 Ca -0.22 -0.43 -0.18 0.00 -0.13 0.00 0.00 59.36 58.41 2ka5 h GLU 63 Cb 1.13 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 2ka5 h GLU 63 CO 0.17 1.05 -0.13 0.45 -0.73 0.00 0.00 179.01 179.83 2ka5 s SER 64 N -6.68 0.49 0.02 1.04 0.15 -1.26 -4.10 113.70 103.36 2ka5 s SER 64 Ca -0.13 -1.28 -0.01 0.00 0.70 0.00 0.00 55.95 55.23 2ka5 s SER 64 Cb 0.06 0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 65.01 2ka5 s SER 64 CO 0.83 -1.29 0.00 -0.51 1.20 0.00 0.00 173.24 173.47 2ka5 s ILE 65 N -3.27 0.10 0.51 6.45 2.07 -1.26 -4.99 121.20 120.81 2ka5 s ILE 65 Ca 0.27 -0.86 -0.14 0.00 -1.41 0.00 0.00 60.65 58.51 2ka5 s ILE 65 Cb -0.01 -0.29 -0.07 0.00 0.13 0.00 0.00 42.46 42.22 2ka5 s ILE 65 CO 0.16 -0.47 0.95 -1.81 -1.91 0.00 0.00 174.94 171.85 2ka5 s ASP 66 N -1.43 6.52 0.59 4.50 1.01 -1.26 -4.81 116.67 121.79 2ka5 s ASP 66 Ca -0.16 1.43 0.29 0.00 0.71 0.00 0.00 52.55 54.83 2ka5 s ASP 66 Cb -0.09 -2.46 1.54 0.00 1.01 0.00 0.00 42.92 42.92 2ka5 s ASP 66 CO -0.00 -0.60 1.97 0.77 0.21 0.00 0.00 175.17 177.51 2ka5 h SER 67 N 0.73 0.00 0.62 0.27 4.64 -1.99 0.06 113.55 117.87 2ka5 h SER 67 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2ka5 h SER 67 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2ka5 h SER 67 CO 0.62 0.00 -0.30 0.15 -0.87 0.00 0.00 176.83 176.43 2ka5 h PHE 68 N 0.00 -0.78 0.00 4.77 3.04 -1.99 -3.37 116.94 118.61 2ka5 h PHE 68 Ca 0.16 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.03 2ka5 h PHE 68 Cb 0.92 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 2ka5 h PHE 68 CO 0.00 -0.48 -0.52 1.03 -2.02 0.00 0.00 178.31 176.32 2ka5 h SER 69 N -0.90 0.00 0.08 0.41 0.87 -1.47 -2.76 113.55 109.77 2ka5 h SER 69 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2ka5 h SER 69 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2ka5 h SER 69 CO 0.14 0.29 0.00 0.25 -0.53 0.00 0.00 176.83 176.99 2ka5 h LEU 70 N 0.00 0.00 0.00 2.23 5.85 -1.24 0.22 115.31 122.37 2ka5 h LEU 70 Ca -0.02 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.39 2ka5 h LEU 70 Cb 1.24 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2ka5 h LEU 70 CO 0.03 0.00 -1.82 0.61 -0.34 0.00 0.00 178.44 176.92 2ka5 n GLY 71 N -1.11 -1.00 0.27 3.75 0.00 -1.05 -4.12 105.19 101.94 2ka5 n GLY 71 Ca -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 2ka5 n GLY 71 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2ka5 h VAL 72 N 0.00 1.26 -0.36 1.61 3.04 -0.58 -1.23 116.25 119.99 2ka5 h VAL 72 Ca -0.33 -1.19 0.01 0.00 -1.01 0.00 0.00 66.70 64.17 2ka5 h VAL 72 Cb 2.05 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 32.38 2ka5 h VAL 72 CO 0.07 0.41 0.23 0.40 -1.01 0.00 0.00 177.57 177.66 2ka5 h ILE 73 N 0.70 1.07 -0.80 3.17 1.08 -1.40 -1.19 117.51 120.14 2ka5 h ILE 73 Ca 0.11 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2ka5 h ILE 73 Cb 0.61 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 2ka5 h ILE 73 CO 0.04 0.08 0.48 0.58 -0.69 0.00 0.00 178.15 178.64 2ka5 h VAL 74 N 0.46 1.23 -0.93 1.67 2.07 -1.66 -2.83 116.25 116.25 2ka5 h VAL 74 Ca 0.13 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.23 2ka5 h VAL 74 Cb -0.03 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 29.77 2ka5 h VAL 74 CO -0.04 0.24 0.57 -1.13 0.02 0.00 0.00 177.57 177.23 2ka5 h ASN 75 N 1.10 0.87 -0.73 0.57 -0.73 -0.03 0.98 115.58 117.61 2ka5 h ASN 75 Ca 0.29 0.03 -0.06 0.00 1.87 0.00 0.00 56.30 58.43 2ka5 h ASN 75 Cb -0.03 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.38 2ka5 h ASN 75 CO -0.05 0.52 0.22 0.40 -0.37 0.00 0.00 177.43 178.15 2ka5 h ILE 76 N 0.98 1.26 -0.07 2.57 2.04 -1.21 -2.34 117.51 120.75 2ka5 h ILE 76 Ca 0.43 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 2ka5 h ILE 76 Cb 0.31 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2ka5 h ILE 76 CO -0.22 0.36 0.03 0.25 0.00 0.00 0.00 178.15 178.57 2ka5 h LEU 77 N 1.10 0.08 -0.21 1.44 7.12 -0.65 -0.80 115.31 123.39 2ka5 h LEU 77 Ca 0.24 -0.11 0.05 0.00 0.13 0.00 0.00 57.88 58.19 2ka5 h LEU 77 Cb 0.31 -0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.35 2ka5 h LEU 77 CO -0.01 0.17 -0.35 0.11 -0.13 0.00 0.00 178.44 178.23 2ka5 h LYS 78 N -0.01 -0.37 -0.77 1.25 1.57 -0.98 0.40 116.57 117.67 2ka5 h LYS 78 Ca 0.02 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2ka5 h LYS 78 Cb 0.11 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2ka5 h LYS 78 CO -0.00 -0.25 0.27 0.77 -0.57 0.00 0.00 179.45 179.67 2ka5 h SER 79 N -0.38 1.09 -0.44 0.86 0.02 -1.24 0.26 113.55 113.72 2ka5 h SER 79 Ca 0.11 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2ka5 h SER 79 Cb 0.57 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2ka5 h SER 79 CO -0.42 1.00 0.12 0.40 -1.14 0.00 0.00 176.83 176.79 2ka5 h ILE 80 N 1.13 1.23 -0.32 3.27 2.04 -0.38 0.15 117.51 124.63 2ka5 h ILE 80 Ca 0.25 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.38 2ka5 h ILE 80 Cb 0.27 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2ka5 h ILE 80 CO -0.01 0.28 0.09 0.28 0.00 0.00 0.00 178.15 178.79 2ka5 h SER 81 N 0.58 0.08 0.62 1.72 0.02 -0.71 0.26 113.55 116.11 2ka5 h SER 81 Ca 0.14 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2ka5 h SER 81 Cb 0.29 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2ka5 h SER 81 CO -0.00 0.08 0.00 -1.20 -1.14 0.00 0.00 176.83 174.57 2ka5 n SER 82 N -5.05 0.08 -0.06 3.07 7.64 0.06 -2.79 113.62 116.57 2ka5 n SER 82 Ca 0.00 0.52 -0.01 0.00 1.01 0.00 0.00 58.87 60.40 2ka5 n SER 82 Cb 0.13 -0.54 -0.16 0.00 -1.01 0.00 0.00 64.21 62.63 2ka5 n SER 82 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ka5 n SER 83 N -1.59 0.03 0.00 6.43 7.64 0.49 -5.03 113.62 121.59 2ka5 n SER 83 Ca 0.04 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2ka5 n SER 83 Cb 0.21 1.41 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 2ka5 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka5 n GLY 84 N 1.53 1.11 0.00 0.23 0.00 -0.12 -5.07 105.19 102.86 2ka5 n GLY 84 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 1.81 3.09 -0.02 0.00 -0.11 -5.00 105.19 104.97 2ka5 n GLY 85 Ca 0.00 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.94 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 2.03 0.53 -0.08 1.61 0.40 0.38 -4.54 117.98 118.31 2ka5 s PHE 86 Ca 0.00 -1.07 -0.13 0.00 -0.60 0.00 0.00 56.93 55.13 2ka5 s PHE 86 Cb 0.00 -0.39 0.03 0.00 0.51 0.00 0.00 43.02 43.16 2ka5 s PHE 86 CO 0.00 -0.38 0.32 0.12 0.70 0.00 0.00 175.22 175.98 2ka5 s PHE 87 N -3.92 -0.29 0.16 0.36 5.36 -1.26 -2.78 117.98 115.61 2ka5 s PHE 87 Ca 0.07 0.65 -0.08 0.00 -0.96 0.00 0.00 56.93 56.62 2ka5 s PHE 87 Cb 0.08 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.86 2ka5 s PHE 87 CO -0.10 -0.26 0.25 0.00 -1.46 0.00 0.00 175.22 173.66 2ka5 s ALA 88 N -0.40 0.17 0.21 11.12 0.00 -1.14 -3.95 121.76 127.77 2ka5 s ALA 88 Ca -0.05 -1.00 0.09 0.00 0.00 0.00 0.00 51.96 50.99 2ka5 s ALA 88 Cb -0.03 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2ka5 s ALA 88 CO 0.02 -0.63 -0.06 -0.51 0.00 0.00 0.00 175.76 174.58 2ka5 s LEU 89 N -2.99 3.07 -0.01 0.00 1.02 -0.04 -1.43 118.68 118.31 2ka5 s LEU 89 Ca 0.19 -0.59 -0.10 0.00 0.02 0.00 0.00 54.13 53.64 2ka5 s LEU 89 Cb 0.04 -1.69 0.01 0.00 0.02 0.00 0.00 46.19 44.57 2ka5 s LEU 89 CO 0.01 0.07 0.21 -0.69 0.02 0.00 0.00 176.35 175.97 2ka5 s VAL 90 N -1.93 0.07 -1.27 -1.59 1.01 0.60 -0.83 120.40 116.46 2ka5 s VAL 90 Ca 0.27 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2ka5 s VAL 90 Cb -0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 2ka5 s VAL 90 CO 0.17 -0.31 0.62 -0.24 0.00 0.00 0.00 175.10 175.34 2ka5 n SER 91 N 1.46 -2.78 -4.55 3.32 2.88 -1.11 -0.98 113.62 111.87 2ka5 n SER 91 Ca -0.22 -1.01 -0.43 0.00 -1.33 0.00 0.00 58.87 55.88 2ka5 n SER 91 Cb 0.56 -3.23 -0.00 0.00 -0.75 0.00 0.00 64.21 60.79 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 -6.28 3.95 0.83 -1.46 0.04 -1.26 -3.08 135.00 127.73 2ka5 s PRO 92 Ca 0.24 -2.01 -0.13 0.00 0.04 0.00 0.00 61.00 59.13 2ka5 s PRO 92 Cb -0.09 -5.39 0.07 0.00 0.04 0.00 0.00 34.50 29.14 2ka5 s PRO 92 CO 0.87 -2.12 1.02 0.09 0.04 0.00 0.00 177.00 176.90 2ka5 n ASN 93 N 7.77 0.33 0.03 6.66 3.02 -1.26 -4.68 115.26 127.14 2ka5 n ASN 93 Ca 0.43 0.54 0.02 0.00 -0.03 0.00 0.00 54.58 55.54 2ka5 n ASN 93 Cb 0.46 -1.44 0.36 0.00 -0.61 0.00 0.00 39.78 38.55 2ka5 n ASN 93 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2ka5 h GLU 94 N -1.02 0.45 -0.65 3.52 4.81 -1.96 -2.32 114.58 117.40 2ka5 h GLU 94 Ca -0.45 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 2ka5 h GLU 94 Cb 1.30 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 2ka5 h GLU 94 CO 0.44 0.45 0.22 -0.22 -0.73 0.00 0.00 179.01 179.16 2ka5 h LYS 95 N 0.44 0.99 -0.26 1.92 3.11 -1.89 -1.97 116.57 118.91 2ka5 h LYS 95 Ca 0.10 -0.20 -0.13 0.00 -2.81 0.00 0.00 60.65 57.60 2ka5 h LYS 95 Cb 0.23 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2ka5 h LYS 95 CO 0.00 0.86 -0.37 0.28 -2.81 0.00 0.00 179.45 177.42 2ka5 h VAL 96 N 0.93 1.31 -0.10 2.00 2.07 -1.57 -3.28 116.25 117.60 2ka5 h VAL 96 Ca 0.21 -1.56 0.03 0.00 0.82 0.00 0.00 66.70 66.20 2ka5 h VAL 96 Cb 0.27 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2ka5 h VAL 96 CO -0.01 0.49 0.08 -0.33 0.02 0.00 0.00 177.57 177.83 2ka5 h GLU 97 N 0.42 0.00 0.11 1.57 5.08 -1.14 -0.39 114.58 120.24 2ka5 h GLU 97 Ca 0.03 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2ka5 h GLU 97 Cb 0.95 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 2ka5 h GLU 97 CO 0.08 0.00 -0.51 -0.09 -1.00 0.00 0.00 179.01 177.50 2ka5 h ARG 98 N 0.00 -0.70 -0.28 2.33 1.12 -1.47 -1.68 114.38 113.71 2ka5 h ARG 98 Ca 0.05 0.05 -0.18 0.00 -1.11 0.00 0.00 59.98 58.79 2ka5 h ARG 98 Cb 0.21 0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.33 2ka5 h ARG 98 CO -0.00 -0.46 -0.53 0.28 -3.11 0.00 0.00 179.97 176.15 2ka5 h VAL 99 N -0.72 1.28 0.00 0.20 2.07 -1.29 -1.45 116.25 116.34 2ka5 h VAL 99 Ca -0.01 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2ka5 h VAL 99 Cb 0.73 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2ka5 h VAL 99 CO -0.28 0.56 0.00 -0.07 0.02 0.00 0.00 177.57 177.80 2ka5 h LEU 100 N 0.63 0.00 0.07 2.57 3.38 -0.96 0.30 115.31 121.30 2ka5 h LEU 100 Ca 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 2ka5 h LEU 100 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2ka5 h LEU 100 CO 0.11 0.00 -1.21 0.28 0.09 0.00 0.00 178.44 177.71 2ka5 h SER 101 N 0.00 0.23 0.74 -0.43 0.02 -0.31 -0.05 113.55 113.75 2ka5 h SER 101 Ca 0.00 -0.78 -0.04 0.00 -0.84 0.00 0.00 61.79 60.13 2ka5 h SER 101 Cb 0.07 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2ka5 h SER 101 CO 0.00 1.51 -0.37 -0.07 -1.14 0.00 0.00 176.83 176.77 2ka5 h LEU 102 N -0.57 -0.88 0.00 5.07 -0.00 -0.70 -3.18 115.31 115.05 2ka5 h LEU 102 Ca -0.28 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2ka5 h LEU 102 Cb 1.55 0.23 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 2ka5 h LEU 102 CO -0.02 -0.61 0.00 1.07 -0.00 0.00 0.00 178.44 178.87 2ka5 n THR 103 N -4.75 0.35 -3.24 0.22 5.66 0.92 -4.91 114.28 108.53 2ka5 n THR 103 Ca -0.13 0.09 -0.21 0.00 -3.05 0.00 0.00 64.05 60.75 2ka5 n THR 103 Cb 0.40 -0.74 0.02 0.00 -1.55 0.00 0.00 70.33 68.46 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 -1.29 -6.62 -0.05 1.09 5.03 -1.20 -5.01 115.26 107.21 2ka5 n ASN 104 Ca 0.10 0.02 -0.09 0.00 0.87 0.00 0.00 54.58 55.48 2ka5 n ASN 104 Cb 0.17 -3.49 -0.03 0.00 -1.02 0.00 0.00 39.78 35.41 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 -0.69 1.46 0.07 3.41 -0.00 -0.07 -4.59 117.00 116.60 2ka5 n LEU 105 Ca -0.03 0.23 0.08 0.00 -0.00 0.00 0.00 56.01 56.30 2ka5 n LEU 105 Cb 0.58 -0.54 0.36 0.00 -0.00 0.00 0.00 43.42 43.82 2ka5 n LEU 105 CO 0.53 -0.24 0.74 -0.67 -0.00 0.00 0.00 177.39 177.75 2ka5 n ASP 106 N -3.96 0.32 -0.48 1.96 2.03 -0.99 -0.81 116.55 114.62 2ka5 n ASP 106 Ca -0.15 0.61 0.12 0.00 0.52 0.00 0.00 54.79 55.88 2ka5 n ASP 106 Cb 0.42 -0.67 0.45 0.00 -0.72 0.00 0.00 41.12 40.61 2ka5 n ASP 106 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ka5 n ARG 107 N -1.89 1.65 0.00 -0.67 1.74 -1.26 -4.41 116.66 111.82 2ka5 n ARG 107 Ca 0.01 -0.96 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 2ka5 n ARG 107 Cb 0.12 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.18 0.00 -4.78 0.55 5.41 -0.17 -5.08 119.36 115.46 2ka5 n ILE 108 Ca 0.17 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.60 2ka5 n ILE 108 Cb 0.32 -0.38 -0.13 0.00 -0.71 0.00 0.00 39.64 38.74 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 -1.54 3.08 0.83 1.39 1.01 0.01 -5.11 120.40 120.06 2ka5 s VAL 109 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 2ka5 s VAL 109 Cb 0.00 -2.24 0.09 0.00 0.00 0.00 0.00 36.38 34.23 2ka5 s VAL 109 CO 0.00 0.51 1.12 -0.54 0.00 0.00 0.00 175.10 176.19 2ka5 s LYS 110 N -0.98 1.73 0.18 2.72 1.02 -1.25 -4.27 119.74 118.87 2ka5 s LYS 110 Ca 0.13 1.36 0.10 0.00 0.02 0.00 0.00 55.97 57.58 2ka5 s LYS 110 Cb -0.11 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 2ka5 s LYS 110 CO 0.03 -2.07 -0.20 0.42 -0.92 0.00 0.00 175.35 172.60 2ka5 s ILE 111 N -2.74 2.01 0.13 2.17 1.09 -1.26 -0.86 121.20 121.73 2ka5 s ILE 111 Ca 0.64 -1.96 -0.09 0.00 -1.10 0.00 0.00 60.65 58.14 2ka5 s ILE 111 Cb -0.20 -1.94 -0.00 0.00 -1.06 0.00 0.00 42.46 39.25 2ka5 s ILE 111 CO 0.56 -0.25 0.25 -0.31 -0.10 0.00 0.00 174.94 175.09 2ka5 s TYR 112 N -1.92 0.28 -0.14 3.97 1.51 -0.01 -4.86 117.35 116.18 2ka5 s TYR 112 Ca 0.18 -0.67 -0.19 0.00 -1.01 0.00 0.00 57.07 55.37 2ka5 s TYR 112 Cb -0.06 -0.05 -0.17 0.00 -0.11 0.00 0.00 41.96 41.56 2ka5 s TYR 112 CO 0.08 -0.65 0.46 0.22 -1.11 0.00 0.00 175.55 174.55 2ka5 h ASP 113 N 2.62 0.00 -3.62 2.29 3.58 -1.94 -3.10 116.42 116.25 2ka5 h ASP 113 Ca -0.33 -0.63 -0.39 0.00 0.42 0.00 0.00 57.03 56.10 2ka5 h ASP 113 Cb 1.22 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.12 2ka5 h ASP 113 CO 0.52 0.89 -0.70 0.42 -2.88 0.00 0.00 179.24 177.49 2ka5 s THR 114 N -2.05 1.36 0.23 2.25 -4.23 -1.26 -2.74 115.64 109.20 2ka5 s THR 114 Ca -0.14 -2.11 -0.05 0.00 -1.18 0.00 0.00 61.69 58.20 2ka5 s THR 114 Cb -0.01 -2.06 0.15 0.00 1.34 0.00 0.00 72.50 71.91 2ka5 s THR 114 CO 0.47 -0.58 1.78 0.40 -0.54 0.00 0.00 174.62 176.15 2ka5 h ILE 115 N 2.60 1.25 0.00 2.99 1.08 -1.99 -2.16 117.51 121.28 2ka5 h ILE 115 Ca -0.38 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.23 2ka5 h ILE 115 Cb 1.21 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 2ka5 h ILE 115 CO 0.64 0.34 0.00 -1.28 -0.69 0.00 0.00 178.15 177.15 2ka5 h SER 116 N 1.01 0.00 1.00 1.72 0.87 -2.00 0.18 113.55 116.34 2ka5 h SER 116 Ca 0.22 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2ka5 h SER 116 Cb 0.29 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2ka5 h SER 116 CO -0.01 0.00 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.19 2ka5 h GLU 117 N 0.00 0.00 0.00 2.24 4.81 -1.81 -3.34 114.58 116.48 2ka5 h GLU 117 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 2ka5 h GLU 117 Cb 0.72 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 2ka5 h GLU 117 CO 0.00 0.02 -2.08 0.00 -0.73 0.00 0.00 179.01 176.23 2ka5 n ALA 118 N -2.11 1.59 -0.22 2.92 0.00 -0.28 -4.31 120.51 118.11 2ka5 n ALA 118 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 53.44 52.59 2ka5 n ALA 118 Cb 0.32 0.06 0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 0.72 0.00 0.00 4.05 -0.84 0.14 114.93 119.00 2ka5 h MET 119 Ca -0.42 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2ka5 h MET 119 Cb 1.66 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.30 2ka5 h MET 119 CO -0.06 0.47 -0.80 -0.85 0.23 0.00 0.00 176.91 175.91 2ka5 n GLU 120 N -4.73 0.03 -0.11 0.39 0.28 -1.26 -4.38 120.64 110.85 2ka5 n GLU 120 Ca 0.06 -0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.83 2ka5 n GLU 120 Cb 0.10 -1.51 -0.10 0.00 1.43 0.00 0.00 31.44 31.35 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 -1.55 0.57 -0.34 3.44 2.13 -0.39 -4.09 120.64 120.41 2ka5 n GLU 121 Ca 0.04 0.47 0.23 0.00 0.66 0.00 0.00 57.16 58.57 2ka5 n GLU 121 Cb 0.34 -1.66 0.49 0.00 0.27 0.00 0.00 31.44 30.88 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 -1.00 0.48 -0.53 6.31 3.04 -1.03 0.37 116.25 123.88 2ka5 h VAL 122 Ca -0.43 -0.14 0.10 0.00 -1.01 0.00 0.00 66.70 65.21 2ka5 h VAL 122 Cb 1.36 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.64 2ka5 h VAL 122 CO -0.26 0.07 0.36 0.03 -1.01 0.00 0.00 177.57 176.76 2ka5 h ARG 123 N 0.41 0.30 0.00 4.17 3.08 -1.77 -3.24 114.38 117.33 2ka5 h ARG 123 Ca 0.64 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.51 2ka5 h ARG 123 Cb 1.55 -0.07 -0.34 0.00 0.08 0.00 0.00 29.97 31.18 2ka5 h ARG 123 CO -0.37 0.20 -0.97 0.54 -1.07 0.00 0.00 179.97 178.30 2ka5 n ARG 124 N -4.46 0.10 0.00 0.04 3.00 0.80 -5.11 116.66 111.02 2ka5 n ARG 124 Ca 0.09 -2.03 0.00 0.00 -0.01 0.00 0.00 57.85 55.90 2ka5 n ARG 124 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 32.46 32.71 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99