#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 n GLY 2 N 0.00 -0.48 3.28 3.03 0.00 -1.26 -4.97 105.19 104.80 2ka5 n GLY 2 Ca 0.00 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.86 -1.29 1.16 1.61 1.04 -1.26 -5.04 113.70 107.07 2ka5 s SER 3 Ca 0.49 0.80 -0.15 0.00 0.48 0.00 0.00 55.95 57.57 2ka5 s SER 3 Cb -0.26 -1.10 0.27 0.00 0.10 0.00 0.00 66.02 65.03 2ka5 s SER 3 CO 0.60 -5.49 1.04 1.51 0.98 0.00 0.00 173.24 171.88 2ka5 s ASP 4 N -3.21 1.14 0.12 7.02 -4.77 -1.26 -4.99 116.67 110.72 2ka5 s ASP 4 Ca 0.69 1.21 -0.31 0.00 -3.30 0.00 0.00 52.55 50.84 2ka5 s ASP 4 Cb -0.12 -1.86 -0.08 0.00 -1.09 0.00 0.00 42.92 39.76 2ka5 s ASP 4 CO 0.57 -4.06 1.45 -0.75 0.70 0.00 0.00 175.17 173.09 2ka5 s LYS 5 N -4.79 4.28 -0.13 2.11 2.47 -1.26 -4.96 119.74 117.46 2ka5 s LYS 5 Ca 0.68 2.16 -0.08 0.00 -1.56 0.00 0.00 55.97 57.16 2ka5 s LYS 5 Cb -0.20 -3.27 -0.03 0.00 -1.46 0.00 0.00 37.83 32.87 2ka5 s LYS 5 CO 0.61 -0.51 -0.16 -0.89 0.16 0.00 0.00 175.35 174.56 2ka5 n ILE 6 N 4.05 1.30 -2.68 5.43 2.08 -1.26 -5.09 119.36 123.19 2ka5 n ILE 6 Ca 0.12 0.24 -0.02 0.00 0.56 0.00 0.00 62.75 63.65 2ka5 n ILE 6 Cb 0.41 -2.32 -0.02 0.00 -0.75 0.00 0.00 39.64 36.96 2ka5 n ILE 6 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 2ka5 n HIS 7 N -4.43 -2.49 -0.63 1.39 -0.00 -1.26 -4.99 115.22 102.81 2ka5 n HIS 7 Ca -0.07 1.46 -0.31 0.00 -0.00 0.00 0.00 57.72 58.81 2ka5 n HIS 7 Cb 0.24 -2.58 0.19 0.00 -0.00 0.00 0.00 29.99 27.84 2ka5 n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ka5 n HIS 8 N 2.07 0.20 -1.56 1.57 -0.00 -1.26 -5.00 115.22 111.23 2ka5 n HIS 8 Ca -0.18 0.26 -0.29 0.00 0.46 0.00 0.00 57.72 57.96 2ka5 n HIS 8 Cb 0.28 -1.91 0.11 0.00 -0.12 0.00 0.00 29.99 28.35 2ka5 n HIS 8 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ka5 s HIS 9 N -2.57 2.73 1.10 1.57 3.76 -1.26 -5.06 115.29 115.57 2ka5 s HIS 9 Ca 0.67 1.03 -0.17 0.00 -0.15 0.00 0.00 55.06 56.44 2ka5 s HIS 9 Cb -0.23 -3.23 0.24 0.00 1.11 0.00 0.00 32.58 30.47 2ka5 s HIS 9 CO 0.60 -1.97 1.14 -3.38 -0.85 0.00 0.00 174.74 170.28 2ka5 s HIS 10 N -3.21 1.19 -0.08 1.40 -3.43 -1.26 -4.83 115.29 105.07 2ka5 s HIS 10 Ca 0.62 0.61 -0.06 0.00 -0.80 0.00 0.00 55.06 55.43 2ka5 s HIS 10 Cb -0.14 -3.50 0.02 0.00 -1.43 0.00 0.00 32.58 27.53 2ka5 s HIS 10 CO 0.54 -3.36 0.11 0.72 -2.00 0.00 0.00 174.74 170.75 2ka5 n HIS 11 N -4.40 -3.62 -4.09 0.38 8.25 -1.26 -5.11 115.22 105.37 2ka5 n HIS 11 Ca 0.11 2.13 -0.10 0.00 -0.26 0.00 0.00 57.72 59.60 2ka5 n HIS 11 Cb 0.59 -3.24 -0.09 0.00 1.12 0.00 0.00 29.99 28.37 2ka5 n HIS 11 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ka5 s HIS 12 N -0.49 0.74 0.48 4.41 -0.00 -1.26 -5.18 115.29 113.98 2ka5 s HIS 12 Ca -0.13 -1.08 0.03 0.00 -0.00 0.00 0.00 55.06 53.88 2ka5 s HIS 12 Cb 0.01 -0.33 -0.03 0.00 -0.00 0.00 0.00 32.58 32.23 2ka5 s HIS 12 CO 0.35 -0.62 0.01 -1.64 -0.00 0.00 0.00 174.74 172.83 2ka5 s MET 13 N -4.04 2.12 -0.58 -0.38 -1.94 -1.26 -5.12 119.30 108.11 2ka5 s MET 13 Ca 0.24 -2.31 -0.11 0.00 -1.71 0.00 0.00 55.69 51.80 2ka5 s MET 13 Cb 0.06 -1.55 0.15 0.00 2.01 0.00 0.00 34.83 35.49 2ka5 s MET 13 CO 0.03 -0.27 0.47 -0.06 -0.01 0.00 0.00 175.02 175.18 2ka5 s PHE 14 N -2.84 3.45 0.00 -0.03 0.08 -1.26 -4.96 117.98 112.42 2ka5 s PHE 14 Ca 0.14 -1.88 -0.05 0.00 0.12 0.00 0.00 56.93 55.27 2ka5 s PHE 14 Cb 0.04 -3.59 -0.22 0.00 -0.57 0.00 0.00 43.02 38.68 2ka5 s PHE 14 CO 0.07 -0.98 3.15 -0.35 -0.10 0.00 0.00 175.22 177.01 2ka5 n PRO 15 N 4.62 1.70 -3.64 0.24 -0.04 -1.26 -4.76 135.00 131.85 2ka5 n PRO 15 Ca -0.03 -0.81 -0.09 0.00 -0.04 0.00 0.00 63.50 62.52 2ka5 n PRO 15 Cb 0.41 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 1.16 -0.35 0.45 0.54 -0.85 -1.26 -1.88 117.35 115.16 2ka5 s TYR 16 Ca 0.55 0.02 0.03 0.00 -0.52 0.00 0.00 57.07 57.15 2ka5 s TYR 16 Cb 0.26 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 43.22 2ka5 s TYR 16 CO 0.00 -1.03 0.09 -1.59 -1.52 0.00 0.00 175.55 171.50 2ka5 s LYS 17 N -3.80 2.05 0.12 -3.49 -2.85 -0.51 -4.99 119.74 106.27 2ka5 s LYS 17 Ca 0.06 -2.28 0.08 0.00 -1.00 0.00 0.00 55.97 52.83 2ka5 s LYS 17 Cb -0.03 -0.91 -0.04 0.00 -2.06 0.00 0.00 37.83 34.79 2ka5 s LYS 17 CO -0.03 -0.46 -0.18 0.42 0.10 0.00 0.00 175.35 175.20 2ka5 s ILE 18 N -3.08 1.60 0.00 3.79 1.01 -1.26 -0.73 121.20 122.52 2ka5 s ILE 18 Ca 0.16 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.17 2ka5 s ILE 18 Cb 0.02 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2ka5 s ILE 18 CO 0.10 -0.21 0.00 1.33 0.00 0.00 0.00 174.94 176.16 2ka5 n VAL 19 N 0.80 0.00 0.00 2.92 0.24 -0.01 -4.93 118.33 117.34 2ka5 n VAL 19 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2ka5 n VAL 19 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2ka5 n VAL 19 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ka5 n ASP 20 N 0.00 0.00 -0.20 -1.34 2.03 -1.26 -4.40 116.55 111.38 2ka5 n ASP 20 Ca 0.00 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2ka5 n ASP 20 Cb 0.00 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2ka5 n ASP 20 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ka5 n ASP 21 N -0.89 0.00 -4.43 1.67 8.00 -1.26 -5.11 116.55 114.53 2ka5 n ASP 21 Ca 0.00 -1.35 -0.32 0.00 0.71 0.00 0.00 54.79 53.83 2ka5 n ASP 21 Cb 0.00 -0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka5 s VAL 22 N 0.00 2.79 -0.13 2.53 1.01 -1.26 -4.47 120.40 120.86 2ka5 s VAL 22 Ca 0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 2ka5 s VAL 22 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2ka5 s VAL 22 CO 0.00 0.58 0.38 -0.69 0.00 0.00 0.00 175.10 175.37 2ka5 s VAL 23 N -0.70 5.24 -0.61 2.92 1.01 -0.37 -0.83 120.40 127.05 2ka5 s VAL 23 Ca 0.11 0.74 -0.08 0.00 0.00 0.00 0.00 61.98 62.75 2ka5 s VAL 23 Cb -0.10 -3.72 0.16 0.00 0.00 0.00 0.00 36.38 32.72 2ka5 s VAL 23 CO 0.00 0.37 0.49 -0.63 0.00 0.00 0.00 175.10 175.33 2ka5 s ILE 24 N 0.44 4.41 0.11 2.22 -1.09 0.09 -0.47 121.20 126.91 2ka5 s ILE 24 Ca 0.21 -2.35 -0.30 0.00 -2.23 0.00 0.00 60.65 55.98 2ka5 s ILE 24 Cb -0.14 -3.84 -0.06 0.00 -1.58 0.00 0.00 42.46 36.84 2ka5 s ILE 24 CO 0.07 -0.88 1.04 -0.76 -1.23 0.00 0.00 174.94 173.19 2ka5 s LEU 25 N 0.58 4.46 -0.39 2.97 1.43 -0.80 -1.42 118.68 125.51 2ka5 s LEU 25 Ca 0.13 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 55.13 2ka5 s LEU 25 Cb -0.20 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.55 2ka5 s LEU 25 CO -0.04 -0.20 0.19 -0.04 0.23 0.00 0.00 176.35 176.50 2ka5 s MET 26 N 0.18 1.05 0.00 1.70 -1.94 -0.79 -2.22 119.30 117.28 2ka5 s MET 26 Ca 0.50 -1.66 -0.02 0.00 -1.71 0.00 0.00 55.69 52.79 2ka5 s MET 26 Cb -0.26 -2.14 -0.11 0.00 2.01 0.00 0.00 34.83 34.33 2ka5 s MET 26 CO 0.31 -1.11 2.50 -0.35 -0.01 0.00 0.00 175.02 176.36 2ka5 n PRO 27 N 3.98 1.32 -1.49 2.03 -0.04 -1.26 -4.66 135.00 134.88 2ka5 n PRO 27 Ca 0.06 -0.42 -0.16 0.00 -0.04 0.00 0.00 63.50 62.94 2ka5 n PRO 27 Cb 0.37 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 2ka5 n PRO 27 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ka5 n ASN 28 N 2.01 -0.04 -3.22 3.54 2.04 -1.26 -3.14 115.26 115.20 2ka5 n ASN 28 Ca 0.18 -1.10 -0.20 0.00 -0.44 0.00 0.00 54.58 53.03 2ka5 n ASN 28 Cb 0.63 -1.06 -0.04 0.00 -2.53 0.00 0.00 39.78 36.78 2ka5 n ASN 28 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 2ka5 n LYS 29 N 6.91 -1.64 0.00 -3.83 0.00 -0.17 -4.81 118.16 114.61 2ka5 n LYS 29 Ca 0.54 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 2ka5 n LYS 29 Cb 0.30 -3.91 0.00 0.00 -0.00 0.00 0.00 35.03 31.42 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2ka5 n GLU 30 N -2.87 1.70 -1.08 -1.58 0.28 -1.19 -4.89 120.64 111.01 2ka5 n GLU 30 Ca 0.06 -1.12 -0.33 0.00 -0.16 0.00 0.00 57.16 55.60 2ka5 n GLU 30 Cb 0.40 -0.93 -0.03 0.00 1.43 0.00 0.00 31.44 32.31 2ka5 n GLU 30 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2ka5 n LEU 31 N -0.32 5.69 -0.84 -1.84 4.32 -1.26 -4.77 117.00 117.97 2ka5 n LEU 31 Ca 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 56.01 52.66 2ka5 n LEU 31 Cb 0.22 -1.26 0.00 0.00 -1.62 0.00 0.00 43.42 40.76 2ka5 n LEU 31 CO 0.00 0.70 0.40 -0.46 -1.22 0.00 0.00 177.39 176.81 2ka5 n ASN 32 N 5.17 2.23 0.00 -1.43 0.23 -1.26 -4.86 115.26 115.35 2ka5 n ASN 32 Ca 0.53 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.70 2ka5 n ASN 32 Cb 0.25 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 2ka5 n ASN 32 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2ka5 n ILE 33 N 0.37 0.00 0.31 1.53 2.08 -1.26 -4.25 119.36 118.14 2ka5 n ILE 33 Ca 0.00 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.47 2ka5 n ILE 33 Cb 0.40 0.00 0.63 0.00 -0.75 0.00 0.00 39.64 39.92 2ka5 n ILE 33 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2ka5 h GLU 34 N 0.00 0.00 -0.63 0.38 5.08 -1.96 -0.30 114.58 117.15 2ka5 h GLU 34 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2ka5 h GLU 34 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 2ka5 h GLU 34 CO 0.00 0.00 -0.12 -0.97 -1.00 0.00 0.00 179.01 176.92 2ka5 h ASN 35 N 0.00 -0.51 -0.46 1.42 -0.73 -1.87 -1.38 115.58 112.06 2ka5 h ASN 35 Ca 0.00 0.18 -0.07 0.00 1.87 0.00 0.00 56.30 58.28 2ka5 h ASN 35 Cb 0.48 0.36 -0.02 0.00 0.27 0.00 0.00 38.32 39.41 2ka5 h ASN 35 CO 0.00 -0.19 0.05 0.00 -0.37 0.00 0.00 177.43 176.92 2ka5 h ALA 36 N 1.61 1.12 0.11 1.57 0.00 -1.40 0.35 119.26 122.62 2ka5 h ALA 36 Ca 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2ka5 h ALA 36 Cb 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ka5 h ALA 36 CO -0.62 0.57 -0.05 1.25 0.00 0.00 0.00 179.25 180.40 2ka5 h HIS 37 N 0.79 -0.14 0.00 0.00 2.76 -1.18 -2.94 115.15 114.44 2ka5 h HIS 37 Ca 0.16 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2ka5 h HIS 37 Cb 0.40 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2ka5 h HIS 37 CO 0.02 -0.00 -0.14 1.37 -1.30 0.00 0.00 177.93 177.88 2ka5 h LEU 38 N -0.24 0.00 -0.76 0.26 -0.00 -1.25 -3.37 115.31 109.94 2ka5 h LEU 38 Ca -0.02 -0.04 0.15 0.00 -0.00 0.00 0.00 57.88 57.97 2ka5 h LEU 38 Cb 0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 40.71 2ka5 h LEU 38 CO 0.02 0.02 -0.22 0.15 -0.00 0.00 0.00 178.44 178.41 2ka5 h PHE 39 N 0.00 -0.51 0.31 0.17 3.57 -0.73 0.30 116.94 120.06 2ka5 h PHE 39 Ca 0.00 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2ka5 h PHE 39 Cb 0.79 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2ka5 h PHE 39 CO 0.00 -0.34 -0.15 -0.22 -2.23 0.00 0.00 178.31 175.37 2ka5 h LYS 40 N -0.02 -0.40 -0.46 1.11 3.11 -1.72 0.27 116.57 118.45 2ka5 h LYS 40 Ca 0.35 0.03 0.03 0.00 -2.81 0.00 0.00 60.65 58.25 2ka5 h LYS 40 Cb 0.57 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.85 2ka5 h LYS 40 CO -0.79 -0.25 0.26 -0.22 -2.81 0.00 0.00 179.45 175.64 2ka5 h LYS 41 N -0.45 0.50 0.30 1.90 3.11 -1.28 -0.62 116.57 120.03 2ka5 h LYS 41 Ca -0.04 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.75 2ka5 h LYS 41 Cb 0.34 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2ka5 h LYS 41 CO 0.07 0.33 -0.14 2.35 -2.81 0.00 0.00 179.45 179.25 2ka5 h TRP 42 N 0.52 -0.37 -0.84 1.91 7.01 -0.97 -2.38 115.95 120.82 2ka5 h TRP 42 Ca 0.19 -0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.40 2ka5 h TRP 42 Cb 0.05 0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.18 2ka5 h TRP 42 CO -0.08 -0.23 0.58 0.28 -2.79 0.00 0.00 178.44 176.20 2ka5 h VAL 43 N -0.41 0.64 0.00 2.65 2.07 -0.87 0.10 116.25 120.43 2ka5 h VAL 43 Ca -0.04 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2ka5 h VAL 43 Cb 0.31 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2ka5 h VAL 43 CO 0.07 0.04 0.00 0.49 0.02 0.00 0.00 177.57 178.18 2ka5 n PHE 44 N -4.40 0.00 0.17 1.57 3.01 -0.25 -1.81 117.46 115.75 2ka5 n PHE 44 Ca 0.17 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.66 2ka5 n PHE 44 Cb 0.78 -0.41 0.38 0.00 -0.01 0.00 0.00 39.48 40.22 2ka5 n PHE 44 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2ka5 h ASP 45 N 0.00 0.09 0.73 4.37 3.32 -0.78 0.31 116.42 124.45 2ka5 h ASP 45 Ca 0.00 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.82 2ka5 h ASP 45 Cb 0.00 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2ka5 h ASP 45 CO 0.00 0.36 -0.93 -0.08 -1.72 0.00 0.00 179.24 176.87 2ka5 h GLU 46 N 0.08 0.12 0.00 3.56 4.57 -0.95 -3.35 114.58 118.61 2ka5 h GLU 46 Ca 0.01 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2ka5 h GLU 46 Cb 0.52 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2ka5 h GLU 46 CO 0.04 0.96 0.00 1.19 -1.18 0.00 0.00 179.01 180.01 2ka5 n PHE 47 N -3.56 -1.75 0.46 0.92 3.72 -0.94 -4.71 117.46 111.59 2ka5 n PHE 47 Ca -0.03 0.31 -0.20 0.00 -0.05 0.00 0.00 57.45 57.48 2ka5 n PHE 47 Cb 0.85 0.52 -0.10 0.00 -0.94 0.00 0.00 39.48 39.81 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 -1.42 4.37 3.38 -0.37 0.13 115.31 120.25 2ka5 h LEU 48 Ca 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ka5 h LEU 48 Cb 0.00 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2ka5 h LEU 48 CO 0.00 -0.75 0.30 0.78 0.09 0.00 0.00 178.44 178.86 2ka5 h ASN 49 N -1.22 0.61 -0.66 -0.43 2.35 -0.72 -1.88 115.58 113.64 2ka5 h ASN 49 Ca -0.11 -0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2ka5 h ASN 49 Cb 0.96 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.13 2ka5 h ASN 49 CO 0.15 0.47 0.44 0.50 -1.65 0.00 0.00 177.43 177.34 2ka5 h LYS 50 N 0.70 0.52 0.00 0.81 3.64 -1.49 -3.46 116.57 117.28 2ka5 h LYS 50 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2ka5 h LYS 50 Cb -0.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2ka5 h LYS 50 CO -0.03 0.34 0.00 0.41 -2.27 0.00 0.00 179.45 177.90 2ka5 n GLY 51 N -1.49 0.90 3.85 5.01 0.00 -0.31 -5.03 105.19 108.12 2ka5 n GLY 51 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.56 3.38 0.00 1.61 2.02 -0.12 -5.01 117.35 117.68 2ka5 s TYR 52 Ca 0.00 1.36 0.00 0.00 -0.37 0.00 0.00 57.07 58.06 2ka5 s TYR 52 Cb 0.00 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 2ka5 s TYR 52 CO 0.00 -0.94 0.47 0.09 -1.57 0.00 0.00 175.55 173.60 2ka5 n ASN 53 N -2.88 0.00 -3.65 2.29 4.13 -1.26 -4.41 115.26 109.47 2ka5 n ASN 53 Ca 0.07 -1.09 -0.23 0.00 1.68 0.00 0.00 54.58 55.00 2ka5 n ASN 53 Cb 0.54 -0.02 -0.17 0.00 -1.54 0.00 0.00 39.78 38.59 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 0.00 0.08 0.15 3.52 1.02 -1.26 -1.03 119.74 122.22 2ka5 s LYS 54 Ca 0.00 0.10 0.10 0.00 0.02 0.00 0.00 55.97 56.19 2ka5 s LYS 54 Cb 0.00 -1.26 -0.04 0.00 -0.52 0.00 0.00 37.83 36.01 2ka5 s LYS 54 CO 0.00 -0.51 -0.23 0.42 -0.92 0.00 0.00 175.35 174.11 2ka5 s ILE 55 N 2.12 2.11 0.16 2.17 1.09 -1.16 -1.23 121.20 126.45 2ka5 s ILE 55 Ca 0.03 -1.85 0.04 0.00 -1.10 0.00 0.00 60.65 57.78 2ka5 s ILE 55 Cb -0.14 -1.93 -0.05 0.00 -1.06 0.00 0.00 42.46 39.28 2ka5 s ILE 55 CO -0.06 -0.09 -0.09 -0.36 -0.10 0.00 0.00 174.94 174.24 2ka5 s PHE 56 N -1.49 1.32 -0.13 3.97 0.08 0.38 -3.07 117.98 119.03 2ka5 s PHE 56 Ca 0.15 -0.78 -0.00 0.00 0.12 0.00 0.00 56.93 56.43 2ka5 s PHE 56 Cb -0.08 -0.68 0.03 0.00 -0.57 0.00 0.00 43.02 41.71 2ka5 s PHE 56 CO 0.07 0.07 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.00 2ka5 s LEU 57 N -3.19 1.42 0.20 -0.37 2.96 -0.71 -1.90 118.68 117.09 2ka5 s LEU 57 Ca 0.18 -0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 53.40 2ka5 s LEU 57 Cb 0.03 -0.98 -0.08 0.00 0.50 0.00 0.00 46.19 45.66 2ka5 s LEU 57 CO 0.02 -0.10 0.88 -0.69 -1.32 0.00 0.00 176.35 175.13 2ka5 s VAL 58 N 1.62 4.23 -0.79 1.68 1.01 -0.94 -0.29 120.40 126.91 2ka5 s VAL 58 Ca 0.04 1.94 0.09 0.00 0.00 0.00 0.00 61.98 64.05 2ka5 s VAL 58 Cb -0.13 -4.26 0.23 0.00 0.00 0.00 0.00 36.38 32.22 2ka5 s VAL 58 CO -0.09 0.49 1.16 0.18 0.00 0.00 0.00 175.10 176.83 2ka5 n LEU 59 N 1.68 2.63 0.07 3.92 4.77 -0.03 -4.30 117.00 125.73 2ka5 n LEU 59 Ca -0.03 -1.88 -0.10 0.00 -0.03 0.00 0.00 56.01 53.97 2ka5 n LEU 59 Cb 0.48 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2ka5 n LEU 59 CO 0.49 0.65 0.29 0.28 -1.33 0.00 0.00 177.39 177.76 2ka5 h SER 60 N 1.65 0.38 -0.54 -1.43 0.02 -1.78 -3.30 113.55 108.55 2ka5 h SER 60 Ca 0.00 -0.28 -0.29 0.00 -0.84 0.00 0.00 61.79 60.38 2ka5 h SER 60 Cb 0.65 -0.12 -0.17 0.00 0.14 0.00 0.00 62.40 62.91 2ka5 h SER 60 CO 0.00 1.05 0.36 -0.67 -1.14 0.00 0.00 176.83 176.43 2ka5 n ASP 61 N -3.76 3.60 -3.78 3.07 -0.08 -1.26 -4.77 116.55 109.57 2ka5 n ASP 61 Ca -0.04 -2.88 -0.07 0.00 -1.51 0.00 0.00 54.79 50.29 2ka5 n ASP 61 Cb 0.76 -0.70 -0.02 0.00 2.34 0.00 0.00 41.12 43.50 2ka5 n ASP 61 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2ka5 s VAL 62 N -1.83 0.00 0.00 5.18 0.11 -1.24 -1.00 120.40 121.63 2ka5 s VAL 62 Ca 0.31 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 2ka5 s VAL 62 Cb 0.26 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2ka5 s VAL 62 CO 0.06 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.04 2ka5 n GLU 63 N -0.47 0.00 -4.16 1.54 2.13 -1.26 -4.99 120.64 113.43 2ka5 n GLU 63 Ca -0.05 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.65 2ka5 n GLU 63 Cb 0.59 -0.39 -0.08 0.00 0.27 0.00 0.00 31.44 31.83 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 -4.60 0.34 0.06 4.31 1.04 -1.26 -4.44 113.70 109.14 2ka5 s SER 64 Ca 0.00 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.09 2ka5 s SER 64 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2ka5 s SER 64 CO 0.00 -0.97 -0.05 -0.51 0.98 0.00 0.00 173.24 172.70 2ka5 s ILE 65 N -3.96 0.38 0.58 -1.02 2.07 -1.26 -5.08 121.20 112.92 2ka5 s ILE 65 Ca 0.35 -1.67 -0.17 0.00 -1.41 0.00 0.00 60.65 57.75 2ka5 s ILE 65 Cb 0.04 -1.34 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 2ka5 s ILE 65 CO 0.14 -0.84 1.07 -1.81 -1.91 0.00 0.00 174.94 171.58 2ka5 s ASP 66 N -2.66 5.80 -0.43 4.50 1.01 -1.26 -4.92 116.67 118.72 2ka5 s ASP 66 Ca 0.04 1.88 -0.06 0.00 0.71 0.00 0.00 52.55 55.13 2ka5 s ASP 66 Cb 0.03 -2.54 -0.17 0.00 1.01 0.00 0.00 42.92 41.25 2ka5 s ASP 66 CO -0.06 -1.15 2.89 -1.20 0.21 0.00 0.00 175.17 175.86 2ka5 n SER 67 N -1.83 5.18 0.01 0.27 7.64 -1.26 -2.39 113.62 121.23 2ka5 n SER 67 Ca 0.09 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.62 2ka5 n SER 67 Cb 0.53 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 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 3.00 -0.07 -0.31 1.43 7.35 -1.26 -4.92 117.46 122.68 2ka5 n PHE 68 Ca 0.44 0.01 0.03 0.00 -0.76 0.00 0.00 57.45 57.17 2ka5 n PHE 68 Cb 0.56 0.23 0.22 0.00 0.35 0.00 0.00 39.48 40.84 2ka5 n PHE 68 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2ka5 h SER 69 N 0.00 0.95 -0.99 -2.13 0.02 -1.90 -0.91 113.55 108.60 2ka5 h SER 69 Ca 0.00 -0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.24 2ka5 h SER 69 Cb 0.00 -0.21 -0.14 0.00 0.14 0.00 0.00 62.40 62.19 2ka5 h SER 69 CO 0.00 0.63 0.55 0.25 -1.14 0.00 0.00 176.83 177.12 2ka5 h LEU 70 N 1.09 0.53 0.01 5.07 5.85 -1.83 0.28 115.31 126.31 2ka5 h LEU 70 Ca 0.38 0.17 -0.22 0.00 0.84 0.00 0.00 57.88 59.05 2ka5 h LEU 70 Cb 0.11 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2ka5 h LEU 70 CO -0.13 -0.06 -1.04 1.23 -0.34 0.00 0.00 178.44 178.10 2ka5 h GLY 71 N 0.40 0.07 1.68 3.75 0.00 -1.45 -3.27 103.07 104.25 2ka5 h GLY 71 Ca 0.69 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.71 2ka5 h GLY 71 CO -0.57 0.15 -0.51 -2.08 0.00 0.00 0.00 176.54 173.54 2ka5 h VAL 72 N 0.02 1.34 -0.45 4.60 2.07 -0.94 -2.64 116.25 120.24 2ka5 h VAL 72 Ca -0.04 -1.76 0.06 0.00 0.82 0.00 0.00 66.70 65.78 2ka5 h VAL 72 Cb 1.80 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 33.32 2ka5 h VAL 72 CO 0.15 0.53 0.16 0.40 0.02 0.00 0.00 177.57 178.82 2ka5 h ILE 73 N 0.27 0.85 -0.65 4.57 1.08 -1.26 -0.27 117.51 122.10 2ka5 h ILE 73 Ca 0.01 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2ka5 h ILE 73 Cb 0.99 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 2ka5 h ILE 73 CO 0.08 0.06 0.40 0.58 -0.69 0.00 0.00 178.15 178.59 2ka5 h VAL 74 N 0.33 1.18 0.00 1.67 2.07 -1.57 -2.59 116.25 117.33 2ka5 h VAL 74 Ca 0.21 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2ka5 h VAL 74 Cb 0.21 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2ka5 h VAL 74 CO -0.22 0.18 -0.15 0.78 0.02 0.00 0.00 177.57 178.18 2ka5 h ASN 75 N 0.89 0.00 0.08 0.57 4.21 -0.72 0.38 115.58 121.00 2ka5 h ASN 75 Ca 0.24 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.61 2ka5 h ASN 75 Cb -0.05 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 2ka5 h ASN 75 CO -0.05 0.15 -0.48 0.40 -1.29 0.00 0.00 177.43 176.16 2ka5 h ILE 76 N 0.00 1.32 -0.45 2.81 2.04 -1.00 -2.31 117.51 119.93 2ka5 h ILE 76 Ca -0.00 -1.70 -0.12 0.00 1.00 0.00 0.00 64.86 64.04 2ka5 h ILE 76 Cb 0.30 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2ka5 h ILE 76 CO 0.02 0.52 -0.19 0.25 0.00 0.00 0.00 178.15 178.75 2ka5 h LEU 77 N 0.37 0.94 -0.53 1.44 7.12 -0.91 -1.92 115.31 121.81 2ka5 h LEU 77 Ca 0.02 -0.40 0.08 0.00 0.13 0.00 0.00 57.88 57.71 2ka5 h LEU 77 Cb 0.98 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 40.79 2ka5 h LEU 77 CO 0.09 1.13 0.18 0.11 -0.13 0.00 0.00 178.44 179.81 2ka5 h LYS 78 N 0.75 0.34 0.69 1.25 1.57 -0.94 0.11 116.57 120.34 2ka5 h LYS 78 Ca 0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2ka5 h LYS 78 Cb 0.76 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2ka5 h LYS 78 CO 0.06 0.23 -0.42 1.03 -0.57 0.00 0.00 179.45 179.78 2ka5 h SER 79 N 0.35 -1.06 -0.85 0.86 0.87 -1.16 -2.10 113.55 110.46 2ka5 h SER 79 Ca 0.26 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 2ka5 h SER 79 Cb 0.30 0.31 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 2ka5 h SER 79 CO -0.27 -0.65 0.43 0.40 -0.53 0.00 0.00 176.83 176.21 2ka5 h ILE 80 N -1.04 1.26 -0.89 2.23 2.04 -0.93 -0.08 117.51 120.09 2ka5 h ILE 80 Ca -0.09 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2ka5 h ILE 80 Cb 0.84 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2ka5 h ILE 80 CO 0.09 0.30 0.56 -1.28 0.00 0.00 0.00 178.15 177.82 2ka5 h SER 81 N 1.21 1.05 0.05 1.72 0.87 -0.83 0.39 113.55 118.01 2ka5 h SER 81 Ca 0.30 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.67 2ka5 h SER 81 Cb 0.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2ka5 h SER 81 CO -0.04 0.79 -0.45 0.28 -0.53 0.00 0.00 176.83 176.88 2ka5 h SER 82 N 1.22 0.52 0.04 6.23 0.02 -0.41 -3.31 113.55 117.85 2ka5 h SER 82 Ca 0.32 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2ka5 h SER 82 Cb -0.09 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2ka5 h SER 82 CO -0.06 0.90 -0.02 0.28 -1.14 0.00 0.00 176.83 176.78 2ka5 h SER 83 N 0.39 -0.04 0.00 3.07 0.02 -0.70 -3.49 113.55 112.80 2ka5 h SER 83 Ca 0.03 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2ka5 h SER 83 Cb 0.95 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2ka5 h SER 83 CO 0.08 0.59 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 2ka5 n GLY 84 N 0.66 0.60 0.00 -3.77 0.00 -0.03 -5.10 105.19 97.56 2ka5 n GLY 84 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 4.44 3.17 -0.02 0.00 -0.29 -5.03 105.19 107.47 2ka5 n GLY 85 Ca 0.00 -2.17 -0.16 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.33 1.09 -0.17 1.61 0.40 -0.20 -4.43 117.98 115.96 2ka5 s PHE 86 Ca 0.00 -0.57 -0.17 0.00 -0.60 0.00 0.00 56.93 55.59 2ka5 s PHE 86 Cb 0.00 -0.60 0.05 0.00 0.51 0.00 0.00 43.02 42.97 2ka5 s PHE 86 CO 0.00 0.02 0.47 0.12 0.70 0.00 0.00 175.22 176.53 2ka5 s PHE 87 N -1.98 -0.51 0.26 0.36 5.36 -1.26 -2.99 117.98 117.22 2ka5 s PHE 87 Ca 0.02 1.22 -0.06 0.00 -0.96 0.00 0.00 56.93 57.15 2ka5 s PHE 87 Cb -0.06 0.18 -0.02 0.00 -0.34 0.00 0.00 43.02 42.79 2ka5 s PHE 87 CO 0.01 -0.26 0.35 0.00 -1.46 0.00 0.00 175.22 173.86 2ka5 s ALA 88 N 0.14 0.54 0.35 11.12 0.00 -1.18 -3.50 121.76 129.23 2ka5 s ALA 88 Ca -0.01 -1.34 0.09 0.00 0.00 0.00 0.00 51.96 50.70 2ka5 s ALA 88 Cb -0.03 1.21 -0.06 0.00 0.00 0.00 0.00 23.12 24.24 2ka5 s ALA 88 CO 0.01 -0.75 0.00 -0.51 0.00 0.00 0.00 175.76 174.52 2ka5 s LEU 89 N -3.13 2.93 -0.05 0.00 1.43 -0.23 -1.74 118.68 117.90 2ka5 s LEU 89 Ca 0.30 -1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 2ka5 s LEU 89 Cb 0.02 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 45.02 2ka5 s LEU 89 CO 0.13 -0.27 0.12 -0.69 0.23 0.00 0.00 176.35 175.86 2ka5 s VAL 90 N -2.56 -0.03 -1.26 -1.59 1.01 0.60 -0.49 120.40 116.09 2ka5 s VAL 90 Ca 0.35 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 2ka5 s VAL 90 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 2ka5 s VAL 90 CO 0.19 0.04 0.66 -0.24 0.00 0.00 0.00 175.10 175.75 2ka5 n SER 91 N 3.63 -2.79 -4.59 3.32 2.88 -0.64 -0.85 113.62 114.59 2ka5 n SER 91 Ca -0.20 -0.96 -0.42 0.00 -1.33 0.00 0.00 58.87 55.97 2ka5 n SER 91 Cb 0.55 -3.51 -0.02 0.00 -0.75 0.00 0.00 64.21 60.48 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 -6.10 3.36 0.97 -1.46 0.04 -1.26 -4.09 135.00 126.46 2ka5 s PRO 92 Ca 0.21 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.00 2ka5 s PRO 92 Cb -0.07 -4.12 0.17 0.00 0.04 0.00 0.00 34.50 30.52 2ka5 s PRO 92 CO 0.85 -1.84 1.09 0.54 0.04 0.00 0.00 177.00 177.68 2ka5 s ASN 93 N 4.88 2.78 0.42 6.66 4.22 -1.26 -4.73 114.94 127.90 2ka5 s ASN 93 Ca 0.63 1.58 0.20 0.00 -2.14 0.00 0.00 52.86 53.13 2ka5 s ASN 93 Cb -0.14 -2.24 0.92 0.00 1.28 0.00 0.00 41.25 41.07 2ka5 s ASN 93 CO 0.30 -3.09 1.85 -0.08 -2.04 0.00 0.00 177.10 174.04 2ka5 h GLU 94 N -1.86 0.00 0.00 3.55 4.81 -1.94 -1.06 114.58 118.08 2ka5 h GLU 94 Ca -0.52 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2ka5 h GLU 94 Cb 1.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 2ka5 h GLU 94 CO 0.52 0.29 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.73 2ka5 h LYS 95 N 0.00 0.00 0.00 1.92 1.63 -1.92 0.21 116.57 118.41 2ka5 h LYS 95 Ca -0.00 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 2ka5 h LYS 95 Cb 0.68 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 2ka5 h LYS 95 CO 0.04 0.13 -0.61 0.28 -3.45 0.00 0.00 179.45 175.84 2ka5 h VAL 96 N 0.00 1.32 -0.79 2.00 2.07 -1.58 -3.33 116.25 115.94 2ka5 h VAL 96 Ca -0.00 -2.22 0.15 0.00 0.82 0.00 0.00 66.70 65.45 2ka5 h VAL 96 Cb 0.25 2.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.69 2ka5 h VAL 96 CO 0.02 0.45 0.52 -0.33 0.02 0.00 0.00 177.57 178.25 2ka5 h GLU 97 N -1.00 0.44 -0.33 1.57 4.39 -0.51 0.30 114.58 119.44 2ka5 h GLU 97 Ca -0.17 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2ka5 h GLU 97 Cb 1.12 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2ka5 h GLU 97 CO -0.10 0.29 0.15 0.07 -1.16 0.00 0.00 179.01 178.26 2ka5 h ARG 98 N 0.46 0.48 0.18 2.33 -0.00 -0.77 -1.34 114.38 115.71 2ka5 h ARG 98 Ca 0.39 -0.08 -0.34 0.00 -0.00 0.00 0.00 59.98 59.96 2ka5 h ARG 98 Cb 0.86 -0.08 0.01 0.00 -0.00 0.00 0.00 29.97 30.76 2ka5 h ARG 98 CO -0.14 0.46 -1.64 -0.24 -0.00 0.00 0.00 179.97 178.42 2ka5 h VAL 99 N 0.39 1.07 0.00 0.08 3.04 -1.04 -3.06 116.25 116.72 2ka5 h VAL 99 Ca 0.11 -2.63 -0.01 0.00 -1.01 0.00 0.00 66.70 63.16 2ka5 h VAL 99 Cb 0.15 2.82 -0.00 0.00 -2.01 0.00 0.00 31.29 32.25 2ka5 h VAL 99 CO -0.01 0.84 -0.03 -0.07 -1.01 0.00 0.00 177.57 177.29 2ka5 h LEU 100 N 0.11 0.00 -2.46 3.16 4.07 -0.53 0.11 115.31 119.77 2ka5 h LEU 100 Ca -0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2ka5 h LEU 100 Cb 2.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.83 2ka5 h LEU 100 CO 0.20 0.03 0.00 -0.24 -1.08 0.00 0.00 178.44 177.34 2ka5 n SER 101 N -3.67 3.20 -0.07 -0.43 2.88 -0.51 -0.62 113.62 114.39 2ka5 n SER 101 Ca -0.03 -1.92 -0.10 0.00 -1.33 0.00 0.00 58.87 55.49 2ka5 n SER 101 Cb 0.12 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.25 2ka5 n SER 101 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ka5 n LEU 102 N 1.12 2.76 -0.72 2.46 4.77 -0.61 -4.75 117.00 122.03 2ka5 n LEU 102 Ca 0.16 -0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.20 2ka5 n LEU 102 Cb 0.51 -0.45 0.32 0.00 -2.33 0.00 0.00 43.42 41.47 2ka5 n LEU 102 CO 0.12 0.71 0.75 1.07 -1.33 0.00 0.00 177.39 178.72 2ka5 n THR 103 N -2.89 0.03 -2.92 -5.08 5.66 0.28 -4.98 114.28 104.37 2ka5 n THR 103 Ca -0.25 -0.38 -0.11 0.00 -3.05 0.00 0.00 64.05 60.25 2ka5 n THR 103 Cb 0.78 0.95 0.01 0.00 -1.55 0.00 0.00 70.33 70.52 2ka5 n THR 103 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ka5 n ASN 104 N 0.75 -7.71 0.05 1.09 3.02 -1.24 -5.03 115.26 106.18 2ka5 n ASN 104 Ca 0.17 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 2ka5 n ASN 104 Cb 0.47 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.62 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2ka5 n LEU 105 N -0.31 0.31 0.29 3.41 -0.00 0.20 -4.73 117.00 116.18 2ka5 n LEU 105 Ca 0.10 0.16 0.19 0.00 -0.00 0.00 0.00 56.01 56.46 2ka5 n LEU 105 Cb 0.48 -0.01 1.01 0.00 -0.00 0.00 0.00 43.42 44.90 2ka5 n LEU 105 CO 0.49 -0.52 1.08 -2.24 -0.00 0.00 0.00 177.39 176.20 2ka5 h ASP 106 N 0.00 0.00 0.05 1.96 2.03 -1.42 -0.78 116.42 118.26 2ka5 h ASP 106 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ka5 h ASP 106 Cb 0.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 2ka5 h ASP 106 CO 0.00 0.00 -0.86 -2.11 -1.03 0.00 0.00 179.24 175.24 2ka5 n ARG 107 N -2.82 0.21 -0.08 4.15 -4.01 -1.26 -4.35 116.66 108.50 2ka5 n ARG 107 Ca -0.02 -0.17 -0.10 0.00 -1.04 0.00 0.00 57.85 56.52 2ka5 n ARG 107 Cb 0.08 -1.50 -0.08 0.00 -3.04 0.00 0.00 32.46 27.92 2ka5 n ARG 107 CO 0.00 0.00 0.00 -0.89 -3.04 0.00 0.00 177.63 173.70 2ka5 n ILE 108 N -1.25 0.91 -4.78 8.89 5.41 -0.47 -5.01 119.36 123.07 2ka5 n ILE 108 Ca 0.05 -0.39 -0.29 0.00 1.00 0.00 0.00 62.75 63.12 2ka5 n ILE 108 Cb 0.35 -0.99 -0.14 0.00 -0.71 0.00 0.00 39.64 38.15 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 -2.32 2.08 0.82 1.39 1.01 -0.42 -5.05 120.40 117.91 2ka5 s VAL 109 Ca -0.19 -1.43 -0.11 0.00 0.00 0.00 0.00 61.98 60.26 2ka5 s VAL 109 Cb 0.05 -1.80 0.09 0.00 0.00 0.00 0.00 36.38 34.72 2ka5 s VAL 109 CO 0.40 0.29 1.10 -0.54 0.00 0.00 0.00 175.10 176.35 2ka5 s LYS 110 N -1.38 1.82 -0.01 2.72 -0.14 -1.23 -4.53 119.74 117.00 2ka5 s LYS 110 Ca 0.11 1.17 -0.03 0.00 -1.36 0.00 0.00 55.97 55.86 2ka5 s LYS 110 Cb -0.10 -1.85 -0.00 0.00 -1.68 0.00 0.00 37.83 34.20 2ka5 s LYS 110 CO 0.03 -1.95 0.06 0.42 -0.76 0.00 0.00 175.35 173.15 2ka5 s ILE 111 N -2.86 0.04 0.18 2.17 1.09 -1.26 -1.06 121.20 119.50 2ka5 s ILE 111 Ca 0.63 -0.34 -0.06 0.00 -1.10 0.00 0.00 60.65 59.78 2ka5 s ILE 111 Cb -0.18 -0.21 -0.02 0.00 -1.06 0.00 0.00 42.46 40.99 2ka5 s ILE 111 CO 0.57 -0.18 0.22 -0.31 -0.10 0.00 0.00 174.94 175.14 2ka5 s TYR 112 N -0.57 0.68 -0.10 3.97 2.02 0.36 -4.87 117.35 118.83 2ka5 s TYR 112 Ca -0.06 -1.01 -0.18 0.00 -0.37 0.00 0.00 57.07 55.45 2ka5 s TYR 112 Cb -0.04 -0.24 -0.28 0.00 -0.40 0.00 0.00 41.96 41.01 2ka5 s TYR 112 CO 0.00 -0.69 0.62 0.22 -1.57 0.00 0.00 175.55 174.12 2ka5 h ASP 113 N 2.60 0.36 -2.91 2.29 3.58 -1.92 -1.71 116.42 118.70 2ka5 h ASP 113 Ca -0.33 -0.86 -0.56 0.00 0.42 0.00 0.00 57.03 55.70 2ka5 h ASP 113 Cb 1.23 -0.12 -0.13 0.00 1.72 0.00 0.00 39.33 42.03 2ka5 h ASP 113 CO 0.50 1.54 -0.52 0.42 -2.88 0.00 0.00 179.24 178.29 2ka5 s THR 114 N -2.45 0.71 0.04 2.25 -4.23 -1.26 -1.79 115.64 108.91 2ka5 s THR 114 Ca -0.19 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.15 2ka5 s THR 114 Cb 0.03 -2.38 -0.21 0.00 1.34 0.00 0.00 72.50 71.29 2ka5 s THR 114 CO 0.77 0.00 1.18 0.40 -0.54 0.00 0.00 174.62 176.42 2ka5 h ILE 115 N 1.78 1.36 0.00 2.99 1.08 -1.97 -3.25 117.51 119.51 2ka5 h ILE 115 Ca -0.37 -2.04 -0.06 0.00 -0.39 0.00 0.00 64.86 62.00 2ka5 h ILE 115 Cb 1.27 2.37 -0.01 0.00 -3.07 0.00 0.00 36.82 37.39 2ka5 h ILE 115 CO 0.59 0.61 -0.30 -1.28 -0.69 0.00 0.00 178.15 177.09 2ka5 h SER 116 N 0.15 0.00 0.47 1.72 0.87 -1.99 0.14 113.55 114.90 2ka5 h SER 116 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2ka5 h SER 116 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2ka5 h SER 116 CO 0.14 0.30 0.00 -0.08 -0.53 0.00 0.00 176.83 176.66 2ka5 h GLU 117 N 0.00 0.00 0.00 2.24 4.81 -1.97 -3.27 114.58 116.40 2ka5 h GLU 117 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 2ka5 h GLU 117 Cb 0.77 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 2ka5 h GLU 117 CO 0.04 0.00 -1.88 0.00 -0.73 0.00 0.00 179.01 176.44 2ka5 n ALA 118 N -1.86 1.67 -0.23 2.92 0.00 -0.19 -4.32 120.51 118.49 2ka5 n ALA 118 Ca 0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 53.44 52.69 2ka5 n ALA 118 Cb 0.16 0.12 0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 0.92 0.00 0.00 4.05 -0.84 0.57 114.93 119.62 2ka5 h MET 119 Ca -0.35 -0.11 -0.11 0.00 -0.28 0.00 0.00 59.70 58.85 2ka5 h MET 119 Cb 1.57 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 32.17 2ka5 h MET 119 CO -0.05 0.70 -1.49 -0.85 0.23 0.00 0.00 176.91 175.45 2ka5 n GLU 120 N -4.52 0.63 -0.07 0.39 0.28 -1.26 -4.54 120.64 111.55 2ka5 n GLU 120 Ca 0.05 0.10 -0.12 0.00 -0.16 0.00 0.00 57.16 57.03 2ka5 n GLU 120 Cb 0.09 -1.74 -0.10 0.00 1.43 0.00 0.00 31.44 31.12 2ka5 n GLU 120 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2ka5 h GLU 121 N 0.00 0.00 -1.16 3.44 4.57 -1.55 -3.31 114.58 116.57 2ka5 h GLU 121 Ca -0.12 0.00 0.33 0.00 -1.18 0.00 0.00 59.36 58.39 2ka5 h GLU 121 Cb 1.38 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.88 2ka5 h GLU 121 CO 0.02 0.79 0.77 -0.24 -1.18 0.00 0.00 179.01 179.17 2ka5 h VAL 122 N -1.00 0.39 -0.25 0.32 3.04 -1.16 0.13 116.25 117.72 2ka5 h VAL 122 Ca -0.04 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 2ka5 h VAL 122 Cb 0.83 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 2ka5 h VAL 122 CO -0.02 0.04 0.13 0.03 -1.01 0.00 0.00 177.57 176.74 2ka5 h ARG 123 N 0.23 0.34 -0.92 4.17 3.08 -1.78 -3.25 114.38 116.24 2ka5 h ARG 123 Ca 0.65 -0.03 -0.35 0.00 0.07 0.00 0.00 59.98 60.32 2ka5 h ARG 123 Cb 1.98 -0.07 -0.26 0.00 0.08 0.00 0.00 29.97 31.70 2ka5 h ARG 123 CO -0.26 0.26 -0.79 2.89 -1.07 0.00 0.00 179.97 181.00 2ka5 n ARG 124 N -4.46 0.99 0.00 0.04 -4.01 0.08 -5.10 116.66 104.20 2ka5 n ARG 124 Ca 0.01 -2.59 0.00 0.00 -1.04 0.00 0.00 57.85 54.23 2ka5 n ARG 124 Cb 0.10 -1.34 0.00 0.00 -3.04 0.00 0.00 32.46 28.18 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95