#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 n GLY 2 N 0.00 4.04 3.49 3.03 0.00 -1.26 -5.18 105.19 109.31 2ka5 n GLY 2 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 2ka5 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ka5 s SER 3 N 0.00 -0.47 0.14 1.61 0.01 -1.26 -5.12 113.70 108.61 2ka5 s SER 3 Ca 0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2ka5 s SER 3 Cb 0.00 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.84 2ka5 s SER 3 CO 0.00 -1.03 0.00 0.47 0.41 0.00 0.00 173.24 173.09 2ka5 n ASP 4 N -0.38 0.37 -3.55 2.44 9.92 -1.26 -5.07 116.55 119.02 2ka5 n ASP 4 Ca -0.14 0.22 -0.22 0.00 -0.53 0.00 0.00 54.79 54.12 2ka5 n ASP 4 Cb 0.64 0.01 0.02 0.00 -0.64 0.00 0.00 41.12 41.15 2ka5 n ASP 4 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ka5 n LYS 5 N -3.21 -1.33 -3.71 -1.24 5.02 -1.26 -5.00 118.16 107.42 2ka5 n LYS 5 Ca 0.00 0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 56.71 2ka5 n LYS 5 Cb 0.00 -4.10 -0.11 0.00 -0.02 0.00 0.00 35.03 30.80 2ka5 n LYS 5 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ka5 s ILE 6 N -3.23 3.65 -0.27 -0.18 1.01 -1.26 -5.04 121.20 115.87 2ka5 s ILE 6 Ca 0.24 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.04 2ka5 s ILE 6 Cb -0.08 -3.35 0.11 0.00 0.01 0.00 0.00 42.46 39.15 2ka5 s ILE 6 CO 0.84 -0.57 0.62 -2.28 0.00 0.00 0.00 174.94 173.55 2ka5 s HIS 7 N 1.27 -1.17 -0.14 3.97 2.46 -1.26 -5.15 115.29 115.28 2ka5 s HIS 7 Ca 0.05 2.12 -0.04 0.00 0.47 0.00 0.00 55.06 57.66 2ka5 s HIS 7 Cb -0.23 0.67 0.07 0.00 -0.13 0.00 0.00 32.58 32.96 2ka5 s HIS 7 CO -0.01 -0.59 0.23 -1.58 -2.47 0.00 0.00 174.74 170.32 2ka5 s HIS 8 N 2.47 -0.34 0.21 3.88 5.04 -1.26 -5.15 115.29 120.14 2ka5 s HIS 8 Ca -0.07 0.74 -0.21 0.00 -1.54 0.00 0.00 55.06 53.98 2ka5 s HIS 8 Cb -0.10 -0.15 0.04 0.00 0.04 0.00 0.00 32.58 32.41 2ka5 s HIS 8 CO -0.18 -0.39 0.64 -1.58 -2.34 0.00 0.00 174.74 170.89 2ka5 s HIS 9 N 2.37 -0.34 0.34 3.88 5.04 -1.26 -5.17 115.29 120.16 2ka5 s HIS 9 Ca 0.03 0.01 0.00 0.00 -1.54 0.00 0.00 55.06 53.56 2ka5 s HIS 9 Cb -0.13 0.60 0.00 0.00 0.04 0.00 0.00 32.58 33.09 2ka5 s HIS 9 CO -0.09 -1.02 0.00 0.72 -2.34 0.00 0.00 174.74 172.01 2ka5 n HIS 10 N -0.41 -3.54 -2.30 3.88 8.25 -1.26 -4.92 115.22 114.93 2ka5 n HIS 10 Ca -0.11 1.77 -0.19 0.00 -0.26 0.00 0.00 57.72 58.92 2ka5 n HIS 10 Cb 0.62 -3.21 -0.02 0.00 1.12 0.00 0.00 29.99 28.50 2ka5 n HIS 10 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ka5 n HIS 11 N -4.17 -0.94 -2.75 4.41 -0.00 -1.26 -5.01 115.22 105.51 2ka5 n HIS 11 Ca 0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 2ka5 n HIS 11 Cb 0.64 -3.72 -0.06 0.00 -0.00 0.00 0.00 29.99 26.85 2ka5 n HIS 11 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ka5 s HIS 12 N -2.93 3.78 -0.24 1.57 3.76 -1.26 -5.06 115.29 114.90 2ka5 s HIS 12 Ca 0.00 1.82 -0.03 0.00 -0.15 0.00 0.00 55.06 56.70 2ka5 s HIS 12 Cb 0.00 -2.97 0.10 0.00 1.11 0.00 0.00 32.58 30.82 2ka5 s HIS 12 CO 0.00 0.23 0.19 -1.64 -0.85 0.00 0.00 174.74 172.67 2ka5 s MET 13 N -1.73 0.20 -0.93 1.40 -1.94 -1.26 -4.92 119.30 110.12 2ka5 s MET 13 Ca 0.47 -0.14 -0.22 0.00 -1.71 0.00 0.00 55.69 54.09 2ka5 s MET 13 Cb -0.22 -1.18 0.03 0.00 2.01 0.00 0.00 34.83 35.48 2ka5 s MET 13 CO 0.28 -0.85 0.55 1.19 -0.01 0.00 0.00 175.02 176.17 2ka5 n PHE 14 N 5.29 -1.26 -0.21 -0.03 3.72 -1.26 -4.92 117.46 118.79 2ka5 n PHE 14 Ca -0.05 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2ka5 n PHE 14 Cb 0.47 -2.28 0.00 0.00 -0.94 0.00 0.00 39.48 36.73 2ka5 n PHE 14 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ka5 n PRO 15 N -3.88 0.56 -0.63 -1.08 -0.04 -1.26 -4.77 135.00 123.90 2ka5 n PRO 15 Ca -0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2ka5 n PRO 15 Cb 0.49 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.14 2ka5 n PRO 15 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2ka5 n TYR 16 N -0.84 -0.53 -4.19 0.54 0.18 -1.26 -4.51 117.16 106.55 2ka5 n TYR 16 Ca 0.00 0.16 -0.14 0.00 1.88 0.00 0.00 57.90 59.80 2ka5 n TYR 16 Cb 0.00 -1.81 -0.08 0.00 -0.38 0.00 0.00 39.34 37.07 2ka5 n TYR 16 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 2ka5 s LYS 17 N -4.23 1.47 -0.26 -3.48 -2.85 -0.26 -4.92 119.74 105.21 2ka5 s LYS 17 Ca 0.64 -1.71 -0.02 0.00 -1.00 0.00 0.00 55.97 53.89 2ka5 s LYS 17 Cb -0.22 0.33 0.08 0.00 -2.06 0.00 0.00 37.83 35.96 2ka5 s LYS 17 CO 0.63 -0.54 0.07 0.42 0.10 0.00 0.00 175.35 176.03 2ka5 s ILE 18 N -3.82 0.69 0.20 3.79 1.01 -1.26 -0.53 121.20 121.27 2ka5 s ILE 18 Ca 0.37 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 2ka5 s ILE 18 Cb 0.04 -1.38 0.05 0.00 0.01 0.00 0.00 42.46 41.18 2ka5 s ILE 18 CO 0.17 -0.49 0.24 1.33 0.00 0.00 0.00 174.94 176.20 2ka5 n VAL 19 N 4.95 0.00 -0.01 2.92 0.24 0.13 -4.95 118.33 121.61 2ka5 n VAL 19 Ca -0.05 -0.17 -0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2ka5 n VAL 19 Cb 0.44 -1.71 -0.00 0.00 -1.47 0.00 0.00 33.84 31.09 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 -3.21 -0.03 -0.46 -1.34 -0.08 -1.26 -3.00 116.55 107.18 2ka5 n ASP 20 Ca 0.03 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 2ka5 n ASP 20 Cb 0.11 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2ka5 n ASP 20 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2ka5 n ASP 21 N -2.52 0.00 -4.08 1.67 5.75 -1.26 -5.08 116.55 111.03 2ka5 n ASP 21 Ca 0.00 -1.81 -0.25 0.00 -0.01 0.00 0.00 54.79 52.72 2ka5 n ASP 21 Cb 0.01 -0.16 -0.16 0.00 -1.03 0.00 0.00 41.12 39.78 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 1.23 0.27 2.12 1.01 -1.16 -4.50 120.40 119.37 2ka5 s VAL 22 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 2ka5 s VAL 22 Cb 0.00 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2ka5 s VAL 22 CO 0.00 0.37 0.53 0.68 0.00 0.00 0.00 175.10 176.68 2ka5 s VAL 23 N 0.27 5.04 -0.36 2.92 -7.23 -0.61 -0.69 120.40 119.74 2ka5 s VAL 23 Ca -0.08 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2ka5 s VAL 23 Cb -0.12 -3.71 0.13 0.00 0.56 0.00 0.00 36.38 33.24 2ka5 s VAL 23 CO 0.03 -0.26 0.20 -0.63 -0.31 0.00 0.00 175.10 174.13 2ka5 s ILE 24 N -2.01 0.33 -0.08 -0.62 -1.09 0.31 0.35 121.20 118.38 2ka5 s ILE 24 Ca 0.44 -1.72 -0.30 0.00 -2.23 0.00 0.00 60.65 56.84 2ka5 s ILE 24 Cb -0.11 -1.25 -0.05 0.00 -1.58 0.00 0.00 42.46 39.47 2ka5 s ILE 24 CO 0.29 -0.94 1.70 -0.76 -1.23 0.00 0.00 174.94 173.99 2ka5 s LEU 25 N 1.10 4.23 -0.77 2.97 2.01 0.40 -1.11 118.68 127.52 2ka5 s LEU 25 Ca 0.17 2.17 0.03 0.00 0.01 0.00 0.00 54.13 56.50 2ka5 s LEU 25 Cb -0.22 -3.53 0.19 0.00 0.01 0.00 0.00 46.19 42.63 2ka5 s LEU 25 CO -0.04 -1.02 0.59 -0.04 1.01 0.00 0.00 176.35 176.84 2ka5 s MET 26 N 4.25 2.74 0.88 1.70 -1.94 -1.26 -0.40 119.30 125.27 2ka5 s MET 26 Ca 0.75 -3.30 -0.12 0.00 -1.71 0.00 0.00 55.69 51.31 2ka5 s MET 26 Cb -0.33 -3.61 0.12 0.00 2.01 0.00 0.00 34.83 33.02 2ka5 s MET 26 CO 0.31 -1.27 1.12 -1.25 -0.01 0.00 0.00 175.02 173.91 2ka5 s PRO 27 N -1.38 1.41 0.00 2.03 0.04 -1.26 -4.40 135.00 131.45 2ka5 s PRO 27 Ca 0.25 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2ka5 s PRO 27 Cb -0.06 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2ka5 s PRO 27 CO -0.15 -2.04 0.00 0.27 0.04 0.00 0.00 177.00 175.12 2ka5 n ASN 28 N -3.68 0.00 -0.91 6.66 6.94 -1.26 -3.89 115.26 119.12 2ka5 n ASN 28 Ca 0.07 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.72 2ka5 n ASN 28 Cb 0.58 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 38.15 2ka5 n ASN 28 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2ka5 n LYS 29 N 0.00 2.10 0.00 -3.83 4.01 -1.26 -4.47 118.16 114.71 2ka5 n LYS 29 Ca 0.00 -1.95 0.13 0.00 -0.51 0.00 0.00 58.31 55.97 2ka5 n LYS 29 Cb 0.00 -1.41 0.72 0.00 -0.51 0.00 0.00 35.03 33.83 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2ka5 n GLU 30 N 1.17 0.67 0.00 1.97 0.28 -1.26 -4.05 120.64 119.41 2ka5 n GLU 30 Ca 0.15 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2ka5 n GLU 30 Cb 0.51 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.88 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 -1.09 1.16 -3.85 -1.84 4.77 -1.26 -4.75 117.00 110.14 2ka5 n LEU 31 Ca 0.17 -0.58 -0.47 0.00 -0.03 0.00 0.00 56.01 55.10 2ka5 n LEU 31 Cb 0.12 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 2ka5 n LEU 31 CO 0.16 0.25 0.30 0.59 -1.33 0.00 0.00 177.39 177.36 2ka5 n ASN 32 N 0.15 -0.41 -0.23 -1.43 3.02 -1.26 -4.53 115.26 110.57 2ka5 n ASN 32 Ca 0.00 0.99 0.20 0.00 -0.03 0.00 0.00 54.58 55.74 2ka5 n ASN 32 Cb 0.25 -0.80 0.53 0.00 -0.61 0.00 0.00 39.78 39.15 2ka5 n ASN 32 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2ka5 h ILE 33 N 1.93 0.67 -0.28 2.41 2.10 -1.98 0.12 117.51 122.49 2ka5 h ILE 33 Ca -0.36 -0.13 -0.15 0.00 1.08 0.00 0.00 64.86 65.30 2ka5 h ILE 33 Cb 1.24 0.28 -0.01 0.00 -1.09 0.00 0.00 36.82 37.23 2ka5 h ILE 33 CO 0.53 0.07 -0.45 -0.33 -1.08 0.00 0.00 178.15 176.89 2ka5 h GLU 34 N 0.36 0.71 -0.20 2.19 5.08 -1.96 -0.42 114.58 120.36 2ka5 h GLU 34 Ca 0.46 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2ka5 h GLU 34 Cb 1.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2ka5 h GLU 34 CO -0.16 1.02 -0.03 -0.97 -1.00 0.00 0.00 179.01 177.86 2ka5 h ASN 35 N 0.57 0.37 -0.74 1.42 -1.24 -1.39 -3.16 115.58 111.41 2ka5 h ASN 35 Ca 0.04 -0.35 0.12 0.00 0.71 0.00 0.00 56.30 56.82 2ka5 h ASN 35 Cb 1.00 -0.10 -0.08 0.00 0.73 0.00 0.00 38.32 39.87 2ka5 h ASN 35 CO 0.09 0.63 0.33 0.00 -1.29 0.00 0.00 177.43 177.20 2ka5 h ALA 36 N 0.75 1.04 -0.44 1.57 0.00 -0.40 0.39 119.26 122.17 2ka5 h ALA 36 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2ka5 h ALA 36 Cb 0.47 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2ka5 h ALA 36 CO 0.02 -0.13 0.06 1.25 0.00 0.00 0.00 179.25 180.44 2ka5 h HIS 37 N 0.52 0.78 0.00 0.00 -0.00 -1.15 -2.77 115.15 112.53 2ka5 h HIS 37 Ca 0.39 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 2ka5 h HIS 37 Cb 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 2ka5 h HIS 37 CO -0.14 0.75 0.00 1.47 -0.00 0.00 0.00 177.93 180.01 2ka5 n LEU 38 N -4.47 0.81 -0.27 0.26 -0.00 -0.59 -4.06 117.00 108.69 2ka5 n LEU 38 Ca 0.00 0.61 0.07 0.00 -0.00 0.00 0.00 56.01 56.69 2ka5 n LEU 38 Cb 0.25 -0.38 0.21 0.00 -0.00 0.00 0.00 43.42 43.49 2ka5 n LEU 38 CO 0.40 -0.30 1.00 0.15 -0.00 0.00 0.00 177.39 178.64 2ka5 h PHE 39 N 0.00 0.48 -0.46 1.47 3.57 0.04 0.39 116.94 122.44 2ka5 h PHE 39 Ca 0.00 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 2ka5 h PHE 39 Cb 0.65 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2ka5 h PHE 39 CO 0.00 0.01 -0.10 -0.22 -2.23 0.00 0.00 178.31 175.76 2ka5 h LYS 40 N 0.40 0.88 -0.20 1.11 3.11 -1.74 0.91 116.57 121.03 2ka5 h LYS 40 Ca 0.44 -0.33 0.02 0.00 -2.81 0.00 0.00 60.65 57.97 2ka5 h LYS 40 Cb 0.73 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 2ka5 h LYS 40 CO -0.45 0.97 0.08 -0.22 -2.81 0.00 0.00 179.45 177.02 2ka5 h LYS 41 N 0.72 0.18 0.75 1.90 3.64 -0.57 -0.04 116.57 123.14 2ka5 h LYS 41 Ca 0.12 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2ka5 h LYS 41 Cb 0.65 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2ka5 h LYS 41 CO 0.04 0.12 -0.41 2.35 -2.27 0.00 0.00 179.45 179.28 2ka5 h TRP 42 N 0.18 -1.09 -0.93 1.91 7.01 -0.80 -0.61 115.95 121.62 2ka5 h TRP 42 Ca 0.08 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.24 2ka5 h TRP 42 Cb 0.04 0.38 -0.08 0.00 -2.10 0.00 0.00 29.16 27.40 2ka5 h TRP 42 CO -0.11 -0.64 0.60 0.28 -2.79 0.00 0.00 178.44 175.78 2ka5 h VAL 43 N -1.07 0.76 0.44 2.65 2.07 -0.75 0.24 116.25 120.58 2ka5 h VAL 43 Ca -0.10 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2ka5 h VAL 43 Cb 0.84 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2ka5 h VAL 43 CO 0.13 0.12 -0.22 -0.26 0.02 0.00 0.00 177.57 177.35 2ka5 h PHE 44 N 0.64 -0.59 0.08 1.57 -1.00 -0.77 -1.19 116.94 115.68 2ka5 h PHE 44 Ca 0.49 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.25 2ka5 h PHE 44 Cb 0.89 0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.65 2ka5 h PHE 44 CO -0.00 -0.36 -0.04 0.22 -1.61 0.00 0.00 178.31 176.52 2ka5 h ASP 45 N -0.61 -0.09 -0.23 2.17 1.82 -0.31 0.33 116.42 119.51 2ka5 h ASP 45 Ca -0.06 -0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.45 2ka5 h ASP 45 Cb 0.47 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 2ka5 h ASP 45 CO 0.09 -0.03 -0.20 -0.08 -1.61 0.00 0.00 179.24 177.41 2ka5 h GLU 46 N -0.15 0.67 0.00 0.28 4.57 -0.68 -3.32 114.58 115.95 2ka5 h GLU 46 Ca -0.01 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2ka5 h GLU 46 Cb 0.12 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2ka5 h GLU 46 CO 0.02 0.82 0.00 1.19 -1.18 0.00 0.00 179.01 179.86 2ka5 n PHE 47 N -4.13 -1.15 0.27 0.92 3.72 -0.74 -4.58 117.46 111.76 2ka5 n PHE 47 Ca 0.00 0.20 0.12 0.00 -0.05 0.00 0.00 57.45 57.73 2ka5 n PHE 47 Cb 0.40 0.27 0.74 0.00 -0.94 0.00 0.00 39.48 39.95 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 0.00 0.00 4.37 3.38 0.08 -0.19 115.31 122.95 2ka5 h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ka5 h LEU 48 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ka5 h LEU 48 CO 0.00 0.11 -1.55 0.59 0.09 0.00 0.00 178.44 177.67 2ka5 n ASN 49 N -3.72 0.44 0.19 -0.43 3.02 0.10 -3.76 115.26 111.09 2ka5 n ASN 49 Ca -0.02 -0.42 0.14 0.00 -0.03 0.00 0.00 54.58 54.25 2ka5 n ASN 49 Cb 0.21 1.55 0.58 0.00 -0.61 0.00 0.00 39.78 41.51 2ka5 n ASN 49 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2ka5 h LYS 50 N 0.00 0.00 0.00 3.52 1.57 -1.18 -3.47 116.57 117.01 2ka5 h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ka5 h LYS 50 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2ka5 h LYS 50 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2ka5 n GLY 51 N -0.00 0.78 3.78 3.86 0.00 -0.77 -5.05 105.19 107.79 2ka5 n GLY 51 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 3.12 0.00 1.61 2.02 -0.57 -4.98 117.35 116.54 2ka5 s TYR 52 Ca 0.00 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.29 2ka5 s TYR 52 Cb 0.00 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.30 2ka5 s TYR 52 CO 0.00 -1.03 0.56 0.09 -1.57 0.00 0.00 175.55 173.59 2ka5 n ASN 53 N -0.14 0.96 -3.41 2.29 5.03 -1.26 -4.28 115.26 114.46 2ka5 n ASN 53 Ca 0.05 -1.30 -0.20 0.00 0.87 0.00 0.00 54.58 54.01 2ka5 n ASN 53 Cb 0.48 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.15 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 -0.30 0.45 0.14 3.52 1.02 -1.26 -1.02 119.74 122.29 2ka5 s LYS 54 Ca 0.00 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.43 2ka5 s LYS 54 Cb 0.00 -0.81 -0.04 0.00 -0.52 0.00 0.00 37.83 36.46 2ka5 s LYS 54 CO 0.00 -1.11 0.22 0.42 -0.92 0.00 0.00 175.35 173.96 2ka5 s ILE 55 N 1.84 5.05 0.18 2.17 1.09 -1.25 -1.58 121.20 128.70 2ka5 s ILE 55 Ca 0.13 -0.77 0.09 0.00 -1.10 0.00 0.00 60.65 59.00 2ka5 s ILE 55 Cb -0.16 -3.57 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 2ka5 s ILE 55 CO -0.19 -0.06 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.05 2ka5 s PHE 56 N -1.70 1.89 -0.24 3.97 0.08 0.15 -2.35 117.98 119.78 2ka5 s PHE 56 Ca 0.33 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.91 2ka5 s PHE 56 Cb -0.11 -0.92 0.07 0.00 -0.57 0.00 0.00 43.02 41.49 2ka5 s PHE 56 CO 0.27 0.38 0.01 -1.17 -0.10 0.00 0.00 175.22 174.61 2ka5 s LEU 57 N -2.82 2.06 0.72 -0.37 2.96 -0.60 -0.45 118.68 120.18 2ka5 s LEU 57 Ca 0.18 -1.17 -0.11 0.00 -0.22 0.00 0.00 54.13 52.81 2ka5 s LEU 57 Cb -0.05 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.75 2ka5 s LEU 57 CO 0.08 -0.30 1.07 0.68 -1.32 0.00 0.00 176.35 176.55 2ka5 s VAL 58 N 1.60 3.73 -0.00 1.68 -7.23 0.46 -1.35 120.40 119.29 2ka5 s VAL 58 Ca -0.00 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 2ka5 s VAL 58 Cb -0.18 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.42 2ka5 s VAL 58 CO -0.11 -0.73 0.63 0.18 -0.31 0.00 0.00 175.10 174.76 2ka5 n LEU 59 N -3.19 0.04 0.20 1.32 4.77 0.02 -4.23 117.00 115.93 2ka5 n LEU 59 Ca 0.07 -0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 55.68 2ka5 n LEU 59 Cb 0.55 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 2ka5 n LEU 59 CO 0.56 0.07 0.36 0.28 -1.33 0.00 0.00 177.39 177.33 2ka5 h SER 60 N 0.00 -0.45 -0.25 -1.43 0.02 -1.74 -3.37 113.55 106.34 2ka5 h SER 60 Ca 0.00 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2ka5 h SER 60 Cb 1.09 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2ka5 h SER 60 CO 0.00 -0.23 -0.24 -0.78 -1.14 0.00 0.00 176.83 174.44 2ka5 h ASP 61 N -0.71 0.65 -4.25 3.07 3.58 -1.92 -3.45 116.42 113.39 2ka5 h ASP 61 Ca -0.05 -0.47 -0.51 0.00 0.42 0.00 0.00 57.03 56.42 2ka5 h ASP 61 Cb 0.40 -0.18 0.15 0.00 1.72 0.00 0.00 39.33 41.42 2ka5 h ASP 61 CO 0.09 0.99 0.28 0.54 -2.88 0.00 0.00 179.24 178.26 2ka5 s VAL 62 N -4.35 2.97 -0.19 2.25 0.11 -1.25 -4.96 120.40 114.98 2ka5 s VAL 62 Ca -0.13 0.31 -0.15 0.00 -2.93 0.00 0.00 61.98 59.08 2ka5 s VAL 62 Cb 0.08 -2.71 -0.09 0.00 -1.53 0.00 0.00 36.38 32.13 2ka5 s VAL 62 CO 0.81 -0.41 -0.20 1.21 -3.33 0.00 0.00 175.10 173.18 2ka5 n GLU 63 N -3.74 0.52 -0.64 1.54 4.07 -1.26 -4.97 120.64 116.17 2ka5 n GLU 63 Ca 0.09 0.38 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 2ka5 n GLU 63 Cb 0.53 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 2ka5 n GLU 63 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2ka5 n SER 64 N -4.46 0.00 -3.93 4.31 3.41 -1.26 -4.45 113.62 107.23 2ka5 n SER 64 Ca -0.24 -0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 57.73 2ka5 n SER 64 Cb 0.55 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.37 2ka5 n SER 64 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2ka5 s ILE 65 N -2.73 0.10 0.61 -1.33 2.07 -1.26 -5.10 121.20 113.55 2ka5 s ILE 65 Ca 0.00 -0.48 -0.09 0.00 -1.41 0.00 0.00 60.65 58.68 2ka5 s ILE 65 Cb 0.00 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 2ka5 s ILE 65 CO 0.00 -0.24 0.97 -0.62 -1.91 0.00 0.00 174.94 173.14 2ka5 s ASP 66 N -0.75 5.91 0.54 4.50 2.15 -1.26 -4.85 116.67 122.91 2ka5 s ASP 66 Ca -0.08 1.10 0.27 0.00 0.43 0.00 0.00 52.55 54.26 2ka5 s ASP 66 Cb -0.05 -2.13 1.43 0.00 -0.30 0.00 0.00 42.92 41.87 2ka5 s ASP 66 CO -0.00 -0.97 1.98 0.28 -0.17 0.00 0.00 175.17 176.29 2ka5 h SER 67 N -0.26 0.00 0.38 -0.34 0.02 -2.02 -0.96 113.55 110.37 2ka5 h SER 67 Ca -0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 2ka5 h SER 67 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2ka5 h SER 67 CO 0.62 0.00 -0.28 0.15 -1.14 0.00 0.00 176.83 176.18 2ka5 h PHE 68 N 0.00 -0.77 0.00 3.45 3.57 -2.00 -3.00 116.94 118.19 2ka5 h PHE 68 Ca 0.26 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 2ka5 h PHE 68 Cb 1.08 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2ka5 h PHE 68 CO 0.00 -0.40 -0.20 1.03 -2.23 0.00 0.00 178.31 176.51 2ka5 h SER 69 N -0.64 0.00 -0.36 0.41 0.87 -1.83 -2.96 113.55 109.04 2ka5 h SER 69 Ca -0.05 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.61 2ka5 h SER 69 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2ka5 h SER 69 CO 0.02 0.20 0.33 0.25 -0.53 0.00 0.00 176.83 177.10 2ka5 h LEU 70 N 0.00 0.00 0.12 2.23 5.85 -1.13 0.20 115.31 122.58 2ka5 h LEU 70 Ca -0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 2ka5 h LEU 70 Cb 1.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2ka5 h LEU 70 CO 0.03 0.00 -1.51 1.23 -0.34 0.00 0.00 178.44 177.85 2ka5 h GLY 71 N 0.00 0.29 1.01 3.75 0.00 -1.38 -3.32 103.07 103.41 2ka5 h GLY 71 Ca 0.17 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 2ka5 h GLY 71 CO -0.00 0.64 -0.15 -2.08 0.00 0.00 0.00 176.54 174.95 2ka5 h VAL 72 N 0.07 1.28 -0.29 4.60 2.07 -0.71 -0.29 116.25 122.98 2ka5 h VAL 72 Ca -0.23 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.08 2ka5 h VAL 72 Cb 2.01 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.97 2ka5 h VAL 72 CO 0.16 0.42 -0.04 0.40 0.02 0.00 0.00 177.57 178.54 2ka5 h ILE 73 N 0.63 0.74 -0.65 4.57 1.08 -1.00 -0.15 117.51 122.73 2ka5 h ILE 73 Ca 0.10 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.53 2ka5 h ILE 73 Cb 0.69 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 2ka5 h ILE 73 CO 0.05 0.01 0.31 0.58 -0.69 0.00 0.00 178.15 178.40 2ka5 h VAL 74 N 0.03 1.22 -0.74 1.67 2.07 -1.62 -2.79 116.25 116.10 2ka5 h VAL 74 Ca 0.14 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.14 2ka5 h VAL 74 Cb 0.20 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 2ka5 h VAL 74 CO -0.27 0.26 0.33 -1.13 0.02 0.00 0.00 177.57 176.78 2ka5 h ASN 75 N 0.90 0.37 -0.81 0.57 -0.73 0.11 0.14 115.58 116.13 2ka5 h ASN 75 Ca 0.22 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.48 2ka5 h ASN 75 Cb 0.13 0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 2ka5 h ASN 75 CO -0.03 0.18 0.50 0.40 -0.37 0.00 0.00 177.43 178.11 2ka5 h ILE 76 N 0.52 1.22 -0.04 2.57 2.04 -0.88 -1.20 117.51 121.74 2ka5 h ILE 76 Ca 0.39 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2ka5 h ILE 76 Cb 0.52 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2ka5 h ILE 76 CO -0.34 0.23 -0.01 0.25 0.00 0.00 0.00 178.15 178.28 2ka5 h LEU 77 N 1.12 0.08 -0.48 1.44 7.12 -0.55 -0.78 115.31 123.25 2ka5 h LEU 77 Ca 0.29 -0.37 0.09 0.00 0.13 0.00 0.00 57.88 58.02 2ka5 h LEU 77 Cb -0.06 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 39.97 2ka5 h LEU 77 CO -0.06 0.44 0.03 0.11 -0.13 0.00 0.00 178.44 178.83 2ka5 h LYS 78 N -0.28 0.15 0.46 1.25 1.57 -0.78 0.16 116.57 119.10 2ka5 h LYS 78 Ca 0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2ka5 h LYS 78 Cb 0.40 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2ka5 h LYS 78 CO 0.00 0.10 -0.22 0.77 -0.57 0.00 0.00 179.45 179.53 2ka5 h SER 79 N 0.15 -0.53 -0.63 0.86 0.02 -1.15 -1.88 113.55 110.40 2ka5 h SER 79 Ca 0.24 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2ka5 h SER 79 Cb 0.35 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 2ka5 h SER 79 CO -0.37 -0.38 0.41 0.40 -1.14 0.00 0.00 176.83 175.75 2ka5 h ILE 80 N -0.62 1.17 0.00 3.27 2.04 -0.61 -0.44 117.51 122.30 2ka5 h ILE 80 Ca -0.06 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2ka5 h ILE 80 Cb 0.48 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2ka5 h ILE 80 CO 0.10 0.16 0.00 -0.24 0.00 0.00 0.00 178.15 178.18 2ka5 n SER 81 N -4.64 0.36 -0.02 1.72 2.88 0.50 -0.83 113.62 113.59 2ka5 n SER 81 Ca 0.05 0.59 -0.19 0.00 -1.33 0.00 0.00 58.87 57.98 2ka5 n SER 81 Cb 0.02 -0.67 -0.13 0.00 -0.75 0.00 0.00 64.21 62.69 2ka5 n SER 81 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2ka5 h SER 82 N 0.00 0.23 -0.03 -3.46 0.87 -0.31 -3.38 113.55 107.46 2ka5 h SER 82 Ca 0.00 -0.85 0.03 0.00 -1.23 0.00 0.00 61.79 59.74 2ka5 h SER 82 Cb 0.32 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 2ka5 h SER 82 CO 0.00 1.38 -0.24 0.28 -0.53 0.00 0.00 176.83 177.72 2ka5 h SER 83 N -0.64 -0.71 0.00 6.23 0.02 -0.39 -3.47 113.55 114.60 2ka5 h SER 83 Ca -0.20 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2ka5 h SER 83 Cb 1.45 0.30 0.00 0.00 0.14 0.00 0.00 62.40 64.28 2ka5 h SER 83 CO 0.01 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.01 2ka5 n GLY 84 N -1.36 0.55 3.92 -3.77 0.00 -0.03 -5.10 105.19 99.39 2ka5 n GLY 84 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2ka5 n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ka5 s GLY 85 N -0.71 2.36 -0.20 -0.02 0.00 -0.01 -5.00 107.32 103.74 2ka5 s GLY 85 Ca 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.45 2ka5 s GLY 85 CO 0.00 -1.95 0.14 -1.36 0.00 0.00 0.00 173.10 169.94 2ka5 s PHE 86 N -2.79 0.04 -0.09 1.90 0.40 -0.19 -4.12 117.98 113.12 2ka5 s PHE 86 Ca 0.34 -0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.44 2ka5 s PHE 86 Cb -0.02 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 42.87 2ka5 s PHE 86 CO 0.21 -0.59 0.01 0.12 0.70 0.00 0.00 175.22 175.67 2ka5 s PHE 87 N 2.20 3.18 0.26 0.36 5.36 -1.26 -3.86 117.98 124.22 2ka5 s PHE 87 Ca 0.05 0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.24 2ka5 s PHE 87 Cb -0.16 -1.80 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 2ka5 s PHE 87 CO -0.14 0.48 0.15 0.00 -1.46 0.00 0.00 175.22 174.25 2ka5 s ALA 88 N -0.87 1.57 0.35 11.12 0.00 -0.99 -3.76 121.76 129.18 2ka5 s ALA 88 Ca 0.13 -1.80 0.07 0.00 0.00 0.00 0.00 51.96 50.37 2ka5 s ALA 88 Cb -0.11 1.28 -0.07 0.00 0.00 0.00 0.00 23.12 24.22 2ka5 s ALA 88 CO 0.02 -0.56 -0.04 -0.51 0.00 0.00 0.00 175.76 174.68 2ka5 s LEU 89 N -3.27 2.66 -0.03 0.00 1.43 -0.59 -1.56 118.68 117.32 2ka5 s LEU 89 Ca 0.38 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.18 2ka5 s LEU 89 Cb 0.06 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.47 2ka5 s LEU 89 CO 0.16 -0.36 0.09 -0.69 0.23 0.00 0.00 176.35 175.78 2ka5 s VAL 90 N -2.81 -0.00 -1.31 -1.59 1.01 -0.45 -0.95 120.40 114.29 2ka5 s VAL 90 Ca 0.33 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 2ka5 s VAL 90 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.31 2ka5 s VAL 90 CO 0.16 0.01 0.52 -0.24 0.00 0.00 0.00 175.10 175.55 2ka5 n SER 91 N 3.14 -2.21 -4.55 3.32 2.88 -0.43 -0.80 113.62 114.96 2ka5 n SER 91 Ca -0.14 -1.09 -0.38 0.00 -1.33 0.00 0.00 58.87 55.93 2ka5 n SER 91 Cb 0.59 -2.76 -0.03 0.00 -0.75 0.00 0.00 64.21 61.26 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 -6.63 2.62 0.84 -1.46 0.04 -1.26 -3.98 135.00 125.17 2ka5 s PRO 92 Ca 0.22 0.60 -0.12 0.00 0.04 0.00 0.00 61.00 61.74 2ka5 s PRO 92 Cb -0.09 -4.40 0.10 0.00 0.04 0.00 0.00 34.50 30.15 2ka5 s PRO 92 CO 0.91 -2.74 1.16 0.54 0.04 0.00 0.00 177.00 176.90 2ka5 s ASN 93 N 8.11 3.54 0.39 6.66 4.22 -1.26 -4.62 114.94 131.98 2ka5 s ASN 93 Ca 0.67 2.18 0.06 0.00 -2.14 0.00 0.00 52.86 53.64 2ka5 s ASN 93 Cb -0.13 -2.57 0.81 0.00 1.28 0.00 0.00 41.25 40.65 2ka5 s ASN 93 CO 0.20 -2.69 2.03 -0.08 -2.04 0.00 0.00 177.10 174.52 2ka5 h GLU 94 N -1.30 0.62 -0.55 3.55 4.81 -1.96 0.14 114.58 119.89 2ka5 h GLU 94 Ca -0.44 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2ka5 h GLU 94 Cb 1.27 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2ka5 h GLU 94 CO 0.45 0.41 0.32 -0.22 -0.73 0.00 0.00 179.01 179.25 2ka5 h LYS 95 N 0.64 0.62 -0.03 1.92 1.63 -1.90 -2.05 116.57 117.40 2ka5 h LYS 95 Ca 0.20 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 2ka5 h LYS 95 Cb 0.01 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 2ka5 h LYS 95 CO -0.05 0.41 -0.25 0.28 -3.45 0.00 0.00 179.45 176.40 2ka5 h VAL 96 N 0.64 1.49 -0.63 2.00 2.07 -1.02 -3.26 116.25 117.55 2ka5 h VAL 96 Ca 0.23 -1.80 0.15 0.00 0.82 0.00 0.00 66.70 66.09 2ka5 h VAL 96 Cb 0.04 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 2ka5 h VAL 96 CO -0.11 0.50 0.43 -0.33 0.02 0.00 0.00 177.57 178.09 2ka5 h GLU 97 N -0.39 0.19 0.49 1.57 5.08 -0.92 0.18 114.58 120.78 2ka5 h GLU 97 Ca -0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2ka5 h GLU 97 Cb 0.95 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2ka5 h GLU 97 CO 0.05 0.13 -0.38 -0.09 -1.00 0.00 0.00 179.01 177.72 2ka5 h ARG 98 N 0.20 -0.80 -0.26 2.33 1.12 -1.43 -2.11 114.38 113.42 2ka5 h ARG 98 Ca 0.30 0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 59.14 2ka5 h ARG 98 Cb 0.91 0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 31.04 2ka5 h ARG 98 CO -0.05 -0.54 -0.22 -0.24 -3.11 0.00 0.00 179.97 175.81 2ka5 h VAL 99 N -0.84 1.26 0.00 0.20 3.04 -1.19 -1.58 116.25 117.14 2ka5 h VAL 99 Ca -0.06 -1.20 -0.01 0.00 -1.01 0.00 0.00 66.70 64.41 2ka5 h VAL 99 Cb 0.70 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2ka5 h VAL 99 CO 0.01 0.39 -0.06 -0.07 -1.01 0.00 0.00 177.57 176.83 2ka5 h LEU 100 N 0.44 0.00 0.01 3.16 3.38 -0.60 0.11 115.31 121.80 2ka5 h LEU 100 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2ka5 h LEU 100 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2ka5 h LEU 100 CO 0.04 0.06 -0.06 0.28 0.09 0.00 0.00 178.44 178.86 2ka5 h SER 101 N 0.00 0.04 0.13 -0.43 0.02 -0.61 0.45 113.55 113.15 2ka5 h SER 101 Ca -0.00 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 2ka5 h SER 101 Cb 0.21 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2ka5 h SER 101 CO 0.01 0.97 0.00 -0.07 -1.14 0.00 0.00 176.83 176.60 2ka5 h LEU 102 N -0.90 0.00 -0.95 5.07 3.38 -0.45 -0.60 115.31 120.86 2ka5 h LEU 102 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ka5 h LEU 102 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2ka5 h LEU 102 CO 0.01 0.00 0.00 1.07 0.09 0.00 0.00 178.44 179.61 2ka5 n THR 103 N -2.36 0.00 -3.53 0.22 5.66 0.25 -5.05 114.28 109.47 2ka5 n THR 103 Ca -0.01 -0.48 -0.17 0.00 -3.05 0.00 0.00 64.05 60.34 2ka5 n THR 103 Cb 0.07 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.89 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 -0.02 -5.92 -0.11 1.09 3.02 -0.24 -4.99 115.26 108.10 2ka5 n ASN 104 Ca 0.00 -0.66 -0.23 0.00 -0.03 0.00 0.00 54.58 53.66 2ka5 n ASN 104 Cb 0.01 -3.09 -0.08 0.00 -0.61 0.00 0.00 39.78 36.01 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 -2.50 1.61 0.07 3.41 0.00 0.15 -4.47 117.00 115.28 2ka5 n LEU 105 Ca -0.19 0.24 0.08 0.00 0.00 0.00 0.00 56.01 56.14 2ka5 n LEU 105 Cb 0.62 -0.64 0.35 0.00 0.00 0.00 0.00 43.42 43.74 2ka5 n LEU 105 CO 0.60 0.47 0.73 -0.90 0.00 0.00 0.00 177.39 178.30 2ka5 n ASP 106 N -3.93 0.30 -0.70 1.96 5.68 -0.93 -0.84 116.55 118.09 2ka5 n ASP 106 Ca -0.43 0.60 0.07 0.00 -0.50 0.00 0.00 54.79 54.54 2ka5 n ASP 106 Cb 0.81 -0.66 0.13 0.00 -1.14 0.00 0.00 41.12 40.26 2ka5 n ASP 106 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2ka5 n ARG 107 N -1.86 1.92 0.00 0.11 1.85 -1.26 -4.49 116.66 112.93 2ka5 n ARG 107 Ca 0.01 -1.79 0.00 0.00 -1.00 0.00 0.00 57.85 55.07 2ka5 n ARG 107 Cb 0.12 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 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 0.81 0.00 -2.96 8.89 5.41 -0.66 -5.09 119.36 125.77 2ka5 n ILE 108 Ca 0.12 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.66 2ka5 n ILE 108 Cb 0.42 -0.84 0.02 0.00 -0.71 0.00 0.00 39.64 38.53 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 -1.88 3.48 0.55 1.39 1.01 -0.02 -5.10 120.40 119.83 2ka5 s VAL 109 Ca 0.00 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2ka5 s VAL 109 Cb 0.00 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.17 2ka5 s VAL 109 CO 0.00 -0.16 0.76 -0.54 0.00 0.00 0.00 175.10 175.15 2ka5 s LYS 110 N -4.54 2.44 -0.10 2.72 1.02 -1.25 -4.71 119.74 115.33 2ka5 s LYS 110 Ca 0.51 -1.10 -0.26 0.00 0.02 0.00 0.00 55.97 55.14 2ka5 s LYS 110 Cb -0.10 -2.56 0.06 0.00 -0.52 0.00 0.00 37.83 34.71 2ka5 s LYS 110 CO 0.36 -0.74 0.62 0.42 -0.92 0.00 0.00 175.35 175.09 2ka5 s ILE 111 N -2.70 0.01 0.14 2.17 1.09 -1.26 -1.54 121.20 119.10 2ka5 s ILE 111 Ca 0.59 -0.06 -0.10 0.00 -1.10 0.00 0.00 60.65 59.97 2ka5 s ILE 111 Cb -0.09 -0.92 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 2ka5 s ILE 111 CO 0.38 -0.04 0.28 -0.31 -0.10 0.00 0.00 174.94 175.15 2ka5 s TYR 112 N -0.75 0.22 -0.14 3.97 1.51 -0.12 -4.87 117.35 117.18 2ka5 s TYR 112 Ca -0.08 -0.60 -0.09 0.00 -1.01 0.00 0.00 57.07 55.28 2ka5 s TYR 112 Cb -0.02 0.00 -0.05 0.00 -0.11 0.00 0.00 41.96 41.78 2ka5 s TYR 112 CO 0.06 -0.67 -0.04 0.22 -1.11 0.00 0.00 175.55 174.01 2ka5 h ASP 113 N 2.57 0.00 -2.36 2.29 3.58 -1.95 -1.14 116.42 119.41 2ka5 h ASP 113 Ca -0.32 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2ka5 h ASP 113 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2ka5 h ASP 113 CO 0.50 0.78 0.00 0.35 -2.88 0.00 0.00 179.24 177.99 2ka5 n THR 114 N -4.64 0.00 0.05 2.25 -2.24 -1.26 -2.85 114.28 105.59 2ka5 n THR 114 Ca -0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 2ka5 n THR 114 Cb 0.25 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.49 2ka5 n THR 114 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2ka5 h ILE 115 N 0.04 1.17 -0.26 2.28 1.08 -1.98 -3.42 117.51 116.42 2ka5 h ILE 115 Ca 0.00 -2.86 -0.15 0.00 -0.39 0.00 0.00 64.86 61.46 2ka5 h ILE 115 Cb 0.00 2.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.45 2ka5 h ILE 115 CO 0.00 0.79 -0.45 -1.28 -0.69 0.00 0.00 178.15 176.52 2ka5 h SER 116 N 0.05 0.74 -0.55 1.72 0.87 -1.99 0.12 113.55 114.50 2ka5 h SER 116 Ca -0.22 -0.36 -0.11 0.00 -1.23 0.00 0.00 61.79 59.87 2ka5 h SER 116 Cb 1.98 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.71 2ka5 h SER 116 CO 0.14 1.08 -0.10 -0.33 -0.53 0.00 0.00 176.83 177.09 2ka5 h GLU 117 N 0.55 1.05 -0.62 2.24 5.08 -2.00 -3.13 114.58 117.75 2ka5 h GLU 117 Ca 0.03 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 2ka5 h GLU 117 Cb 1.00 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 2ka5 h GLU 117 CO 0.09 1.08 0.15 0.00 -1.00 0.00 0.00 179.01 179.33 2ka5 h ALA 118 N 0.94 0.81 -0.81 3.43 0.00 -1.38 0.32 119.26 122.58 2ka5 h ALA 118 Ca 0.14 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.97 2ka5 h ALA 118 Cb 0.68 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 2ka5 h ALA 118 CO 0.05 0.53 0.36 1.98 0.00 0.00 0.00 179.25 182.17 2ka5 h MET 119 N 0.91 0.50 0.00 0.00 -1.53 -0.78 -0.62 114.93 113.40 2ka5 h MET 119 Ca 0.19 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.42 2ka5 h MET 119 Cb 0.36 -0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.30 2ka5 h MET 119 CO 0.00 0.33 -1.31 -0.85 0.14 0.00 0.00 176.91 175.22 2ka5 n GLU 120 N -4.95 1.03 -0.02 0.39 0.28 -1.07 -4.48 120.64 111.82 2ka5 n GLU 120 Ca 0.16 -0.08 -0.18 0.00 -0.16 0.00 0.00 57.16 56.90 2ka5 n GLU 120 Cb 0.45 -1.34 -0.14 0.00 1.43 0.00 0.00 31.44 31.85 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 0.14 0.00 3.44 4.81 -0.40 -3.26 114.58 119.30 2ka5 h GLU 121 Ca 0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2ka5 h GLU 121 Cb 0.59 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2ka5 h GLU 121 CO 0.00 1.12 0.24 -0.24 -0.73 0.00 0.00 179.01 179.39 2ka5 h VAL 122 N -0.68 0.00 0.00 0.32 3.04 -1.36 0.46 116.25 118.03 2ka5 h VAL 122 Ca -0.12 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.48 2ka5 h VAL 122 Cb 1.36 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 2ka5 h VAL 122 CO 0.04 0.00 -0.41 0.03 -1.01 0.00 0.00 177.57 176.22 2ka5 h ARG 123 N 0.00 0.00 0.00 4.17 3.08 -1.78 -3.41 114.38 116.44 2ka5 h ARG 123 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2ka5 h ARG 123 Cb 0.47 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.39 2ka5 h ARG 123 CO 0.00 0.41 -0.21 2.89 -1.07 0.00 0.00 179.97 181.99 2ka5 n ARG 124 N -3.75 0.97 0.00 0.04 0.00 0.84 -5.16 116.66 109.61 2ka5 n ARG 124 Ca -0.01 -1.37 0.00 0.00 -0.00 0.00 0.00 57.85 56.47 2ka5 n ARG 124 Cb 0.49 0.07 0.00 0.00 -0.00 0.00 0.00 32.46 33.01 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99