#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 1.63 0.00 -5.12 0.00 -1.26 -5.07 107.32 97.51 2ka5 s GLY 2 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2ka5 s GLY 2 CO 0.00 -1.27 0.00 1.44 0.00 0.00 0.00 173.10 173.27 2ka5 n SER 3 N -0.88 0.00 -3.85 1.64 7.64 -1.26 -5.11 113.62 111.81 2ka5 n SER 3 Ca 0.03 -0.29 -0.31 0.00 1.01 0.00 0.00 58.87 59.31 2ka5 n SER 3 Cb 0.64 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.85 2ka5 n SER 3 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ka5 n ASP 4 N 0.00 -3.08 0.06 6.43 8.00 -1.26 -4.90 116.55 121.80 2ka5 n ASP 4 Ca 0.00 -1.05 -0.02 0.00 0.71 0.00 0.00 54.79 54.43 2ka5 n ASP 4 Cb 0.07 -3.02 -0.01 0.00 -0.02 0.00 0.00 41.12 38.14 2ka5 n ASP 4 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2ka5 h LYS 5 N -1.96 -0.14 0.00 -1.24 6.56 -2.06 -3.46 116.57 114.26 2ka5 h LYS 5 Ca -0.66 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 2ka5 h LYS 5 Cb 1.37 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.07 2ka5 h LYS 5 CO 0.55 -0.10 0.00 -0.89 -2.06 0.00 0.00 179.45 176.95 2ka5 n ILE 6 N -2.43 0.00 -2.05 1.86 -0.00 -1.26 -4.64 119.36 110.84 2ka5 n ILE 6 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.33 2ka5 n ILE 6 Cb 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.68 2ka5 n ILE 6 CO 0.00 0.00 0.00 -1.38 -0.00 0.00 0.00 176.55 175.17 2ka5 s HIS 7 N 0.00 2.94 0.32 1.39 -3.43 -1.26 -5.05 115.29 110.20 2ka5 s HIS 7 Ca 0.00 1.37 0.07 0.00 -0.80 0.00 0.00 55.06 55.70 2ka5 s HIS 7 Cb 0.00 -3.74 -0.06 0.00 -1.43 0.00 0.00 32.58 27.35 2ka5 s HIS 7 CO 0.00 -2.09 -0.04 -3.38 -2.00 0.00 0.00 174.74 167.24 2ka5 s HIS 8 N -1.15 2.15 0.22 0.38 -3.43 -1.26 -5.07 115.29 107.13 2ka5 s HIS 8 Ca 0.51 -0.69 0.00 0.00 -0.80 0.00 0.00 55.06 54.08 2ka5 s HIS 8 Cb -0.41 -1.31 0.00 0.00 -1.43 0.00 0.00 32.58 29.43 2ka5 s HIS 8 CO 0.54 0.34 0.00 0.72 -2.00 0.00 0.00 174.74 174.34 2ka5 n HIS 9 N -0.71 -3.06 -4.59 0.38 8.25 -1.26 -4.92 115.22 109.31 2ka5 n HIS 9 Ca -0.05 1.19 -0.22 0.00 -0.26 0.00 0.00 57.72 58.38 2ka5 n HIS 9 Cb 0.64 -2.17 -0.15 0.00 1.12 0.00 0.00 29.99 29.43 2ka5 n HIS 9 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ka5 s HIS 10 N -1.69 1.18 -0.45 4.41 2.46 -1.26 -5.09 115.29 114.85 2ka5 s HIS 10 Ca 0.00 -0.23 0.06 0.00 0.47 0.00 0.00 55.06 55.36 2ka5 s HIS 10 Cb 0.00 -0.76 0.22 0.00 -0.13 0.00 0.00 32.58 31.91 2ka5 s HIS 10 CO 0.00 -0.03 0.49 0.72 -2.47 0.00 0.00 174.74 173.45 2ka5 n HIS 11 N 2.80 0.21 0.05 3.88 8.25 -1.26 -4.86 115.22 124.29 2ka5 n HIS 11 Ca -0.14 -3.61 0.00 0.00 -0.26 0.00 0.00 57.72 53.71 2ka5 n HIS 11 Cb 0.55 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.45 2ka5 n HIS 11 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ka5 n HIS 12 N 1.81 -0.15 -1.20 4.41 -0.00 -1.26 -5.16 115.22 113.66 2ka5 n HIS 12 Ca 0.25 0.03 0.12 0.00 0.46 0.00 0.00 57.72 58.58 2ka5 n HIS 12 Cb 0.49 0.04 -0.03 0.00 -0.12 0.00 0.00 29.99 30.37 2ka5 n HIS 12 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ka5 n MET 13 N -3.42 -1.80 -3.68 1.57 0.00 -1.26 -5.02 117.12 103.50 2ka5 n MET 13 Ca 0.00 1.19 -0.15 0.00 0.00 0.00 0.00 57.70 58.74 2ka5 n MET 13 Cb 0.07 -2.20 -0.08 0.00 0.00 0.00 0.00 33.22 31.01 2ka5 n MET 13 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 2ka5 s PHE 14 N -1.67 -0.40 0.12 3.17 5.36 -1.26 -5.14 117.98 118.17 2ka5 s PHE 14 Ca 0.00 0.74 -0.30 0.00 -0.96 0.00 0.00 56.93 56.41 2ka5 s PHE 14 Cb 0.00 0.21 -0.07 0.00 -0.34 0.00 0.00 43.02 42.82 2ka5 s PHE 14 CO 0.00 -0.43 1.15 -1.25 -1.46 0.00 0.00 175.22 173.24 2ka5 s PRO 15 N -0.94 4.50 0.30 10.12 0.04 -1.26 -5.04 135.00 142.72 2ka5 s PRO 15 Ca -0.10 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 2ka5 s PRO 15 Cb -0.03 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.21 2ka5 s PRO 15 CO 0.05 -0.10 0.57 1.52 0.04 0.00 0.00 177.00 179.08 2ka5 s TYR 16 N 0.42 0.40 0.38 0.56 -0.85 -1.26 -1.80 117.35 115.20 2ka5 s TYR 16 Ca 0.54 -0.81 0.04 0.00 -0.52 0.00 0.00 57.07 56.32 2ka5 s TYR 16 Cb -0.30 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.33 2ka5 s TYR 16 CO 0.32 -1.17 0.11 -1.59 -1.52 0.00 0.00 175.55 171.70 2ka5 s LYS 17 N -3.46 1.85 0.19 -3.49 -2.85 0.23 -4.96 119.74 107.25 2ka5 s LYS 17 Ca 0.21 -2.10 0.08 0.00 -1.00 0.00 0.00 55.97 53.16 2ka5 s LYS 17 Cb -0.02 -0.68 -0.04 0.00 -2.06 0.00 0.00 37.83 35.02 2ka5 s LYS 17 CO 0.12 -0.40 -0.17 0.42 0.10 0.00 0.00 175.35 175.42 2ka5 s ILE 18 N -3.25 1.82 0.00 3.79 1.01 -1.26 -0.69 121.20 122.62 2ka5 s ILE 18 Ca 0.27 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.85 2ka5 s ILE 18 Cb 0.04 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2ka5 s ILE 18 CO 0.14 -0.44 0.00 1.33 0.00 0.00 0.00 174.94 175.97 2ka5 n VAL 19 N -0.05 0.00 -0.02 2.92 0.24 -0.20 -4.94 118.33 116.28 2ka5 n VAL 19 Ca -0.10 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.14 2ka5 n VAL 19 Cb 0.59 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 2ka5 n VAL 19 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2ka5 h ASP 20 N 0.00 -0.64 0.00 -1.34 5.19 -2.01 -3.38 116.42 114.23 2ka5 h ASP 20 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2ka5 h ASP 20 Cb 0.00 0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2ka5 h ASP 20 CO 0.00 -0.16 -0.10 -0.90 -3.12 0.00 0.00 179.24 174.96 2ka5 n ASP 21 N -3.62 0.00 -4.70 6.45 5.75 -1.26 -5.09 116.55 114.07 2ka5 n ASP 21 Ca -0.02 -1.19 -0.35 0.00 -0.01 0.00 0.00 54.79 53.22 2ka5 n ASP 21 Cb 0.13 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.09 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 4.51 0.23 2.12 1.01 -1.26 -4.52 120.40 122.48 2ka5 s VAL 22 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2ka5 s VAL 22 Cb 0.00 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.39 2ka5 s VAL 22 CO 0.00 0.60 0.55 -0.69 0.00 0.00 0.00 175.10 175.56 2ka5 s VAL 23 N -0.79 4.92 -0.24 2.92 1.01 -0.64 -1.04 120.40 126.55 2ka5 s VAL 23 Ca 0.12 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 2ka5 s VAL 23 Cb -0.12 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.71 2ka5 s VAL 23 CO 0.02 -0.07 0.01 -0.63 0.00 0.00 0.00 175.10 174.44 2ka5 s ILE 24 N -1.81 1.07 0.56 2.22 1.09 0.13 -0.25 121.20 124.21 2ka5 s ILE 24 Ca 0.47 -1.05 -0.11 0.00 -1.10 0.00 0.00 60.65 58.86 2ka5 s ILE 24 Cb -0.11 -1.53 -0.05 0.00 -1.06 0.00 0.00 42.46 39.71 2ka5 s ILE 24 CO 0.21 -0.27 0.97 -0.76 -0.10 0.00 0.00 174.94 174.99 2ka5 s LEU 25 N 1.59 3.41 -0.44 2.97 2.01 0.07 -0.60 118.68 127.68 2ka5 s LEU 25 Ca -0.01 1.36 0.02 0.00 0.01 0.00 0.00 54.13 55.52 2ka5 s LEU 25 Cb -0.18 -4.36 0.15 0.00 0.01 0.00 0.00 46.19 41.81 2ka5 s LEU 25 CO -0.10 -0.73 0.29 -0.04 1.01 0.00 0.00 176.35 176.77 2ka5 s MET 26 N -4.78 1.17 -0.76 1.70 -1.94 -0.74 -3.02 119.30 110.92 2ka5 s MET 26 Ca 0.54 -2.05 -0.26 0.00 -1.71 0.00 0.00 55.69 52.22 2ka5 s MET 26 Cb -0.11 -2.00 -0.08 0.00 2.01 0.00 0.00 34.83 34.66 2ka5 s MET 26 CO 0.46 -1.25 2.16 -1.25 -0.01 0.00 0.00 175.02 175.13 2ka5 s PRO 27 N 0.21 2.17 -0.32 2.03 0.04 -1.26 -4.64 135.00 133.24 2ka5 s PRO 27 Ca 0.23 0.36 -0.05 0.00 0.04 0.00 0.00 61.00 61.57 2ka5 s PRO 27 Cb -0.14 -4.80 -0.15 0.00 0.04 0.00 0.00 34.50 29.45 2ka5 s PRO 27 CO -0.07 -3.64 2.61 0.27 0.04 0.00 0.00 177.00 176.21 2ka5 n ASN 28 N 15.69 4.38 0.00 6.66 6.94 -1.26 -4.49 115.26 143.18 2ka5 n ASN 28 Ca 0.39 -2.25 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 2ka5 n ASN 28 Cb 0.48 -1.07 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 2ka5 n ASN 28 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2ka5 n LYS 29 N 3.03 0.00 -0.10 -3.83 2.85 -1.26 -4.80 118.16 114.05 2ka5 n LYS 29 Ca 0.37 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 2ka5 n LYS 29 Cb 0.51 -2.93 0.00 0.00 -0.65 0.00 0.00 35.03 31.96 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2ka5 n GLU 30 N -0.86 0.59 -1.59 -1.58 0.28 -1.26 -4.62 120.64 111.59 2ka5 n GLU 30 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 2ka5 n GLU 30 Cb 0.00 -1.20 -0.02 0.00 1.43 0.00 0.00 31.44 31.64 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 1.04 8.39 -4.74 -1.84 4.77 -1.26 -4.87 117.00 118.49 2ka5 n LEU 31 Ca 0.00 -4.57 -0.29 0.00 -0.03 0.00 0.00 56.01 51.12 2ka5 n LEU 31 Cb 0.30 -1.47 0.17 0.00 -2.33 0.00 0.00 43.42 40.09 2ka5 n LEU 31 CO 0.00 2.06 0.70 0.54 -1.33 0.00 0.00 177.39 179.36 2ka5 s ASN 32 N 1.39 2.73 0.13 -1.43 2.20 -1.26 -4.74 114.94 113.96 2ka5 s ASN 32 Ca 0.63 0.87 -0.10 0.00 -0.94 0.00 0.00 52.86 53.32 2ka5 s ASN 32 Cb 0.19 -1.34 -0.07 0.00 -2.00 0.00 0.00 41.25 38.02 2ka5 s ASN 32 CO -0.08 -3.03 1.39 0.40 -2.94 0.00 0.00 177.10 172.85 2ka5 h ILE 33 N -1.83 1.28 -0.29 0.54 2.04 -1.99 -2.95 117.51 114.32 2ka5 h ILE 33 Ca -0.50 -1.83 -0.05 0.00 1.00 0.00 0.00 64.86 63.49 2ka5 h ILE 33 Cb 1.32 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 2ka5 h ILE 33 CO 0.53 0.59 -0.03 -0.33 0.00 0.00 0.00 178.15 178.91 2ka5 h GLU 34 N 0.59 0.45 0.00 2.37 5.08 -1.96 0.97 114.58 122.08 2ka5 h GLU 34 Ca -0.01 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2ka5 h GLU 34 Cb 1.23 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ka5 h GLU 34 CO 0.13 0.50 -0.16 -0.97 -1.00 0.00 0.00 179.01 177.51 2ka5 h ASN 35 N 0.43 0.00 0.24 1.42 -1.24 -1.89 -3.36 115.58 111.18 2ka5 h ASN 35 Ca 0.09 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 2ka5 h ASN 35 Cb 0.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 2ka5 h ASN 35 CO 0.01 0.16 -0.12 0.00 -1.29 0.00 0.00 177.43 176.19 2ka5 h ALA 36 N 1.84 -0.32 -0.04 1.57 0.00 -0.61 0.05 119.26 121.75 2ka5 h ALA 36 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2ka5 h ALA 36 Cb 1.04 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ka5 h ALA 36 CO 0.02 -0.38 -0.34 1.25 0.00 0.00 0.00 179.25 179.80 2ka5 h HIS 37 N -0.92 0.08 0.00 0.00 -0.00 -1.73 -1.88 115.15 110.70 2ka5 h HIS 37 Ca -0.03 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.27 2ka5 h HIS 37 Cb 0.49 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 2ka5 h HIS 37 CO 0.06 0.41 -0.23 1.37 -0.00 0.00 0.00 177.93 179.54 2ka5 h LEU 38 N 0.07 0.00 -0.91 0.26 8.10 -1.70 -3.28 115.31 117.85 2ka5 h LEU 38 Ca 0.01 0.00 0.19 0.00 0.11 0.00 0.00 57.88 58.19 2ka5 h LEU 38 Cb 0.63 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 40.74 2ka5 h LEU 38 CO 0.05 0.23 0.46 0.15 -4.11 0.00 0.00 178.44 175.21 2ka5 h PHE 39 N 0.00 0.79 0.56 0.17 3.57 -0.11 0.19 116.94 122.11 2ka5 h PHE 39 Ca -0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2ka5 h PHE 39 Cb 0.85 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2ka5 h PHE 39 CO 0.00 0.08 -0.31 -0.22 -2.23 0.00 0.00 178.31 175.63 2ka5 h LYS 40 N 0.54 -0.78 -0.74 1.11 3.64 -1.70 -1.63 116.57 117.02 2ka5 h LYS 40 Ca 0.54 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 60.12 2ka5 h LYS 40 Cb 0.93 0.18 -0.14 0.00 -0.41 0.00 0.00 32.23 32.78 2ka5 h LYS 40 CO -0.45 -0.52 -0.23 -0.22 -2.27 0.00 0.00 179.45 175.77 2ka5 h LYS 41 N -0.81 -0.03 0.42 1.90 3.11 -0.96 0.15 116.57 120.35 2ka5 h LYS 41 Ca -0.08 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 2ka5 h LYS 41 Cb 0.63 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 2ka5 h LYS 41 CO 0.10 -0.02 -0.20 2.35 -2.81 0.00 0.00 179.45 178.87 2ka5 h TRP 42 N -0.03 -0.53 -0.82 1.91 7.01 -0.82 -1.50 115.95 121.17 2ka5 h TRP 42 Ca 0.34 -0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.51 2ka5 h TRP 42 Cb 0.56 0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.73 2ka5 h TRP 42 CO -0.62 -0.33 0.55 0.28 -2.79 0.00 0.00 178.44 175.53 2ka5 h VAL 43 N -0.61 0.73 0.06 2.65 2.07 -0.82 0.19 116.25 120.51 2ka5 h VAL 43 Ca -0.06 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2ka5 h VAL 43 Cb 0.44 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2ka5 h VAL 43 CO 0.10 0.07 -0.03 -0.26 0.02 0.00 0.00 177.57 177.47 2ka5 h PHE 44 N 0.38 -0.07 -0.82 1.57 -1.00 -0.69 -1.81 116.94 114.50 2ka5 h PHE 44 Ca 0.42 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.15 2ka5 h PHE 44 Cb 1.05 0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.59 2ka5 h PHE 44 CO -0.00 -0.04 0.36 -0.44 -1.61 0.00 0.00 178.31 176.57 2ka5 h ASP 45 N -0.08 1.10 0.40 2.17 3.32 -0.54 0.31 116.42 123.11 2ka5 h ASP 45 Ca -0.01 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 2ka5 h ASP 45 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2ka5 h ASP 45 CO 0.01 0.95 -0.52 -0.08 -1.72 0.00 0.00 179.24 177.88 2ka5 h GLU 46 N 1.18 0.13 0.00 3.56 4.57 -0.77 -3.35 114.58 119.90 2ka5 h GLU 46 Ca 0.28 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2ka5 h GLU 46 Cb 0.17 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2ka5 h GLU 46 CO -0.03 0.62 -0.02 1.19 -1.18 0.00 0.00 179.01 179.60 2ka5 n PHE 47 N -3.93 -2.02 0.19 0.92 3.72 -0.85 -4.68 117.46 110.80 2ka5 n PHE 47 Ca -0.02 0.36 -0.15 0.00 -0.05 0.00 0.00 57.45 57.59 2ka5 n PHE 47 Cb 0.55 0.52 -0.08 0.00 -0.94 0.00 0.00 39.48 39.53 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 -0.36 -0.89 4.37 3.38 -0.12 0.49 115.31 122.18 2ka5 h LEU 48 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ka5 h LEU 48 Cb 0.02 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2ka5 h LEU 48 CO 0.00 -0.25 0.00 0.78 0.09 0.00 0.00 178.44 179.06 2ka5 h ASN 49 N -0.42 0.00 0.81 -0.43 2.35 -0.73 -0.99 115.58 116.17 2ka5 h ASN 49 Ca -0.04 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 2ka5 h ASN 49 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2ka5 h ASN 49 CO 0.07 0.00 -0.64 0.11 -1.65 0.00 0.00 177.43 175.31 2ka5 h LYS 50 N 0.00 0.00 0.00 0.81 1.57 -1.37 -3.48 116.57 114.10 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2ka5 h LYS 50 CO 0.00 0.64 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 2ka5 n GLY 51 N 0.55 0.60 3.80 3.86 0.00 -0.38 -5.04 105.19 108.57 2ka5 n GLY 51 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.53 2.89 0.00 1.61 1.51 0.04 -4.98 117.35 116.89 2ka5 s TYR 52 Ca 0.00 1.48 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 2ka5 s TYR 52 Cb 0.00 -2.95 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 2ka5 s TYR 52 CO 0.00 -1.46 0.00 0.09 -1.11 0.00 0.00 175.55 173.07 2ka5 n ASN 53 N -3.25 0.01 -4.00 2.29 4.13 -1.26 -4.41 115.26 108.76 2ka5 n ASN 53 Ca 0.08 -0.19 -0.24 0.00 1.68 0.00 0.00 54.58 55.91 2ka5 n ASN 53 Cb 0.53 0.03 -0.17 0.00 -1.54 0.00 0.00 39.78 38.64 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 -0.03 1.62 0.05 3.52 1.02 -1.26 -1.35 119.74 123.30 2ka5 s LYS 54 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.62 2ka5 s LYS 54 Cb 0.00 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.91 2ka5 s LYS 54 CO 0.00 -0.00 -0.05 0.42 -0.92 0.00 0.00 175.35 174.80 2ka5 s ILE 55 N 0.76 0.35 0.09 2.17 1.01 -1.22 -1.61 121.20 122.75 2ka5 s ILE 55 Ca -0.13 -1.45 0.03 0.00 0.00 0.00 0.00 60.65 59.10 2ka5 s ILE 55 Cb -0.15 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 2ka5 s ILE 55 CO 0.03 -0.72 -0.08 -0.36 0.00 0.00 0.00 174.94 173.80 2ka5 s PHE 56 N -2.71 0.96 -0.19 3.97 0.08 0.65 -2.84 117.98 117.90 2ka5 s PHE 56 Ca -0.01 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.29 2ka5 s PHE 56 Cb -0.01 -0.54 0.04 0.00 -0.57 0.00 0.00 43.02 41.95 2ka5 s PHE 56 CO -0.05 -0.06 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.75 2ka5 s LEU 57 N -2.64 2.04 -0.28 -0.37 2.96 -0.94 -0.75 118.68 118.69 2ka5 s LEU 57 Ca 0.07 -0.80 -0.18 0.00 -0.22 0.00 0.00 54.13 53.00 2ka5 s LEU 57 Cb 0.00 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.55 2ka5 s LEU 57 CO -0.02 -0.16 0.50 -0.69 -1.32 0.00 0.00 176.35 174.67 2ka5 s VAL 58 N 1.48 5.06 -2.46 1.68 1.01 -1.17 -1.18 120.40 124.82 2ka5 s VAL 58 Ca -0.00 0.75 0.26 0.00 0.00 0.00 0.00 61.98 62.98 2ka5 s VAL 58 Cb -0.16 -3.85 0.50 0.00 0.00 0.00 0.00 36.38 32.88 2ka5 s VAL 58 CO -0.08 0.03 1.65 0.18 0.00 0.00 0.00 175.10 176.88 2ka5 n LEU 59 N 5.57 1.69 -0.26 3.92 4.32 -0.00 -4.18 117.00 128.06 2ka5 n LEU 59 Ca -0.05 -0.61 0.06 0.00 -0.02 0.00 0.00 56.01 55.39 2ka5 n LEU 59 Cb 0.50 -0.04 0.19 0.00 -1.62 0.00 0.00 43.42 42.45 2ka5 n LEU 59 CO 0.41 0.31 1.02 0.77 -1.22 0.00 0.00 177.39 178.67 2ka5 h SER 60 N 2.51 0.28 0.54 -1.43 4.64 -1.74 -1.23 113.55 117.13 2ka5 h SER 60 Ca 0.00 0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 2ka5 h SER 60 Cb 0.54 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2ka5 h SER 60 CO 0.00 0.10 -0.35 -0.78 -0.87 0.00 0.00 176.83 174.93 2ka5 h ASP 61 N 0.44 0.00 -3.15 4.97 1.82 -1.84 -3.45 116.42 115.21 2ka5 h ASP 61 Ca 0.42 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.49 2ka5 h ASP 61 Cb 0.65 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 2ka5 h ASP 61 CO -0.41 0.35 -0.29 -0.69 -1.61 0.00 0.00 179.24 176.59 2ka5 s VAL 62 N -3.96 5.14 -0.02 2.25 1.01 -0.46 -4.91 120.40 119.45 2ka5 s VAL 62 Ca -0.02 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 2ka5 s VAL 62 Cb 0.13 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 2ka5 s VAL 62 CO 0.69 -0.02 0.79 -0.08 0.00 0.00 0.00 175.10 176.48 2ka5 h GLU 63 N 2.62 -0.62 -2.72 2.72 4.81 -1.88 -3.48 114.58 116.04 2ka5 h GLU 63 Ca -0.46 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.90 2ka5 h GLU 63 Cb 1.17 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 2ka5 h GLU 63 CO 0.71 -0.40 0.43 0.45 -0.73 0.00 0.00 179.01 179.47 2ka5 s SER 64 N -4.82 -0.04 0.54 1.04 0.15 -1.26 -4.20 113.70 105.10 2ka5 s SER 64 Ca -0.10 -0.80 0.06 0.00 0.70 0.00 0.00 55.95 55.80 2ka5 s SER 64 Cb 0.01 0.65 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 2ka5 s SER 64 CO 0.31 -1.27 0.42 -0.51 1.20 0.00 0.00 173.24 173.39 2ka5 s ILE 65 N -2.52 1.75 0.46 6.45 2.07 -1.26 -5.01 121.20 123.13 2ka5 s ILE 65 Ca 0.17 -1.46 0.05 0.00 -1.41 0.00 0.00 60.65 58.00 2ka5 s ILE 65 Cb -0.04 -2.21 -0.04 0.00 0.13 0.00 0.00 42.46 40.30 2ka5 s ILE 65 CO 0.07 0.00 0.04 -0.62 -1.91 0.00 0.00 174.94 172.53 2ka5 s ASP 66 N -4.29 4.08 0.29 4.50 2.15 -1.26 -5.01 116.67 117.13 2ka5 s ASP 66 Ca 0.37 -1.45 0.04 0.00 0.43 0.00 0.00 52.55 51.93 2ka5 s ASP 66 Cb -0.02 0.01 0.70 0.00 -0.30 0.00 0.00 42.92 43.31 2ka5 s ASP 66 CO 0.23 -0.66 1.75 -1.28 -0.17 0.00 0.00 175.17 175.04 2ka5 h SER 67 N 1.51 0.61 0.66 -0.34 0.87 -1.99 -1.97 113.55 112.91 2ka5 h SER 67 Ca -0.44 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 2ka5 h SER 67 Cb 1.28 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.26 2ka5 h SER 67 CO 0.76 0.18 -0.32 0.15 -0.53 0.00 0.00 176.83 177.08 2ka5 h PHE 68 N 0.63 -0.82 -0.26 2.24 3.04 -1.97 -3.22 116.94 116.58 2ka5 h PHE 68 Ca 0.55 -0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.34 2ka5 h PHE 68 Cb 0.91 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 2ka5 h PHE 68 CO -0.05 -0.48 -0.42 0.77 -2.02 0.00 0.00 178.31 176.11 2ka5 h SER 69 N -1.14 0.68 -0.84 0.41 0.02 -1.87 -3.34 113.55 107.47 2ka5 h SER 69 Ca -0.09 -0.31 0.19 0.00 -0.84 0.00 0.00 61.79 60.73 2ka5 h SER 69 Cb 0.71 -0.19 -0.11 0.00 0.14 0.00 0.00 62.40 62.95 2ka5 h SER 69 CO 0.15 1.01 0.35 0.25 -1.14 0.00 0.00 176.83 177.45 2ka5 h LEU 70 N 0.52 0.29 -2.18 5.07 5.85 -1.37 0.21 115.31 123.71 2ka5 h LEU 70 Ca 0.04 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2ka5 h LEU 70 Cb 0.94 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2ka5 h LEU 70 CO 0.08 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.84 2ka5 n GLY 71 N -1.34 1.76 0.14 3.75 0.00 -1.23 -2.59 105.19 105.69 2ka5 n GLY 71 Ca 0.19 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 2ka5 n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ka5 h VAL 72 N 3.24 0.97 0.46 1.61 2.07 -0.75 -3.34 116.25 120.51 2ka5 h VAL 72 Ca 0.00 -2.54 -0.02 0.00 0.82 0.00 0.00 66.70 64.96 2ka5 h VAL 72 Cb 0.87 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 2ka5 h VAL 72 CO 0.05 0.85 -0.37 0.40 0.02 0.00 0.00 177.57 178.53 2ka5 h ILE 73 N 0.11 0.00 -0.86 4.57 1.08 -1.02 -0.96 117.51 120.44 2ka5 h ILE 73 Ca -0.33 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.31 2ka5 h ILE 73 Cb 2.10 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.69 2ka5 h ILE 73 CO 0.18 0.00 -0.20 0.55 -0.69 0.00 0.00 178.15 177.99 2ka5 n VAL 74 N -4.66 -0.36 -0.27 1.67 3.14 -1.18 -2.33 118.33 114.35 2ka5 n VAL 74 Ca -0.10 1.96 -0.05 0.00 -2.96 0.00 0.00 64.34 63.19 2ka5 n VAL 74 Cb 0.35 -2.72 0.06 0.00 -1.06 0.00 0.00 33.84 30.48 2ka5 n VAL 74 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2ka5 h ASN 75 N 0.00 0.88 -0.90 6.55 -0.73 -1.32 0.36 115.58 120.42 2ka5 h ASN 75 Ca 0.42 -0.05 0.09 0.00 1.87 0.00 0.00 56.30 58.62 2ka5 h ASN 75 Cb 0.65 -0.22 -0.07 0.00 0.27 0.00 0.00 38.32 38.94 2ka5 h ASN 75 CO -0.88 0.67 0.55 0.40 -0.37 0.00 0.00 177.43 177.80 2ka5 h ILE 76 N 1.01 0.97 0.12 2.57 2.04 -1.00 -1.75 117.51 121.47 2ka5 h ILE 76 Ca 0.27 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2ka5 h ILE 76 Cb -0.06 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 2ka5 h ILE 76 CO -0.05 0.17 -0.10 0.25 0.00 0.00 0.00 178.15 178.42 2ka5 h LEU 77 N 0.94 -0.26 -0.58 1.44 7.12 -0.95 -1.40 115.31 121.62 2ka5 h LEU 77 Ca 0.42 0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.51 2ka5 h LEU 77 Cb 0.32 0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.48 2ka5 h LEU 77 CO -0.22 -0.16 0.29 0.11 -0.13 0.00 0.00 178.44 178.33 2ka5 h LYS 78 N -0.23 0.53 -0.32 1.25 1.57 -0.65 0.23 116.57 118.95 2ka5 h LYS 78 Ca -0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2ka5 h LYS 78 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2ka5 h LYS 78 CO -0.02 0.35 0.20 0.66 -0.57 0.00 0.00 179.45 180.08 2ka5 h SER 79 N 0.55 0.35 -0.67 0.86 4.64 -1.22 -1.08 113.55 116.97 2ka5 h SER 79 Ca 0.26 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 2ka5 h SER 79 Cb 0.19 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2ka5 h SER 79 CO -0.19 0.25 0.23 0.40 -0.87 0.00 0.00 176.83 176.65 2ka5 h ILE 80 N 0.42 1.25 0.05 0.95 2.04 -0.07 0.14 117.51 122.29 2ka5 h ILE 80 Ca 0.12 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.15 2ka5 h ILE 80 Cb -0.04 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2ka5 h ILE 80 CO -0.03 0.33 -0.07 0.28 0.00 0.00 0.00 178.15 178.65 2ka5 h SER 81 N 0.97 -0.18 0.25 1.72 0.02 -0.42 0.13 113.55 116.05 2ka5 h SER 81 Ca 0.22 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2ka5 h SER 81 Cb 0.27 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2ka5 h SER 81 CO -0.01 -0.10 -0.12 0.28 -1.14 0.00 0.00 176.83 175.73 2ka5 h SER 82 N -0.14 0.00 0.05 3.07 0.02 -0.88 -2.91 113.55 112.75 2ka5 h SER 82 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2ka5 h SER 82 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2ka5 h SER 82 CO -0.03 0.12 -0.02 0.28 -1.14 0.00 0.00 176.83 176.04 2ka5 h SER 83 N 0.00 -0.05 0.00 3.07 0.02 -0.33 -3.49 113.55 112.76 2ka5 h SER 83 Ca -0.00 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2ka5 h SER 83 Cb 0.28 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2ka5 h SER 83 CO 0.02 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 176.93 2ka5 n GLY 84 N 0.82 1.08 0.00 -3.77 0.00 0.14 -5.08 105.19 98.38 2ka5 n GLY 84 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 4.33 2.81 -0.02 0.00 0.20 -5.00 105.19 107.51 2ka5 n GLY 85 Ca 0.00 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.52 -0.14 0.06 1.61 0.08 -0.46 -4.23 117.98 113.38 2ka5 s PHE 86 Ca 0.00 0.54 0.08 0.00 0.12 0.00 0.00 56.93 57.67 2ka5 s PHE 86 Cb 0.00 -0.30 -0.03 0.00 -0.57 0.00 0.00 43.02 42.12 2ka5 s PHE 86 CO 0.00 -0.28 -0.23 0.12 -0.10 0.00 0.00 175.22 174.73 2ka5 s PHE 87 N 2.28 2.02 0.29 0.36 5.36 -1.26 -3.37 117.98 123.66 2ka5 s PHE 87 Ca 0.03 -0.39 -0.11 0.00 -0.96 0.00 0.00 56.93 55.50 2ka5 s PHE 87 Cb -0.12 -1.18 0.01 0.00 -0.34 0.00 0.00 43.02 41.39 2ka5 s PHE 87 CO -0.06 0.15 0.54 0.00 -1.46 0.00 0.00 175.22 174.40 2ka5 s ALA 88 N -0.89 -0.14 0.34 11.12 0.00 -1.13 -3.74 121.76 127.31 2ka5 s ALA 88 Ca 0.09 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.18 2ka5 s ALA 88 Cb -0.09 1.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.98 2ka5 s ALA 88 CO 0.03 -0.87 -0.10 -0.51 0.00 0.00 0.00 175.76 174.30 2ka5 s LEU 89 N -3.07 2.71 0.01 0.00 1.43 -0.50 -2.21 118.68 117.04 2ka5 s LEU 89 Ca 0.23 -1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.13 2ka5 s LEU 89 Cb -0.02 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 2ka5 s LEU 89 CO 0.12 -0.19 0.01 -0.69 0.23 0.00 0.00 176.35 175.82 2ka5 s VAL 90 N -2.63 0.08 -1.16 -1.59 1.01 -0.33 -0.64 120.40 115.14 2ka5 s VAL 90 Ca 0.32 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2ka5 s VAL 90 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2ka5 s VAL 90 CO 0.16 -0.34 0.80 -0.24 0.00 0.00 0.00 175.10 175.47 2ka5 n SER 91 N 1.99 -4.74 -4.58 3.32 2.88 -0.86 -0.82 113.62 110.81 2ka5 n SER 91 Ca -0.20 -0.91 -0.39 0.00 -1.33 0.00 0.00 58.87 56.04 2ka5 n SER 91 Cb 0.56 -3.93 -0.02 0.00 -0.75 0.00 0.00 64.21 60.07 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 -5.62 3.53 0.43 -1.46 0.04 -1.26 -3.43 135.00 127.23 2ka5 s PRO 92 Ca 0.37 -1.63 -0.24 0.00 0.04 0.00 0.00 61.00 59.55 2ka5 s PRO 92 Cb -0.11 -5.43 -0.10 0.00 0.04 0.00 0.00 34.50 28.90 2ka5 s PRO 92 CO 0.82 -2.71 1.06 0.27 0.04 0.00 0.00 177.00 176.48 2ka5 n ASN 93 N 10.11 1.49 -0.23 6.66 6.94 -1.26 -4.59 115.26 134.38 2ka5 n ASN 93 Ca 0.46 1.04 0.12 0.00 -0.02 0.00 0.00 54.58 56.17 2ka5 n ASN 93 Cb 0.47 -1.38 0.41 0.00 -2.36 0.00 0.00 39.78 36.91 2ka5 n ASN 93 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2ka5 h GLU 94 N 1.59 0.61 -0.93 -3.83 4.81 -1.93 0.14 114.58 115.03 2ka5 h GLU 94 Ca -0.45 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 58.90 2ka5 h GLU 94 Cb 1.33 -0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 2ka5 h GLU 94 CO 0.57 0.41 0.54 -0.22 -0.73 0.00 0.00 179.01 179.57 2ka5 h LYS 95 N 0.63 0.72 0.00 1.92 1.63 -1.88 -1.67 116.57 117.93 2ka5 h LYS 95 Ca 0.40 -0.04 -0.21 0.00 -0.85 0.00 0.00 60.65 59.95 2ka5 h LYS 95 Cb 0.67 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 2ka5 h LYS 95 CO -0.16 0.48 -1.05 -0.24 -3.45 0.00 0.00 179.45 175.02 2ka5 h VAL 96 N 0.74 1.56 0.00 2.00 3.04 -0.88 -2.91 116.25 119.80 2ka5 h VAL 96 Ca 0.51 -3.27 -0.02 0.00 -1.01 0.00 0.00 66.70 62.92 2ka5 h VAL 96 Cb 0.71 2.77 -0.00 0.00 -2.01 0.00 0.00 31.29 32.76 2ka5 h VAL 96 CO -0.35 0.89 -0.10 -0.33 -1.01 0.00 0.00 177.57 176.67 2ka5 h GLU 97 N 0.00 0.00 -0.59 4.17 5.08 -1.34 0.56 114.58 122.46 2ka5 h GLU 97 Ca -0.04 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2ka5 h GLU 97 Cb 1.77 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.99 2ka5 h GLU 97 CO 0.12 0.10 0.39 0.07 -1.00 0.00 0.00 179.01 178.69 2ka5 h ARG 98 N 0.00 0.77 0.11 2.33 -0.00 -1.19 -1.83 114.38 114.57 2ka5 h ARG 98 Ca -0.00 -0.05 -0.28 0.00 -0.00 0.00 0.00 59.98 59.65 2ka5 h ARG 98 Cb 0.21 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.97 30.01 2ka5 h ARG 98 CO 0.01 0.51 -1.44 -0.24 -0.00 0.00 0.00 179.97 178.81 2ka5 h VAL 99 N 0.79 1.01 -0.07 0.08 3.04 -1.34 -2.98 116.25 116.77 2ka5 h VAL 99 Ca 0.22 -2.39 0.02 0.00 -1.01 0.00 0.00 66.70 63.54 2ka5 h VAL 99 Cb -0.07 2.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.90 2ka5 h VAL 99 CO -0.06 0.71 0.10 -0.07 -1.01 0.00 0.00 177.57 177.24 2ka5 h LEU 100 N -0.29 0.00 0.04 3.16 -0.00 -0.96 0.09 115.31 117.35 2ka5 h LEU 100 Ca -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2ka5 h LEU 100 Cb 1.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.43 2ka5 h LEU 100 CO 0.06 0.00 -0.02 -1.28 -0.00 0.00 0.00 178.44 177.20 2ka5 h SER 101 N 0.00 -0.04 0.05 -0.43 0.87 -1.37 0.25 113.55 112.88 2ka5 h SER 101 Ca 0.04 -0.63 0.01 0.00 -1.23 0.00 0.00 61.79 59.98 2ka5 h SER 101 Cb 0.23 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2ka5 h SER 101 CO -0.00 0.72 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.86 2ka5 h LEU 102 N -0.92 -0.25 0.00 2.23 3.38 -1.02 -1.70 115.31 117.03 2ka5 h LEU 102 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ka5 h LEU 102 Cb 0.67 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2ka5 h LEU 102 CO 0.01 -0.14 0.00 1.07 0.09 0.00 0.00 178.44 179.47 2ka5 n THR 103 N -5.21 0.33 -2.62 0.22 5.66 -0.12 -4.91 114.28 107.63 2ka5 n THR 103 Ca -0.07 0.08 -0.04 0.00 -3.05 0.00 0.00 64.05 60.97 2ka5 n THR 103 Cb 0.14 -0.74 0.01 0.00 -1.55 0.00 0.00 70.33 68.18 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 -1.26 -6.66 0.02 1.09 5.03 -0.64 -5.04 115.26 107.79 2ka5 n ASN 104 Ca 0.10 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.82 2ka5 n ASN 104 Cb 0.16 -4.45 0.00 0.00 -1.02 0.00 0.00 39.78 34.47 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 -0.76 0.12 0.29 3.41 -0.00 0.81 -4.63 117.00 116.24 2ka5 n LEU 105 Ca 0.06 0.05 0.14 0.00 -0.00 0.00 0.00 56.01 56.27 2ka5 n LEU 105 Cb 0.41 -0.01 0.88 0.00 -0.00 0.00 0.00 43.42 44.69 2ka5 n LEU 105 CO 0.39 -0.28 1.10 -2.24 -0.00 0.00 0.00 177.39 176.36 2ka5 h ASP 106 N 0.00 0.00 0.64 1.96 2.03 -1.59 0.17 116.42 119.63 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 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 2ka5 h ASP 106 CO 0.00 0.02 0.00 0.54 -1.03 0.00 0.00 179.24 178.77 2ka5 n ARG 107 N -3.87 0.13 0.00 4.15 1.74 -1.26 -4.00 116.66 113.54 2ka5 n ARG 107 Ca -0.03 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2ka5 n ARG 107 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.42 0.00 -4.27 0.55 5.41 -0.42 -5.05 119.36 114.16 2ka5 n ILE 108 Ca 0.08 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.52 2ka5 n ILE 108 Cb 0.23 -0.36 -0.10 0.00 -0.71 0.00 0.00 39.64 38.70 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 -1.48 3.40 0.73 1.39 1.01 0.47 -4.97 120.40 120.95 2ka5 s VAL 109 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 2ka5 s VAL 109 Cb 0.00 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.84 2ka5 s VAL 109 CO 0.00 0.15 1.07 -0.54 0.00 0.00 0.00 175.10 175.78 2ka5 s LYS 110 N -2.10 2.62 -0.05 2.72 -0.14 -1.25 -4.44 119.74 117.11 2ka5 s LYS 110 Ca 0.21 0.93 -0.09 0.00 -1.36 0.00 0.00 55.97 55.66 2ka5 s LYS 110 Cb -0.11 -1.96 0.02 0.00 -1.68 0.00 0.00 37.83 34.10 2ka5 s LYS 110 CO 0.13 -1.32 0.23 -1.50 -0.76 0.00 0.00 175.35 172.13 2ka5 s ILE 111 N -3.04 0.03 0.29 2.17 1.10 -1.26 -1.41 121.20 119.08 2ka5 s ILE 111 Ca 0.59 -0.26 -0.06 0.00 -0.51 0.00 0.00 60.65 60.41 2ka5 s ILE 111 Cb -0.15 -0.41 -0.01 0.00 0.15 0.00 0.00 42.46 42.04 2ka5 s ILE 111 CO 0.55 -0.15 0.42 -0.31 -2.11 0.00 0.00 174.94 173.35 2ka5 s TYR 112 N -0.53 0.82 -0.17 3.50 2.02 0.18 -4.88 117.35 118.30 2ka5 s TYR 112 Ca -0.06 -1.10 -0.13 0.00 -0.37 0.00 0.00 57.07 55.41 2ka5 s TYR 112 Cb -0.04 -0.06 -0.23 0.00 -0.40 0.00 0.00 41.96 41.24 2ka5 s TYR 112 CO 0.01 -1.01 0.26 -0.25 -1.57 0.00 0.00 175.55 173.00 2ka5 n ASP 113 N -0.85 2.01 -4.46 2.29 9.92 -1.26 -2.02 116.55 122.17 2ka5 n ASP 113 Ca 0.00 0.29 -0.22 0.00 -0.53 0.00 0.00 54.79 54.33 2ka5 n ASP 113 Cb 0.62 -0.89 -0.11 0.00 -0.64 0.00 0.00 41.12 40.10 2ka5 n ASP 113 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2ka5 s THR 114 N -2.48 1.42 0.22 -3.53 -4.23 -1.26 -3.52 115.64 102.26 2ka5 s THR 114 Ca -0.26 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.14 2ka5 s THR 114 Cb 0.07 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.37 2ka5 s THR 114 CO 0.68 -0.09 1.81 0.40 -0.54 0.00 0.00 174.62 176.88 2ka5 h ILE 115 N 2.12 1.26 -0.21 2.99 1.08 -1.96 -3.10 117.51 119.69 2ka5 h ILE 115 Ca -0.41 -0.76 -0.15 0.00 -0.39 0.00 0.00 64.86 63.15 2ka5 h ILE 115 Cb 1.24 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 2ka5 h ILE 115 CO 0.70 0.32 -0.50 -1.28 -0.69 0.00 0.00 178.15 176.71 2ka5 h SER 116 N 1.19 0.63 0.26 1.72 0.87 -1.99 0.25 113.55 116.48 2ka5 h SER 116 Ca 0.28 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2ka5 h SER 116 Cb 0.15 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2ka5 h SER 116 CO -0.03 1.02 0.00 -0.62 -0.53 0.00 0.00 176.83 176.67 2ka5 n GLU 117 N -3.98 0.20 -0.10 2.24 1.02 -1.21 -2.67 120.64 116.13 2ka5 n GLU 117 Ca -0.03 0.15 -0.18 0.00 -0.02 0.00 0.00 57.16 57.08 2ka5 n GLU 117 Cb 0.58 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.41 2ka5 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka5 n ALA 118 N -1.28 1.58 0.05 0.62 0.00 -0.39 -4.46 120.51 116.62 2ka5 n ALA 118 Ca 0.07 -0.86 -0.11 0.00 0.00 0.00 0.00 53.44 52.53 2ka5 n ALA 118 Cb 0.11 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.35 -0.20 -0.52 0.00 -1.53 -0.35 0.20 114.93 112.18 2ka5 h MET 119 Ca -0.50 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 55.78 2ka5 h MET 119 Cb 1.60 0.05 0.00 0.00 -0.55 0.00 0.00 31.60 32.70 2ka5 h MET 119 CO -0.19 -0.13 0.00 -0.85 0.14 0.00 0.00 176.91 175.87 2ka5 n GLU 120 N -5.26 3.27 -0.01 0.39 0.28 -1.24 -4.35 120.64 113.73 2ka5 n GLU 120 Ca -0.05 -2.64 -0.05 0.00 -0.16 0.00 0.00 57.16 54.26 2ka5 n GLU 120 Cb 0.18 -1.69 -0.02 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 0.78 0.19 -0.34 3.44 4.07 -0.80 -4.69 120.64 123.28 2ka5 n GLU 121 Ca 0.21 0.08 0.19 0.00 -0.06 0.00 0.00 57.16 57.58 2ka5 n GLU 121 Cb 0.74 -0.83 0.42 0.00 -0.06 0.00 0.00 31.44 31.70 2ka5 n GLU 121 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2ka5 h VAL 122 N -0.35 0.54 -0.38 6.31 3.04 -0.87 0.34 116.25 124.89 2ka5 h VAL 122 Ca -0.05 -0.19 0.10 0.00 -1.01 0.00 0.00 66.70 65.56 2ka5 h VAL 122 Cb 0.51 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.73 2ka5 h VAL 122 CO -0.03 0.10 0.27 0.03 -1.01 0.00 0.00 177.57 176.93 2ka5 h ARG 123 N 0.54 0.05 -0.30 4.17 3.08 -1.76 -3.05 114.38 117.11 2ka5 h ARG 123 Ca 0.63 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.46 2ka5 h ARG 123 Cb 1.29 -0.01 -0.35 0.00 0.08 0.00 0.00 29.97 30.98 2ka5 h ARG 123 CO -0.42 0.03 -0.95 2.89 -1.07 0.00 0.00 179.97 180.44 2ka5 n ARG 124 N -4.44 1.45 0.00 0.04 -4.01 -0.13 -5.07 116.66 104.50 2ka5 n ARG 124 Ca 0.06 -2.92 0.00 0.00 -1.04 0.00 0.00 57.85 53.95 2ka5 n ARG 124 Cb 0.42 -1.06 0.00 0.00 -3.04 0.00 0.00 32.46 28.78 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95