#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 -0.49 0.41 3.17 0.00 -1.26 -5.14 107.32 104.02 2ka5 s GLY 2 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.68 2ka5 s GLY 2 CO 0.00 0.33 0.00 1.44 0.00 0.00 0.00 173.10 174.87 2ka5 n SER 3 N -0.23 -9.21 0.22 1.64 7.64 -1.26 -4.87 113.62 107.55 2ka5 n SER 3 Ca -0.10 1.31 -0.15 0.00 1.01 0.00 0.00 58.87 60.94 2ka5 n SER 3 Cb 0.62 -4.93 -0.07 0.00 -1.01 0.00 0.00 64.21 58.82 2ka5 n SER 3 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ka5 h ASP 4 N 2.68 -0.74 -5.07 6.43 3.58 -2.08 -3.45 116.42 117.77 2ka5 h ASP 4 Ca 0.00 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.41 2ka5 h ASP 4 Cb 0.00 0.24 -0.17 0.00 1.72 0.00 0.00 39.33 41.12 2ka5 h ASP 4 CO 0.00 -0.42 -0.28 -0.75 -2.88 0.00 0.00 179.24 174.91 2ka5 s LYS 5 N -6.06 0.80 0.07 0.28 2.20 -1.26 -5.14 119.74 110.64 2ka5 s LYS 5 Ca -0.16 -0.57 -0.31 0.00 -0.36 0.00 0.00 55.97 54.57 2ka5 s LYS 5 Cb 0.06 0.34 -0.06 0.00 -1.51 0.00 0.00 37.83 36.66 2ka5 s LYS 5 CO 0.64 -0.26 1.22 -1.50 -0.36 0.00 0.00 175.35 175.09 2ka5 s ILE 6 N -2.72 3.94 0.46 5.43 -1.16 -1.26 -4.93 121.20 120.96 2ka5 s ILE 6 Ca -0.04 1.40 0.12 0.00 -0.51 0.00 0.00 60.65 61.63 2ka5 s ILE 6 Cb -0.00 -3.90 0.24 0.00 0.61 0.00 0.00 42.46 39.41 2ka5 s ILE 6 CO -0.04 0.11 2.06 0.45 -2.81 0.00 0.00 174.94 174.71 2ka5 h HIS 7 N 6.73 0.20 -6.69 3.50 3.86 -2.02 -3.47 115.15 117.27 2ka5 h HIS 7 Ca -0.42 -0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.33 2ka5 h HIS 7 Cb 1.21 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 29.62 2ka5 h HIS 7 CO 0.67 0.18 -1.14 1.58 0.86 0.00 0.00 177.93 180.08 2ka5 n HIS 8 N -4.45 -2.19 -4.10 2.45 -0.00 -1.26 -5.02 115.22 100.65 2ka5 n HIS 8 Ca -0.01 0.91 -0.12 0.00 0.46 0.00 0.00 57.72 58.96 2ka5 n HIS 8 Cb 0.13 -2.41 -0.06 0.00 -0.12 0.00 0.00 29.99 27.52 2ka5 n HIS 8 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2ka5 s HIS 9 N -2.51 0.87 0.00 1.57 2.46 -1.26 -5.02 115.29 111.39 2ka5 s HIS 9 Ca 0.12 -1.13 0.00 0.00 0.47 0.00 0.00 55.06 54.52 2ka5 s HIS 9 Cb -0.01 -0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.29 2ka5 s HIS 9 CO 0.88 -0.93 0.00 1.58 -2.47 0.00 0.00 174.74 173.81 2ka5 n HIS 10 N -0.42 0.00 -2.40 3.88 -0.00 -1.26 -4.89 115.22 110.14 2ka5 n HIS 10 Ca 0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 2ka5 n HIS 10 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.60 2ka5 n HIS 10 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ka5 s HIS 11 N 0.00 3.05 -0.32 1.57 4.02 -1.26 -5.05 115.29 117.30 2ka5 s HIS 11 Ca 0.00 1.55 -0.02 0.00 1.02 0.00 0.00 55.06 57.61 2ka5 s HIS 11 Cb 0.00 -3.01 0.11 0.00 -1.02 0.00 0.00 32.58 28.66 2ka5 s HIS 11 CO 0.00 -0.83 0.16 -3.38 1.02 0.00 0.00 174.74 171.71 2ka5 s HIS 12 N -2.19 0.72 -0.24 1.40 -3.43 -1.26 -5.10 115.29 105.19 2ka5 s HIS 12 Ca 0.65 -1.32 -0.10 0.00 -0.80 0.00 0.00 55.06 53.50 2ka5 s HIS 12 Cb -0.15 -1.07 0.10 0.00 -1.43 0.00 0.00 32.58 30.03 2ka5 s HIS 12 CO 0.25 -0.83 0.53 1.41 -2.00 0.00 0.00 174.74 174.10 2ka5 s MET 13 N 1.61 0.47 -0.42 -0.38 0.00 -1.26 -5.11 119.30 114.21 2ka5 s MET 13 Ca 0.12 1.17 0.04 0.00 0.00 0.00 0.00 55.69 57.02 2ka5 s MET 13 Cb -0.19 0.43 0.17 0.00 0.00 0.00 0.00 34.83 35.24 2ka5 s MET 13 CO -0.21 -0.21 0.41 -0.59 0.00 0.00 0.00 175.02 174.43 2ka5 s PHE 14 N 2.39 0.21 -0.65 4.11 -0.71 -1.26 -5.03 117.98 117.05 2ka5 s PHE 14 Ca -0.05 -1.59 -0.07 0.00 -1.04 0.00 0.00 56.93 54.17 2ka5 s PHE 14 Cb -0.10 -0.56 -0.18 0.00 -1.21 0.00 0.00 43.02 40.97 2ka5 s PHE 14 CO -0.16 -0.95 3.33 -0.35 -1.34 0.00 0.00 175.22 175.75 2ka5 n PRO 15 N 3.27 2.70 -3.84 1.99 -0.04 -1.26 -4.80 135.00 133.03 2ka5 n PRO 15 Ca 0.22 -1.55 -0.06 0.00 -0.04 0.00 0.00 63.50 62.07 2ka5 n PRO 15 Cb 0.48 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.64 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 1.28 0.07 0.35 0.54 -0.85 -1.26 -0.65 117.35 116.83 2ka5 s TYR 16 Ca 0.68 -0.60 -0.06 0.00 -0.52 0.00 0.00 57.07 56.57 2ka5 s TYR 16 Cb 0.27 0.77 0.02 0.00 0.38 0.00 0.00 41.96 43.39 2ka5 s TYR 16 CO -0.03 -1.26 0.55 -1.59 -1.52 0.00 0.00 175.55 171.70 2ka5 s LYS 17 N -2.42 1.99 -0.02 -3.49 -2.85 0.10 -4.82 119.74 108.23 2ka5 s LYS 17 Ca 0.17 -1.68 0.03 0.00 -1.00 0.00 0.00 55.97 53.49 2ka5 s LYS 17 Cb -0.04 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 2ka5 s LYS 17 CO 0.08 -0.86 -0.09 0.42 0.10 0.00 0.00 175.35 175.00 2ka5 s ILE 18 N -2.87 0.80 0.00 3.79 1.09 -1.26 -0.88 121.20 121.87 2ka5 s ILE 18 Ca 0.27 -0.38 0.00 0.00 -1.10 0.00 0.00 60.65 59.44 2ka5 s ILE 18 Cb -0.02 -0.71 0.00 0.00 -1.06 0.00 0.00 42.46 40.68 2ka5 s ILE 18 CO 0.18 0.25 0.00 1.33 -0.10 0.00 0.00 174.94 176.60 2ka5 n VAL 19 N 3.22 0.00 0.00 2.92 0.24 -0.38 -4.98 118.33 119.35 2ka5 n VAL 19 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 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 0.47 -2.14 0.00 0.00 176.83 175.16 2ka5 n ASP 20 N 0.00 0.00 0.00 -1.34 9.92 -1.26 -4.51 116.55 119.36 2ka5 n ASP 20 Ca 0.00 0.82 0.00 0.00 -0.53 0.00 0.00 54.79 55.08 2ka5 n ASP 20 Cb 0.00 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 2ka5 n ASP 20 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2ka5 n ASP 21 N -2.07 0.00 -4.76 -2.24 5.75 -1.26 -5.09 116.55 106.88 2ka5 n ASP 21 Ca 0.00 -1.00 -0.36 0.00 -0.01 0.00 0.00 54.79 53.42 2ka5 n ASP 21 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ka5 s VAL 22 N 0.00 5.34 0.25 2.12 1.01 -1.26 -4.58 120.40 123.28 2ka5 s VAL 22 Ca 0.00 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.17 2ka5 s VAL 22 Cb 0.00 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 2ka5 s VAL 22 CO 0.00 0.45 0.81 -0.69 0.00 0.00 0.00 175.10 175.67 2ka5 s VAL 23 N 0.11 4.41 -0.21 2.92 1.01 -0.57 -1.25 120.40 126.81 2ka5 s VAL 23 Ca 0.14 1.55 0.02 0.00 0.00 0.00 0.00 61.98 63.69 2ka5 s VAL 23 Cb -0.13 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.33 2ka5 s VAL 23 CO 0.03 0.24 -0.13 -0.63 0.00 0.00 0.00 175.10 174.61 2ka5 s ILE 24 N -1.49 1.91 0.38 2.22 1.09 -0.06 -0.45 121.20 124.81 2ka5 s ILE 24 Ca 0.44 -1.19 -0.24 0.00 -1.10 0.00 0.00 60.65 58.56 2ka5 s ILE 24 Cb -0.19 -1.93 -0.10 0.00 -1.06 0.00 0.00 42.46 39.18 2ka5 s ILE 24 CO 0.23 0.19 0.96 -0.76 -0.10 0.00 0.00 174.94 175.46 2ka5 s LEU 25 N 1.28 4.14 -0.41 2.97 2.01 -0.25 0.02 118.68 128.43 2ka5 s LEU 25 Ca -0.02 1.80 0.05 0.00 0.01 0.00 0.00 54.13 55.97 2ka5 s LEU 25 Cb -0.17 -4.27 0.19 0.00 0.01 0.00 0.00 46.19 41.95 2ka5 s LEU 25 CO -0.08 -0.25 0.39 0.23 1.01 0.00 0.00 176.35 177.64 2ka5 n MET 26 N -0.05 0.30 -2.00 1.70 2.81 0.17 -1.89 117.12 118.17 2ka5 n MET 26 Ca 0.05 -3.16 -0.37 0.00 -1.81 0.00 0.00 57.70 52.42 2ka5 n MET 26 Cb 0.52 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 2ka5 n MET 26 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2ka5 s PRO 27 N -0.19 2.56 -1.26 0.03 0.04 -1.25 -4.19 135.00 130.74 2ka5 s PRO 27 Ca 0.33 0.55 -0.19 0.00 0.04 0.00 0.00 61.00 61.73 2ka5 s PRO 27 Cb 0.07 -4.49 0.01 0.00 0.04 0.00 0.00 34.50 30.13 2ka5 s PRO 27 CO -0.18 -2.88 1.83 0.27 0.04 0.00 0.00 177.00 176.08 2ka5 n ASN 28 N 13.21 4.24 -3.63 6.66 6.94 -1.26 -4.16 115.26 137.26 2ka5 n ASN 28 Ca 0.24 -2.84 -0.24 0.00 -0.02 0.00 0.00 54.58 51.72 2ka5 n ASN 28 Cb 0.52 -1.73 -0.04 0.00 -2.36 0.00 0.00 39.78 36.17 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 8.21 -1.84 -0.00 -3.83 0.00 -1.24 -4.81 118.16 114.66 2ka5 n LYS 29 Ca 0.48 0.11 0.03 0.00 -0.00 0.00 0.00 58.31 58.93 2ka5 n LYS 29 Cb 0.46 -4.66 -0.04 0.00 -0.00 0.00 0.00 35.03 30.78 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 -3.40 4.03 -1.99 -1.58 0.28 -1.26 -4.91 120.64 111.80 2ka5 n GLU 30 Ca 0.06 -0.01 -0.26 0.00 -0.16 0.00 0.00 57.16 56.79 2ka5 n GLU 30 Cb 0.48 -0.88 -0.06 0.00 1.43 0.00 0.00 31.44 32.40 2ka5 n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ka5 s LEU 31 N -2.50 3.00 -0.27 -1.84 1.02 -1.26 -4.65 118.68 112.18 2ka5 s LEU 31 Ca 0.02 -1.28 0.10 0.00 0.02 0.00 0.00 54.13 52.99 2ka5 s LEU 31 Cb 0.05 -2.58 0.46 0.00 0.02 0.00 0.00 46.19 44.14 2ka5 s LEU 31 CO 0.29 -3.21 1.18 0.59 0.02 0.00 0.00 176.35 175.22 2ka5 n ASN 32 N 15.03 3.93 0.00 2.29 3.02 -1.26 -4.84 115.26 133.43 2ka5 n ASN 32 Ca 0.43 -3.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.48 2ka5 n ASN 32 Cb 0.47 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2ka5 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka5 n ILE 33 N -0.72 0.00 -0.62 2.41 0.00 -1.26 -4.82 119.36 114.35 2ka5 n ILE 33 Ca 0.35 0.00 0.48 0.00 0.00 0.00 0.00 62.75 63.58 2ka5 n ILE 33 Cb 0.91 0.00 0.77 0.00 0.00 0.00 0.00 39.64 41.33 2ka5 n ILE 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2ka5 h GLU 34 N 0.14 0.01 -0.00 9.51 5.08 -1.93 -0.81 114.58 126.58 2ka5 h GLU 34 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ka5 h GLU 34 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ka5 h GLU 34 CO 0.00 0.00 -0.05 0.27 -1.00 0.00 0.00 179.01 178.24 2ka5 n ASN 35 N -4.22 0.74 0.01 1.42 6.94 -1.26 -4.84 115.26 114.06 2ka5 n ASN 35 Ca 0.42 -0.87 -0.12 0.00 -0.02 0.00 0.00 54.58 53.99 2ka5 n ASN 35 Cb 1.84 0.43 -0.09 0.00 -2.36 0.00 0.00 39.78 39.60 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ka5 h ALA 36 N 0.44 -0.10 -0.82 -2.53 0.00 -1.55 -0.50 119.26 114.19 2ka5 h ALA 36 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ka5 h ALA 36 Cb 0.09 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2ka5 h ALA 36 CO 0.00 -0.25 0.52 1.12 0.00 0.00 0.00 179.25 180.64 2ka5 h HIS 37 N -0.72 1.06 0.00 0.00 2.07 -1.88 -1.97 115.15 113.70 2ka5 h HIS 37 Ca -0.01 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2ka5 h HIS 37 Cb 0.57 -0.35 0.00 0.00 2.57 0.00 0.00 27.41 30.20 2ka5 h HIS 37 CO 0.11 0.69 0.00 1.37 -3.07 0.00 0.00 177.93 177.03 2ka5 h LEU 38 N 1.12 0.00 -0.80 6.12 8.10 -1.89 -3.35 115.31 124.61 2ka5 h LEU 38 Ca 0.30 0.00 0.10 0.00 0.11 0.00 0.00 57.88 58.39 2ka5 h LEU 38 Cb -0.08 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.06 2ka5 h LEU 38 CO -0.06 0.00 0.43 0.15 -4.11 0.00 0.00 178.44 174.85 2ka5 h PHE 39 N 0.00 0.78 0.25 0.17 3.57 -0.27 0.16 116.94 121.60 2ka5 h PHE 39 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2ka5 h PHE 39 Cb 0.76 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2ka5 h PHE 39 CO 0.00 0.29 -0.12 -0.22 -2.23 0.00 0.00 178.31 176.03 2ka5 h LYS 40 N 0.71 -0.32 -0.71 1.11 3.64 -1.71 0.16 116.57 119.44 2ka5 h LYS 40 Ca 0.40 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.95 2ka5 h LYS 40 Cb 0.42 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.20 2ka5 h LYS 40 CO -0.27 -0.15 0.13 -0.22 -2.27 0.00 0.00 179.45 176.67 2ka5 h LYS 41 N -0.42 0.22 0.39 1.90 3.11 -1.31 -0.18 116.57 120.29 2ka5 h LYS 41 Ca -0.03 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.77 2ka5 h LYS 41 Cb 0.32 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 2ka5 h LYS 41 CO 0.06 0.15 -0.19 2.35 -2.81 0.00 0.00 179.45 179.00 2ka5 h TRP 42 N 0.23 -0.49 -0.76 1.91 7.01 -0.55 -1.84 115.95 121.46 2ka5 h TRP 42 Ca 0.40 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.52 2ka5 h TRP 42 Cb 0.68 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.84 2ka5 h TRP 42 CO -0.29 -0.30 0.50 0.28 -2.79 0.00 0.00 178.44 175.84 2ka5 h VAL 43 N -0.59 0.85 0.16 2.65 2.07 -0.73 0.11 116.25 120.78 2ka5 h VAL 43 Ca -0.05 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2ka5 h VAL 43 Cb 0.40 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2ka5 h VAL 43 CO 0.09 0.10 -0.11 -0.26 0.02 0.00 0.00 177.57 177.41 2ka5 h PHE 44 N 0.53 -0.28 0.04 1.57 -1.00 -1.08 -1.80 116.94 114.91 2ka5 h PHE 44 Ca 0.37 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.16 2ka5 h PHE 44 Cb 0.70 0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.34 2ka5 h PHE 44 CO -0.00 -0.16 -0.10 -0.44 -1.61 0.00 0.00 178.31 176.00 2ka5 h ASP 45 N -0.25 -0.28 0.33 2.17 5.19 -0.38 0.30 116.42 123.49 2ka5 h ASP 45 Ca -0.02 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.33 2ka5 h ASP 45 Cb 0.20 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 2ka5 h ASP 45 CO 0.02 -0.15 -0.40 -0.08 -3.12 0.00 0.00 179.24 175.51 2ka5 h GLU 46 N -0.19 0.09 0.00 3.56 4.22 -0.93 -3.29 114.58 118.04 2ka5 h GLU 46 Ca 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2ka5 h GLU 46 Cb 0.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2ka5 h GLU 46 CO -0.08 0.48 0.00 1.19 -2.18 0.00 0.00 179.01 178.42 2ka5 n PHE 47 N -4.05 -0.91 0.14 0.92 3.72 -1.02 -4.56 117.46 111.70 2ka5 n PHE 47 Ca -0.02 0.16 -0.13 0.00 -0.05 0.00 0.00 57.45 57.41 2ka5 n PHE 47 Cb 0.45 0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 39.30 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 -0.64 -1.68 4.37 3.38 -0.46 -0.29 115.31 120.00 2ka5 h LEU 48 Ca 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2ka5 h LEU 48 Cb 0.00 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2ka5 h LEU 48 CO 0.00 -0.34 -0.14 0.78 0.09 0.00 0.00 178.44 178.84 2ka5 h ASN 49 N -0.48 0.00 0.46 -0.43 2.35 -0.63 -0.56 115.58 116.29 2ka5 h ASN 49 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2ka5 h ASN 49 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2ka5 h ASN 49 CO -0.08 0.14 0.00 1.17 -1.65 0.00 0.00 177.43 177.00 2ka5 n LYS 50 N -3.48 0.27 -0.02 0.81 4.81 -0.40 -4.92 118.16 115.24 2ka5 n LYS 50 Ca -0.01 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2ka5 n LYS 50 Cb 0.30 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.85 2ka5 n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ka5 n GLY 51 N 0.61 0.86 3.77 3.14 0.00 -0.22 -4.98 105.19 108.38 2ka5 n GLY 51 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.01 2.68 0.00 1.61 1.51 -0.26 -4.99 117.35 115.90 2ka5 s TYR 52 Ca 0.00 1.33 0.00 0.00 -1.01 0.00 0.00 57.07 57.39 2ka5 s TYR 52 Cb 0.00 -3.07 0.00 0.00 -0.11 0.00 0.00 41.96 38.78 2ka5 s TYR 52 CO 0.00 -1.85 0.12 -1.71 -1.11 0.00 0.00 175.55 171.01 2ka5 n ASN 53 N -3.52 0.00 -3.66 2.29 4.05 -1.26 -4.53 115.26 108.63 2ka5 n ASN 53 Ca 0.08 -1.00 -0.19 0.00 0.45 0.00 0.00 54.58 53.92 2ka5 n ASN 53 Cb 0.55 0.00 -0.17 0.00 1.23 0.00 0.00 39.78 41.39 2ka5 n ASN 53 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2ka5 s LYS 54 N 0.00 -0.02 0.20 1.20 1.02 -1.26 -1.78 119.74 119.11 2ka5 s LYS 54 Ca 0.00 0.42 0.11 0.00 0.02 0.00 0.00 55.97 56.52 2ka5 s LYS 54 Cb 0.00 -0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 36.74 2ka5 s LYS 54 CO 0.00 -0.35 -0.23 0.42 -0.92 0.00 0.00 175.35 174.26 2ka5 s ILE 55 N 2.22 2.39 0.21 2.17 1.09 -1.16 -1.52 121.20 126.61 2ka5 s ILE 55 Ca 0.04 -2.08 0.04 0.00 -1.10 0.00 0.00 60.65 57.55 2ka5 s ILE 55 Cb -0.12 -2.16 -0.05 0.00 -1.06 0.00 0.00 42.46 39.07 2ka5 s ILE 55 CO -0.05 -0.15 -0.03 -0.36 -0.10 0.00 0.00 174.94 174.25 2ka5 s PHE 56 N -1.78 1.51 -0.18 3.97 0.08 0.41 -3.31 117.98 118.69 2ka5 s PHE 56 Ca 0.22 -0.87 -0.00 0.00 0.12 0.00 0.00 56.93 56.40 2ka5 s PHE 56 Cb -0.08 -0.85 0.04 0.00 -0.57 0.00 0.00 43.02 41.57 2ka5 s PHE 56 CO 0.11 0.01 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.01 2ka5 s LEU 57 N -3.28 1.78 -0.46 -0.37 2.96 -0.79 -1.09 118.68 117.44 2ka5 s LEU 57 Ca 0.26 -0.74 -0.27 0.00 -0.22 0.00 0.00 54.13 53.15 2ka5 s LEU 57 Cb 0.05 -0.98 0.03 0.00 0.50 0.00 0.00 46.19 45.79 2ka5 s LEU 57 CO 0.07 -0.18 1.03 -0.69 -1.32 0.00 0.00 176.35 175.25 2ka5 s VAL 58 N 1.58 4.35 -0.93 1.68 1.01 -0.79 -1.17 120.40 126.14 2ka5 s VAL 58 Ca -0.00 1.01 0.23 0.00 0.00 0.00 0.00 61.98 63.22 2ka5 s VAL 58 Cb -0.16 -4.51 0.20 0.00 0.00 0.00 0.00 36.38 31.91 2ka5 s VAL 58 CO -0.08 -0.90 1.72 0.18 0.00 0.00 0.00 175.10 176.03 2ka5 n LEU 59 N 7.46 0.14 0.24 3.92 7.99 -0.09 -3.36 117.00 133.30 2ka5 n LEU 59 Ca 0.09 0.52 0.18 0.00 -0.01 0.00 0.00 56.01 56.79 2ka5 n LEU 59 Cb 0.49 -0.49 0.87 0.00 -0.11 0.00 0.00 43.42 44.18 2ka5 n LEU 59 CO 0.67 -0.16 1.15 0.28 -1.51 0.00 0.00 177.39 177.82 2ka5 h SER 60 N 0.00 0.00 0.38 -1.43 0.02 -1.70 -0.88 113.55 109.94 2ka5 h SER 60 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ka5 h SER 60 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2ka5 h SER 60 CO 0.00 0.00 -1.03 -0.67 -1.14 0.00 0.00 176.83 173.99 2ka5 n ASP 61 N -3.47 0.62 -3.61 3.07 -0.08 -1.21 -4.83 116.55 107.03 2ka5 n ASP 61 Ca 0.01 -0.27 -0.29 0.00 -1.51 0.00 0.00 54.79 52.73 2ka5 n ASP 61 Cb 0.34 0.83 -0.15 0.00 2.34 0.00 0.00 41.12 44.47 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 -3.18 0.23 0.16 5.18 0.11 -0.34 -3.66 120.40 118.90 2ka5 s VAL 62 Ca 0.04 -0.87 -0.16 0.00 -2.93 0.00 0.00 61.98 58.06 2ka5 s VAL 62 Cb 0.15 -1.14 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2ka5 s VAL 62 CO 0.81 -0.64 1.72 -0.08 -3.33 0.00 0.00 175.10 173.57 2ka5 h GLU 63 N 8.31 0.17 -3.08 1.54 4.57 -1.88 -3.44 114.58 120.77 2ka5 h GLU 63 Ca -0.18 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 2ka5 h GLU 63 Cb 1.03 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.53 2ka5 h GLU 63 CO 0.43 0.11 0.19 -1.12 -1.18 0.00 0.00 179.01 177.44 2ka5 s SER 64 N -5.30 -0.22 0.08 1.04 0.01 -1.26 -4.53 113.70 103.51 2ka5 s SER 64 Ca -0.13 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.47 2ka5 s SER 64 Cb 0.13 0.72 -0.03 0.00 0.21 0.00 0.00 66.02 67.04 2ka5 s SER 64 CO 0.71 -1.34 -0.07 -0.51 0.41 0.00 0.00 173.24 172.44 2ka5 s ILE 65 N -3.85 0.64 0.38 1.44 2.07 -1.26 -5.04 121.20 115.57 2ka5 s ILE 65 Ca 0.13 -1.59 -0.03 0.00 -1.41 0.00 0.00 60.65 57.75 2ka5 s ILE 65 Cb -0.05 -1.25 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 2ka5 s ILE 65 CO 0.08 -0.67 0.63 -0.62 -1.91 0.00 0.00 174.94 172.45 2ka5 s ASP 66 N -2.45 6.33 0.60 4.50 -1.08 -1.26 -4.93 116.67 118.38 2ka5 s ASP 66 Ca 0.03 0.69 0.30 0.00 -0.52 0.00 0.00 52.55 53.05 2ka5 s ASP 66 Cb -0.01 -2.14 1.68 0.00 -1.46 0.00 0.00 42.92 41.00 2ka5 s ASP 66 CO -0.03 -0.36 2.07 0.28 0.52 0.00 0.00 175.17 177.66 2ka5 h SER 67 N 0.84 0.00 -0.13 -0.34 0.02 -2.02 -2.32 113.55 109.61 2ka5 h SER 67 Ca -0.48 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.49 2ka5 h SER 67 Cb 1.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 2ka5 h SER 67 CO 0.63 0.00 -0.30 2.19 -1.14 0.00 0.00 176.83 178.20 2ka5 h PHE 68 N 0.00 -0.91 0.00 3.45 -5.15 -2.02 -3.24 116.94 109.08 2ka5 h PHE 68 Ca 0.09 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.90 2ka5 h PHE 68 Cb 0.56 0.41 0.00 0.00 0.22 0.00 0.00 35.95 37.14 2ka5 h PHE 68 CO 0.00 -0.29 -0.99 0.45 -2.00 0.00 0.00 178.31 175.48 2ka5 n SER 69 N -4.15 0.64 -0.27 -0.68 2.88 -0.92 -3.24 113.62 107.87 2ka5 n SER 69 Ca -0.03 -0.03 0.17 0.00 -1.33 0.00 0.00 58.87 57.65 2ka5 n SER 69 Cb 0.20 0.67 0.46 0.00 -0.75 0.00 0.00 64.21 64.78 2ka5 n SER 69 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ka5 h LEU 70 N 0.00 0.51 0.00 2.46 3.38 -1.46 0.72 115.31 120.92 2ka5 h LEU 70 Ca 0.00 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2ka5 h LEU 70 Cb 0.80 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2ka5 h LEU 70 CO 0.00 0.21 -0.62 1.23 0.09 0.00 0.00 178.44 179.35 2ka5 h GLY 71 N 0.51 0.00 1.54 0.83 0.00 -1.57 -3.28 103.07 101.10 2ka5 h GLY 71 Ca 0.49 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.64 2ka5 h GLY 71 CO -0.22 0.00 -0.67 -0.24 0.00 0.00 0.00 176.54 175.41 2ka5 h VAL 72 N 0.00 1.35 -0.34 4.60 3.04 -0.96 -2.39 116.25 121.56 2ka5 h VAL 72 Ca -0.02 -2.01 0.07 0.00 -1.01 0.00 0.00 66.70 63.72 2ka5 h VAL 72 Cb 1.41 1.99 -0.06 0.00 -2.01 0.00 0.00 31.29 32.62 2ka5 h VAL 72 CO 0.06 0.61 -0.08 0.40 -1.01 0.00 0.00 177.57 177.56 2ka5 h ILE 73 N 0.33 0.67 0.03 3.17 5.03 -1.31 -1.46 117.51 123.97 2ka5 h ILE 73 Ca -0.02 -0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.74 2ka5 h ILE 73 Cb 1.24 0.66 -0.03 0.00 -3.03 0.00 0.00 36.82 35.66 2ka5 h ILE 73 CO 0.12 0.00 -0.15 0.58 -0.68 0.00 0.00 178.15 178.02 2ka5 h VAL 74 N 0.00 0.64 -0.10 1.67 2.07 -1.59 -2.70 116.25 116.24 2ka5 h VAL 74 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 2ka5 h VAL 74 Cb 0.24 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2ka5 h VAL 74 CO -0.34 0.00 0.22 -1.13 0.02 0.00 0.00 177.57 176.34 2ka5 h ASN 75 N -0.27 0.00 0.14 0.57 -0.73 -0.76 0.18 115.58 114.72 2ka5 h ASN 75 Ca 0.04 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 58.01 2ka5 h ASN 75 Cb 0.31 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.93 2ka5 h ASN 75 CO -0.13 0.00 -0.87 0.40 -0.37 0.00 0.00 177.43 176.46 2ka5 h ILE 76 N 0.00 1.48 -0.38 2.57 2.04 -1.12 -3.29 117.51 118.82 2ka5 h ILE 76 Ca 0.05 -2.54 0.07 0.00 1.00 0.00 0.00 64.86 63.44 2ka5 h ILE 76 Cb 0.49 3.17 -0.06 0.00 -0.74 0.00 0.00 36.82 39.68 2ka5 h ILE 76 CO -0.00 0.72 0.01 0.25 0.00 0.00 0.00 178.15 179.13 2ka5 h LEU 77 N -0.35 -0.13 -0.77 1.44 7.12 -0.41 -1.70 115.31 120.51 2ka5 h LEU 77 Ca -0.16 0.08 0.05 0.00 0.13 0.00 0.00 57.88 57.99 2ka5 h LEU 77 Cb 1.67 0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 41.89 2ka5 h LEU 77 CO 0.15 -0.03 0.47 0.11 -0.13 0.00 0.00 178.44 179.01 2ka5 h LYS 78 N 0.12 0.84 0.43 1.25 1.57 -1.42 0.19 116.57 119.55 2ka5 h LYS 78 Ca 0.19 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2ka5 h LYS 78 Cb 0.25 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2ka5 h LYS 78 CO -0.30 0.56 -0.21 0.77 -0.57 0.00 0.00 179.45 179.70 2ka5 h SER 79 N 0.87 -0.49 -0.81 0.86 0.02 -1.50 -2.92 113.55 109.58 2ka5 h SER 79 Ca 0.33 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.34 2ka5 h SER 79 Cb 0.13 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2ka5 h SER 79 CO -0.16 -0.34 0.50 0.40 -1.14 0.00 0.00 176.83 176.09 2ka5 h ILE 80 N -0.59 1.06 -0.96 3.27 2.04 -0.54 -0.63 117.51 121.17 2ka5 h ILE 80 Ca -0.06 -0.32 0.17 0.00 1.00 0.00 0.00 64.86 65.64 2ka5 h ILE 80 Cb 0.45 0.03 -0.10 0.00 -0.74 0.00 0.00 36.82 36.46 2ka5 h ILE 80 CO 0.10 0.17 0.56 -1.28 0.00 0.00 0.00 178.15 177.70 2ka5 h SER 81 N 0.94 0.73 -0.02 1.72 0.87 -0.95 -1.40 113.55 115.44 2ka5 h SER 81 Ca 0.35 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 2ka5 h SER 81 Cb 0.12 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2ka5 h SER 81 CO -0.15 0.30 0.00 -0.24 -0.53 0.00 0.00 176.83 176.20 2ka5 n SER 82 N -4.77 0.67 0.00 6.23 2.88 -0.26 -4.16 113.62 114.20 2ka5 n SER 82 Ca 0.21 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 2ka5 n SER 82 Cb 0.49 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2ka5 n SER 82 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ka5 n SER 83 N -0.45 1.19 0.00 -3.46 7.64 -0.60 -5.03 113.62 112.90 2ka5 n SER 83 Ca 0.20 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2ka5 n SER 83 Cb 0.21 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 2ka5 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka5 n GLY 84 N 0.91 1.50 1.24 0.23 0.00 -0.96 -5.07 105.19 103.04 2ka5 n GLY 84 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2ka5 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka5 n GLY 85 N 0.00 1.97 3.14 -0.02 0.00 -0.75 -5.02 105.19 104.51 2ka5 n GLY 85 Ca 0.00 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.16 0.98 -0.02 1.61 0.40 -0.73 -4.42 117.98 115.64 2ka5 s PHE 86 Ca 0.19 -0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 55.86 2ka5 s PHE 86 Cb -0.02 -0.55 0.01 0.00 0.51 0.00 0.00 43.02 42.97 2ka5 s PHE 86 CO 0.12 -0.02 0.17 0.12 0.70 0.00 0.00 175.22 176.31 2ka5 s PHE 87 N -1.99 -0.05 0.31 0.36 5.36 -1.26 -2.97 117.98 117.74 2ka5 s PHE 87 Ca 0.00 0.09 -0.15 0.00 -0.96 0.00 0.00 56.93 55.91 2ka5 s PHE 87 Cb -0.06 -0.00 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 2ka5 s PHE 87 CO 0.00 -0.24 0.63 0.00 -1.46 0.00 0.00 175.22 174.16 2ka5 s ALA 88 N -0.94 -0.55 0.32 11.12 0.00 -1.21 -4.19 121.76 126.31 2ka5 s ALA 88 Ca -0.10 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 51.21 2ka5 s ALA 88 Cb -0.06 0.91 -0.06 0.00 0.00 0.00 0.00 23.12 23.91 2ka5 s ALA 88 CO 0.01 -0.94 -0.11 -0.51 0.00 0.00 0.00 175.76 174.21 2ka5 s LEU 89 N -3.03 2.66 -0.03 0.00 1.43 -0.64 -1.88 118.68 117.19 2ka5 s LEU 89 Ca 0.18 -1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.10 2ka5 s LEU 89 Cb -0.03 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2ka5 s LEU 89 CO 0.10 -0.17 0.08 -0.69 0.23 0.00 0.00 176.35 175.90 2ka5 s VAL 90 N -2.66 -0.03 -1.12 -1.59 1.01 -0.31 -1.10 120.40 114.60 2ka5 s VAL 90 Ca 0.31 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 2ka5 s VAL 90 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.23 2ka5 s VAL 90 CO 0.15 0.04 0.83 -0.24 0.00 0.00 0.00 175.10 175.88 2ka5 n SER 91 N 3.62 -5.58 -0.00 3.32 2.88 -0.64 -0.92 113.62 116.30 2ka5 n SER 91 Ca -0.20 -0.92 -0.12 0.00 -1.33 0.00 0.00 58.87 56.30 2ka5 n SER 91 Cb 0.55 -3.94 -0.10 0.00 -0.75 0.00 0.00 64.21 59.97 2ka5 n SER 91 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2ka5 h PRO 92 N -1.66 -0.07 0.00 -1.46 0.11 -1.90 -3.35 132.00 123.66 2ka5 h PRO 92 Ca -0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.47 2ka5 h PRO 92 Cb 1.35 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2ka5 h PRO 92 CO 0.47 0.50 0.00 0.09 -0.21 0.00 0.00 178.00 178.86 2ka5 n ASN 93 N -4.82 0.00 -0.22 -2.05 3.02 -1.26 -3.50 115.26 106.42 2ka5 n ASN 93 Ca -0.08 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.67 2ka5 n ASN 93 Cb 0.30 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.01 2ka5 n ASN 93 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2ka5 h GLU 94 N 0.00 0.34 -0.12 3.52 -0.00 -1.98 -0.84 114.58 115.50 2ka5 h GLU 94 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.32 2ka5 h GLU 94 Cb 0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 28.67 2ka5 h GLU 94 CO 0.00 0.22 0.01 0.87 -0.00 0.00 0.00 179.01 180.12 2ka5 h LYS 95 N 0.35 0.21 0.00 1.06 1.79 -1.91 0.46 116.57 118.53 2ka5 h LYS 95 Ca 0.45 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2ka5 h LYS 95 Cb 1.21 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2ka5 h LYS 95 CO -0.15 0.42 -0.00 0.28 -1.08 0.00 0.00 179.45 178.92 2ka5 h VAL 96 N -0.03 1.35 0.00 0.50 2.07 -1.47 -3.29 116.25 115.38 2ka5 h VAL 96 Ca 0.04 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.56 2ka5 h VAL 96 Cb 0.32 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2ka5 h VAL 96 CO 0.00 0.45 0.00 -0.62 0.02 0.00 0.00 177.57 177.43 2ka5 n GLU 97 N -4.66 0.01 0.00 1.57 -0.58 -0.37 -0.98 120.64 115.63 2ka5 n GLU 97 Ca -0.08 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 2ka5 n GLU 97 Cb 0.36 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 2ka5 n GLU 97 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2ka5 n ARG 98 N -1.49 0.00 0.16 3.49 5.12 0.15 -3.97 116.66 120.12 2ka5 n ARG 98 Ca 0.01 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 2ka5 n ARG 98 Cb 0.07 -1.19 0.24 0.00 -1.16 0.00 0.00 32.46 30.42 2ka5 n ARG 98 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2ka5 h VAL 99 N 0.00 1.34 0.00 1.55 2.07 -1.13 0.30 116.25 120.39 2ka5 h VAL 99 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2ka5 h VAL 99 Cb 0.00 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2ka5 h VAL 99 CO 0.00 0.52 0.06 0.18 0.02 0.00 0.00 177.57 178.35 2ka5 n LEU 100 N -3.86 0.26 -0.12 2.57 4.77 -0.35 -0.47 117.00 119.80 2ka5 n LEU 100 Ca -0.01 0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 56.40 2ka5 n LEU 100 Cb 0.55 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.90 2ka5 n LEU 100 CO 0.41 -0.67 -1.26 -0.24 -1.33 0.00 0.00 177.39 174.29 2ka5 n SER 101 N -1.83 1.50 0.27 -1.43 2.88 0.10 -0.56 113.62 114.56 2ka5 n SER 101 Ca -0.01 -0.09 0.18 0.00 -1.33 0.00 0.00 58.87 57.62 2ka5 n SER 101 Cb 0.08 0.01 0.90 0.00 -0.75 0.00 0.00 64.21 64.45 2ka5 n SER 101 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ka5 h LEU 102 N 0.00 0.00 -2.46 2.46 4.07 -0.80 -3.19 115.31 115.39 2ka5 h LEU 102 Ca -0.55 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.41 2ka5 h LEU 102 Cb 1.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.71 2ka5 h LEU 102 CO -0.05 0.00 -0.13 1.07 -1.08 0.00 0.00 178.44 178.25 2ka5 n THR 103 N -2.85 0.95 -3.55 0.22 5.66 0.38 -5.05 114.28 110.04 2ka5 n THR 103 Ca -0.01 -1.09 -0.38 0.00 -3.05 0.00 0.00 64.05 59.51 2ka5 n THR 103 Cb 0.14 0.28 0.04 0.00 -1.55 0.00 0.00 70.33 69.24 2ka5 n THR 103 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2ka5 n ASN 104 N -0.67 -5.40 0.00 1.09 2.04 -1.21 -4.94 115.26 106.17 2ka5 n ASN 104 Ca 0.06 -0.25 0.00 0.00 -0.44 0.00 0.00 54.58 53.95 2ka5 n ASN 104 Cb 0.55 -1.61 0.00 0.00 -2.53 0.00 0.00 39.78 36.19 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 2ka5 n LEU 105 N -0.44 0.09 0.28 -4.53 -0.00 0.28 -4.71 117.00 107.97 2ka5 n LEU 105 Ca -0.11 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.03 2ka5 n LEU 105 Cb 0.69 0.00 0.80 0.00 -0.00 0.00 0.00 43.42 44.91 2ka5 n LEU 105 CO 0.57 -0.30 1.04 -2.24 -0.00 0.00 0.00 177.39 176.46 2ka5 h ASP 106 N 0.00 0.00 0.57 1.96 2.03 -1.27 -0.23 116.42 119.48 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 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 2ka5 h ASP 106 CO 0.00 0.07 -0.63 -2.11 -1.03 0.00 0.00 179.24 175.54 2ka5 n ARG 107 N -3.78 0.12 -0.10 4.15 1.85 -1.26 -4.29 116.66 113.35 2ka5 n ARG 107 Ca -0.02 0.02 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 2ka5 n ARG 107 Cb 0.17 -1.56 -0.07 0.00 -1.05 0.00 0.00 32.46 29.95 2ka5 n ARG 107 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2ka5 n ILE 108 N -1.72 1.14 -4.36 8.89 5.41 -0.93 -5.02 119.36 122.77 2ka5 n ILE 108 Ca 0.04 -0.23 -0.33 0.00 1.00 0.00 0.00 62.75 63.23 2ka5 n ILE 108 Cb 0.38 -1.81 -0.09 0.00 -0.71 0.00 0.00 39.64 37.40 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 -2.40 4.14 0.86 1.39 1.01 -0.14 -5.10 120.40 120.17 2ka5 s VAL 109 Ca -0.27 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 2ka5 s VAL 109 Cb 0.10 -2.79 0.11 0.00 0.00 0.00 0.00 36.38 33.79 2ka5 s VAL 109 CO 0.35 0.48 1.09 -0.54 0.00 0.00 0.00 175.10 176.48 2ka5 s LYS 110 N -1.25 1.56 -0.05 2.72 1.02 -1.26 -4.56 119.74 117.92 2ka5 s LYS 110 Ca 0.17 0.95 -0.13 0.00 0.02 0.00 0.00 55.97 56.98 2ka5 s LYS 110 Cb -0.11 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 2ka5 s LYS 110 CO 0.07 -2.07 0.30 -1.50 -0.92 0.00 0.00 175.35 171.23 2ka5 s ILE 111 N -2.92 0.04 0.20 2.17 2.07 -1.26 -1.62 121.20 119.88 2ka5 s ILE 111 Ca 0.63 -0.30 -0.10 0.00 -1.41 0.00 0.00 60.65 59.47 2ka5 s ILE 111 Cb -0.18 -0.53 -0.01 0.00 0.13 0.00 0.00 42.46 41.87 2ka5 s ILE 111 CO 0.57 -0.17 0.35 -0.31 -1.91 0.00 0.00 174.94 173.47 2ka5 s TYR 112 N -0.74 0.45 -0.10 3.50 2.02 -0.26 -4.89 117.35 117.34 2ka5 s TYR 112 Ca -0.08 -0.80 -0.09 0.00 -0.37 0.00 0.00 57.07 55.73 2ka5 s TYR 112 Cb -0.04 -0.01 -0.27 0.00 -0.40 0.00 0.00 41.96 41.24 2ka5 s TYR 112 CO 0.03 -0.82 0.45 -0.44 -1.57 0.00 0.00 175.55 173.20 2ka5 h ASP 113 N 2.43 0.45 -2.91 2.29 5.19 -1.90 -1.72 116.42 120.25 2ka5 h ASP 113 Ca -0.30 -0.93 -0.51 0.00 -0.62 0.00 0.00 57.03 54.67 2ka5 h ASP 113 Cb 1.24 -0.15 -0.14 0.00 0.18 0.00 0.00 39.33 40.47 2ka5 h ASP 113 CO 0.44 1.81 -0.58 0.42 -3.12 0.00 0.00 179.24 178.20 2ka5 s THR 114 N -2.55 1.14 0.13 0.35 -4.23 -1.26 -3.12 115.64 106.10 2ka5 s THR 114 Ca -0.21 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.18 2ka5 s THR 114 Cb 0.06 -2.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.15 2ka5 s THR 114 CO 0.78 0.00 1.45 0.40 -0.54 0.00 0.00 174.62 176.71 2ka5 h ILE 115 N 1.97 1.28 -0.19 2.99 1.08 -1.95 -3.14 117.51 119.55 2ka5 h ILE 115 Ca -0.40 -1.56 -0.08 0.00 -0.39 0.00 0.00 64.86 62.43 2ka5 h ILE 115 Cb 1.25 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.46 2ka5 h ILE 115 CO 0.68 0.52 -0.22 -1.28 -0.69 0.00 0.00 178.15 177.16 2ka5 h SER 116 N 0.67 0.33 0.27 1.72 0.87 -1.99 0.27 113.55 115.69 2ka5 h SER 116 Ca 0.05 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2ka5 h SER 116 Cb 0.98 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2ka5 h SER 116 CO 0.09 0.57 0.00 1.21 -0.53 0.00 0.00 176.83 178.17 2ka5 n GLU 117 N -4.16 0.06 -0.04 2.24 2.13 -1.19 -3.07 120.64 116.60 2ka5 n GLU 117 Ca -0.01 0.44 -0.06 0.00 0.66 0.00 0.00 57.16 58.20 2ka5 n GLU 117 Cb 0.36 -1.66 -0.04 0.00 0.27 0.00 0.00 31.44 30.37 2ka5 n GLU 117 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ka5 n ALA 118 N -1.60 1.82 -0.12 4.31 0.00 -0.38 -4.45 120.51 120.09 2ka5 n ALA 118 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 2ka5 n ALA 118 Cb 0.10 0.29 0.02 0.00 0.00 0.00 0.00 19.45 19.85 2ka5 n ALA 118 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2ka5 h MET 119 N 0.00 0.39 0.00 0.00 4.05 -0.46 0.19 114.93 119.10 2ka5 h MET 119 Ca -0.19 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2ka5 h MET 119 Cb 1.30 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 2ka5 h MET 119 CO -0.03 0.26 -1.00 -0.85 0.23 0.00 0.00 176.91 175.52 2ka5 n GLU 120 N -4.92 0.60 -0.08 0.39 0.28 -1.26 -4.45 120.64 111.20 2ka5 n GLU 120 Ca 0.01 0.12 -0.16 0.00 -0.16 0.00 0.00 57.16 56.97 2ka5 n GLU 120 Cb 0.09 -1.82 -0.12 0.00 1.43 0.00 0.00 31.44 31.02 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 0.00 3.44 4.57 -1.48 -3.30 114.58 117.81 2ka5 h GLU 121 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2ka5 h GLU 121 Cb 0.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2ka5 h GLU 121 CO 0.00 0.96 0.28 -0.24 -1.18 0.00 0.00 179.01 178.83 2ka5 h VAL 122 N -1.00 0.00 -0.11 0.32 3.04 -0.89 0.58 116.25 118.19 2ka5 h VAL 122 Ca -0.12 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.53 2ka5 h VAL 122 Cb 1.08 0.45 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2ka5 h VAL 122 CO -0.07 0.00 -0.09 0.03 -1.01 0.00 0.00 177.57 176.42 2ka5 h ARG 123 N 0.00 0.25 -0.29 4.17 2.47 -1.78 -3.41 114.38 115.80 2ka5 h ARG 123 Ca 0.00 -0.13 -0.22 0.00 -1.26 0.00 0.00 59.98 58.37 2ka5 h ARG 123 Cb 0.55 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.49 2ka5 h ARG 123 CO 0.00 0.65 -1.05 2.89 0.56 0.00 0.00 179.97 183.03 2ka5 n ARG 124 N -4.65 1.23 0.00 0.04 -4.01 0.89 -5.16 116.66 105.00 2ka5 n ARG 124 Ca -0.07 -2.97 0.00 0.00 -1.04 0.00 0.00 57.85 53.77 2ka5 n ARG 124 Cb 0.32 -1.06 0.00 0.00 -3.04 0.00 0.00 32.46 28.68 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95