#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ka9 s LYS 4 N 0.00 4.07 -0.03 0.03 2.47 -1.26 -1.88 119.74 123.14 1ka9 s LYS 4 Ca 0.00 0.01 0.07 0.00 -1.56 0.00 0.00 55.97 54.49 1ka9 s LYS 4 Cb 0.00 -3.36 -0.02 0.00 -1.46 0.00 0.00 37.83 32.99 1ka9 s LYS 4 CO 0.00 0.39 -0.24 0.00 0.16 0.00 0.00 175.35 175.65 1ka9 s ALA 5 N 0.04 2.05 -0.25 3.13 0.00 0.01 -1.35 121.76 125.39 1ka9 s ALA 5 Ca 0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1ka9 s ALA 5 Cb -0.13 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1ka9 s ALA 5 CO 0.03 0.47 -0.05 -1.17 0.00 0.00 0.00 175.76 175.05 1ka9 s LEU 6 N -0.47 3.17 -0.18 0.00 0.20 0.01 -1.60 118.68 119.82 1ka9 s LEU 6 Ca 0.06 -0.77 -0.22 0.00 0.69 0.00 0.00 54.13 53.89 1ka9 s LEU 6 Cb -0.10 -1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 1ka9 s LEU 6 CO 0.00 -0.11 0.70 -0.22 -0.29 0.00 0.00 176.35 176.43 1ka9 s LEU 7 N 1.37 4.17 -0.41 -0.68 2.96 0.12 -1.11 118.68 125.09 1ka9 s LEU 7 Ca 0.02 0.97 -0.28 0.00 -0.22 0.00 0.00 54.13 54.62 1ka9 s LEU 7 Cb -0.16 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.54 1ka9 s LEU 7 CO -0.04 -0.30 1.07 -0.63 -1.32 0.00 0.00 176.35 175.13 1ka9 s ILE 8 N 1.89 4.38 -0.28 6.68 1.01 -0.02 -3.07 121.20 131.80 1ka9 s ILE 8 Ca 0.32 1.34 -0.16 0.00 0.00 0.00 0.00 60.65 62.15 1ka9 s ILE 8 Cb -0.16 -4.49 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 1ka9 s ILE 8 CO 0.12 -0.76 0.44 -0.62 0.00 0.00 0.00 174.94 174.12 1ka9 s ASP 9 N 2.10 6.33 0.00 3.58 -1.08 -0.98 -4.49 116.67 122.13 1ka9 s ASP 9 Ca 0.45 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.82 1ka9 s ASP 9 Cb -0.10 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1ka9 s ASP 9 CO 0.24 -0.26 0.00 0.00 0.52 0.00 0.00 175.17 175.67 1ka9 n TYR 10 N 5.46 0.00 0.00 -5.34 0.18 -1.26 -4.31 117.16 111.88 1ka9 n TYR 10 Ca -0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1ka9 n TYR 10 Cb 0.50 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1ka9 n TYR 10 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ka9 n GLY 11 N 0.09 0.00 3.47 -7.48 0.00 -1.26 -4.90 105.19 95.11 1ka9 n GLY 11 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ka9 n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ka9 s SER 12 N 0.00 -0.04 0.00 1.61 1.04 -1.26 -5.01 113.70 110.04 1ka9 s SER 12 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1ka9 s SER 12 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1ka9 s SER 12 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1ka9 n GLY 13 N -0.32 0.75 2.94 7.32 0.00 -1.26 -4.24 105.19 110.38 1ka9 n GLY 13 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1ka9 n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ka9 n ASN 14 N 0.00 -2.35 -0.21 1.61 0.23 -1.26 -4.62 115.26 108.67 1ka9 n ASN 14 Ca 0.00 0.01 0.16 0.00 -0.53 0.00 0.00 54.58 54.22 1ka9 n ASN 14 Cb 0.00 -2.05 0.26 0.00 -2.08 0.00 0.00 39.78 35.91 1ka9 n ASN 14 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ka9 n LEU 15 N -3.04 0.03 0.13 -4.53 4.77 -1.26 -1.66 117.00 111.44 1ka9 n LEU 15 Ca -0.02 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 1ka9 n LEU 15 Cb 0.53 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1ka9 n LEU 15 CO 0.28 -0.40 0.60 -0.09 -1.33 0.00 0.00 177.39 176.44 1ka9 h ARG 16 N 0.00 -0.32 -0.38 3.23 2.43 -1.99 0.79 114.38 118.15 1ka9 h ARG 16 Ca 0.31 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1ka9 h ARG 16 Cb 1.14 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1ka9 h ARG 16 CO -0.06 -0.01 0.21 0.77 -1.51 0.00 0.00 179.97 179.38 1ka9 h SER 17 N -0.64 0.34 -0.55 -3.80 0.02 -1.67 0.12 113.55 107.36 1ka9 h SER 17 Ca -0.03 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1ka9 h SER 17 Cb 0.46 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1ka9 h SER 17 CO 0.06 0.25 0.16 0.00 -1.14 0.00 0.00 176.83 176.15 1ka9 h ALA 18 N 1.17 0.73 -0.29 3.77 0.00 -1.64 0.19 119.26 123.19 1ka9 h ALA 18 Ca 0.15 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ka9 h ALA 18 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ka9 h ALA 18 CO -0.08 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.66 1ka9 h ALA 19 N 1.03 0.33 -0.56 0.00 0.00 -0.40 -0.39 119.26 119.27 1ka9 h ALA 19 Ca 0.18 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1ka9 h ALA 19 Cb 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ka9 h ALA 19 CO -0.00 -0.32 -0.09 0.87 0.00 0.00 0.00 179.25 179.71 1ka9 h LYS 20 N 0.21 1.04 -0.80 0.00 1.79 -0.71 -1.96 116.57 116.13 1ka9 h LYS 20 Ca 0.13 -0.37 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 1ka9 h LYS 20 Cb 0.12 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 1ka9 h LYS 20 CO -0.15 1.06 0.47 0.00 -1.08 0.00 0.00 179.45 179.76 1ka9 h ALA 21 N 0.96 1.33 -0.22 3.86 0.00 -0.20 -0.59 119.26 124.40 1ka9 h ALA 21 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ka9 h ALA 21 Cb 0.65 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ka9 h ALA 21 CO 0.05 0.57 -0.04 -0.07 0.00 0.00 0.00 179.25 179.76 1ka9 h LEU 22 N 1.10 0.42 -0.66 0.00 3.38 -0.82 -2.22 115.31 116.50 1ka9 h LEU 22 Ca 0.29 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ka9 h LEU 22 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1ka9 h LEU 22 CO -0.05 0.67 0.42 -0.33 0.09 0.00 0.00 178.44 179.23 1ka9 h GLU 23 N 0.16 0.89 -0.56 1.13 5.08 -1.10 -1.95 114.58 118.22 1ka9 h GLU 23 Ca 0.06 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1ka9 h GLU 23 Cb 0.48 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1ka9 h GLU 23 CO 0.02 0.62 0.37 0.00 -1.00 0.00 0.00 179.01 179.02 1ka9 h ALA 24 N 1.22 1.66 0.00 3.43 0.00 -1.02 -2.05 119.26 122.50 1ka9 h ALA 24 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ka9 h ALA 24 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1ka9 h ALA 24 CO -0.05 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1ka9 n ALA 25 N -2.46 2.36 0.00 0.00 0.00 -0.84 -4.90 120.51 114.67 1ka9 n ALA 25 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ka9 n ALA 25 Cb 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1ka9 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ka9 n GLY 26 N 1.23 1.83 3.79 0.00 0.00 -0.77 -4.64 105.19 106.63 1ka9 n GLY 26 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1ka9 n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ka9 s PHE 27 N -1.85 3.38 -0.30 1.61 0.40 -0.79 -4.78 117.98 115.65 1ka9 s PHE 27 Ca 0.00 1.67 -0.20 0.00 -0.60 0.00 0.00 56.93 57.80 1ka9 s PHE 27 Cb 0.00 -3.00 -0.01 0.00 0.51 0.00 0.00 43.02 40.52 1ka9 s PHE 27 CO 0.00 -0.29 0.61 0.45 0.70 0.00 0.00 175.22 176.69 1ka9 s SER 28 N -1.75 6.49 0.09 1.36 0.15 -0.79 -3.91 113.70 115.33 1ka9 s SER 28 Ca 0.57 0.45 0.03 0.00 0.70 0.00 0.00 55.95 57.71 1ka9 s SER 28 Cb -0.18 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1ka9 s SER 28 CO 0.23 -0.44 0.09 -0.69 1.20 0.00 0.00 173.24 173.62 1ka9 s VAL 29 N 2.55 4.54 -0.12 4.45 1.01 -1.26 -0.81 120.40 130.77 1ka9 s VAL 29 Ca 0.25 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1ka9 s VAL 29 Cb -0.15 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1ka9 s VAL 29 CO 0.11 0.11 0.30 0.00 0.00 0.00 0.00 175.10 175.62 1ka9 s ALA 30 N -1.42 -0.73 0.49 5.51 0.00 -0.63 -4.96 121.76 120.02 1ka9 s ALA 30 Ca 0.29 1.02 0.08 0.00 0.00 0.00 0.00 51.96 53.35 1ka9 s ALA 30 Cb -0.12 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.42 1ka9 s ALA 30 CO 0.22 -0.18 0.67 0.08 0.00 0.00 0.00 175.76 176.55 1ka9 s VAL 31 N 0.74 2.69 0.00 0.00 1.01 -1.26 0.10 120.40 123.68 1ka9 s VAL 31 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1ka9 s VAL 31 Cb -0.06 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1ka9 s VAL 31 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.05 1ka9 n ALA 32 N -2.05 0.00 0.17 5.51 0.00 -1.18 -4.82 120.51 118.15 1ka9 n ALA 32 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1ka9 n ALA 32 Cb 0.60 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.19 1ka9 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ka9 n GLN 33 N -0.19 2.03 -4.40 0.00 10.64 -1.26 -2.32 117.38 121.89 1ka9 n GLN 33 Ca 0.00 -1.87 -0.34 0.00 -1.83 0.00 0.00 57.00 52.97 1ka9 n GLN 33 Cb 0.00 -1.34 -0.15 0.00 -0.86 0.00 0.00 30.24 27.90 1ka9 n GLN 33 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1ka9 s ASP 34 N -1.13 3.88 0.42 2.61 2.15 -1.26 -4.98 116.67 118.35 1ka9 s ASP 34 Ca 0.25 -0.42 0.06 0.00 0.43 0.00 0.00 52.55 52.87 1ka9 s ASP 34 Cb 0.15 -1.62 0.33 0.00 -0.30 0.00 0.00 42.92 41.48 1ka9 s ASP 34 CO 0.21 0.07 1.04 -0.65 -0.17 0.00 0.00 175.17 175.67 1ka9 h PRO 35 N 7.40 0.00 0.00 4.34 0.11 -1.92 0.65 132.00 142.58 1ka9 h PRO 35 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1ka9 h PRO 35 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ka9 h PRO 35 CO 0.58 0.00 -0.07 1.17 -0.21 0.00 0.00 178.00 179.48 1ka9 n LYS 36 N -2.06 1.45 -2.60 1.05 3.00 -1.26 -4.92 118.16 112.82 1ka9 n LYS 36 Ca -0.00 -2.00 -0.35 0.00 -0.00 0.00 0.00 58.31 55.95 1ka9 n LYS 36 Cb 0.65 -1.20 -0.04 0.00 0.00 0.00 0.00 35.03 34.44 1ka9 n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ka9 s ALA 37 N -1.90 3.00 -0.06 3.14 0.00 0.22 -4.26 121.76 121.90 1ka9 s ALA 37 Ca 0.18 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 1ka9 s ALA 37 Cb 0.16 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1ka9 s ALA 37 CO 0.02 -0.17 0.05 0.72 0.00 0.00 0.00 175.76 176.38 1ka9 n HIS 38 N -0.46 -0.54 0.06 0.00 8.25 -1.26 -4.87 115.22 116.40 1ka9 n HIS 38 Ca 0.07 0.23 -0.04 0.00 -0.26 0.00 0.00 57.72 57.72 1ka9 n HIS 38 Cb 0.51 -1.32 -0.08 0.00 1.12 0.00 0.00 29.99 30.22 1ka9 n HIS 38 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1ka9 h GLU 39 N 3.44 0.00 -0.06 -0.41 5.08 -1.97 -3.31 114.58 117.35 1ka9 h GLU 39 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ka9 h GLU 39 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ka9 h GLU 39 CO 0.02 0.68 0.00 -1.91 -1.00 0.00 0.00 179.01 176.80 1ka9 n GLU 40 N -3.20 1.16 -1.99 2.33 4.07 -1.26 -4.91 120.64 116.85 1ka9 n GLU 40 Ca -0.04 -0.25 -0.42 0.00 -0.06 0.00 0.00 57.16 56.39 1ka9 n GLU 40 Cb 0.89 -1.15 -0.03 0.00 -0.06 0.00 0.00 31.44 31.09 1ka9 n GLU 40 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ka9 s ALA 41 N -1.92 3.73 -0.12 4.31 0.00 -1.25 -4.93 121.76 121.58 1ka9 s ALA 41 Ca 0.14 1.31 -0.24 0.00 0.00 0.00 0.00 51.96 53.18 1ka9 s ALA 41 Cb 0.07 -3.60 -0.21 0.00 0.00 0.00 0.00 23.12 19.38 1ka9 s ALA 41 CO 0.11 -0.74 0.68 -0.44 0.00 0.00 0.00 175.76 175.36 1ka9 h ASP 42 N 6.70 -0.01 -3.59 0.00 3.32 -1.76 -3.45 116.42 117.64 1ka9 h ASP 42 Ca -0.43 -0.78 -0.65 0.00 0.02 0.00 0.00 57.03 55.19 1ka9 h ASP 42 Cb 1.21 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.54 1ka9 h ASP 42 CO 0.90 0.86 -0.63 -0.22 -1.72 0.00 0.00 179.24 178.43 1ka9 s LEU 43 N -8.36 3.43 -0.04 1.55 2.96 -0.46 -3.76 118.68 114.00 1ka9 s LEU 43 Ca -0.15 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.42 1ka9 s LEU 43 Cb -0.02 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1ka9 s LEU 43 CO 0.57 -0.01 0.39 -0.76 -1.32 0.00 0.00 176.35 175.22 1ka9 s LEU 44 N 1.45 4.42 -0.17 -0.68 1.43 -0.78 -0.81 118.68 123.54 1ka9 s LEU 44 Ca 0.05 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1ka9 s LEU 44 Cb -0.15 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.55 1ka9 s LEU 44 CO 0.03 0.27 -0.15 -0.69 0.23 0.00 0.00 176.35 176.04 1ka9 s VAL 45 N -0.72 1.77 -0.40 -1.59 1.01 -0.27 -1.13 120.40 119.07 1ka9 s VAL 45 Ca 0.23 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1ka9 s VAL 45 Cb -0.16 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1ka9 s VAL 45 CO 0.12 0.42 0.26 -0.22 0.00 0.00 0.00 175.10 175.67 1ka9 s LEU 46 N 1.39 4.97 0.00 3.92 2.96 0.24 -0.84 118.68 131.33 1ka9 s LEU 46 Ca 0.03 -1.08 0.04 0.00 -0.22 0.00 0.00 54.13 52.91 1ka9 s LEU 46 Cb -0.14 -2.07 0.04 0.00 0.50 0.00 0.00 46.19 44.52 1ka9 s LEU 46 CO -0.11 -0.45 0.33 -0.81 -1.32 0.00 0.00 176.35 173.99 1ka9 n PRO 47 N 5.05 0.85 0.00 0.98 -0.04 -1.26 -0.29 135.00 140.29 1ka9 n PRO 47 Ca -0.11 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1ka9 n PRO 47 Cb 0.46 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1ka9 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ka9 n GLY 48 N 1.95 3.99 3.10 0.55 0.00 -1.24 -4.22 105.19 109.31 1ka9 n GLY 48 Ca 0.06 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1ka9 n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ka9 s GLN 49 N -1.96 0.37 0.00 1.61 -0.21 -1.26 -3.12 119.66 115.09 1ka9 s GLN 49 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.31 1ka9 s GLN 49 Cb 0.00 0.16 0.00 0.00 1.00 0.00 0.00 33.01 34.17 1ka9 s GLN 49 CO 0.00 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1ka9 n GLY 50 N 2.16 -1.69 3.58 3.09 0.00 -1.26 -4.73 105.19 106.35 1ka9 n GLY 50 Ca -0.18 -2.21 -0.48 0.00 0.00 0.00 0.00 46.02 43.15 1ka9 n GLY 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ka9 n HIS 51 N -0.39 1.32 -0.09 1.61 -0.00 -1.26 -4.80 115.22 111.61 1ka9 n HIS 51 Ca 0.00 0.67 -0.01 0.00 0.46 0.00 0.00 57.72 58.84 1ka9 n HIS 51 Cb 0.00 -2.28 0.24 0.00 -0.12 0.00 0.00 29.99 27.83 1ka9 n HIS 51 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1ka9 h PHE 52 N 3.11 0.76 0.13 1.57 3.57 -1.97 0.41 116.94 124.52 1ka9 h PHE 52 Ca -0.42 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1ka9 h PHE 52 Cb 1.34 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ka9 h PHE 52 CO 0.53 0.63 -0.06 0.78 -2.23 0.00 0.00 178.31 177.95 1ka9 h GLY 53 N 0.91 -0.19 0.53 2.40 0.00 -1.90 -1.19 103.07 103.63 1ka9 h GLY 53 Ca 0.16 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.63 1ka9 h GLY 53 CO -0.01 -0.07 0.17 -1.61 0.00 0.00 0.00 176.54 175.02 1ka9 h GLN 54 N -0.64 0.33 -0.20 4.80 -0.00 -1.85 -0.90 115.11 116.65 1ka9 h GLN 54 Ca -0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1ka9 h GLN 54 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.88 1ka9 h GLN 54 CO 0.03 0.22 0.06 0.28 0.00 0.00 0.00 178.83 179.41 1ka9 h VAL 55 N 0.34 1.20 -0.80 2.39 2.07 -0.21 -0.29 116.25 120.94 1ka9 h VAL 55 Ca 0.23 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ka9 h VAL 55 Cb 0.25 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1ka9 h VAL 55 CO -0.24 0.19 0.50 -0.03 0.02 0.00 0.00 177.57 178.01 1ka9 h MET 56 N 0.14 1.08 0.40 1.57 4.05 -0.91 -0.58 114.93 120.68 1ka9 h MET 56 Ca 0.06 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1ka9 h MET 56 Cb 0.25 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 1ka9 h MET 56 CO -0.00 0.74 -0.19 0.00 0.23 0.00 0.00 176.91 177.69 1ka9 h ARG 57 N 1.10 -0.52 0.00 0.39 -0.00 -1.06 -2.44 114.38 111.86 1ka9 h ARG 57 Ca 0.29 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.81 1ka9 h ARG 57 Cb -0.08 0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.01 1ka9 h ARG 57 CO -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 179.97 179.58 1ka9 n ALA 58 N -2.74 1.54 0.19 0.04 0.00 -0.13 0.37 120.51 119.78 1ka9 n ALA 58 Ca -0.07 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1ka9 n ALA 58 Cb 0.22 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 1ka9 n ALA 58 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ka9 n PHE 59 N -0.94 0.00 -0.42 0.00 7.35 -0.23 -3.97 117.46 119.25 1ka9 n PHE 59 Ca 0.01 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.77 1ka9 n PHE 59 Cb 0.00 -0.26 0.21 0.00 0.35 0.00 0.00 39.48 39.78 1ka9 n PHE 59 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1ka9 n GLN 60 N -1.86 2.96 -0.11 -4.13 -0.06 0.16 -3.73 117.38 110.60 1ka9 n GLN 60 Ca -0.01 -2.34 -0.17 0.00 -2.00 0.00 0.00 57.00 52.47 1ka9 n GLN 60 Cb 0.37 -1.48 -0.13 0.00 -4.06 0.00 0.00 30.24 24.94 1ka9 n GLN 60 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1ka9 n GLU 61 N 0.40 0.67 -0.03 3.69 -0.58 -0.64 -4.03 120.64 120.12 1ka9 n GLU 61 Ca 0.16 0.14 0.10 0.00 -0.42 0.00 0.00 57.16 57.14 1ka9 n GLU 61 Cb 0.59 -1.55 0.48 0.00 -0.57 0.00 0.00 31.44 30.39 1ka9 n GLU 61 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ka9 n SER 62 N -3.21 0.76 0.00 1.62 3.41 -1.25 -4.88 113.62 110.07 1ka9 n SER 62 Ca -0.42 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1ka9 n SER 62 Cb 1.02 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1ka9 n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ka9 n GLY 63 N 0.95 0.00 0.14 5.00 0.00 -1.26 -4.46 105.19 105.56 1ka9 n GLY 63 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1ka9 n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ka9 n PHE 64 N -1.59 0.40 -0.34 1.61 3.01 -1.25 -2.58 117.46 116.72 1ka9 n PHE 64 Ca 0.00 0.21 0.06 0.00 1.01 0.00 0.00 57.45 58.73 1ka9 n PHE 64 Cb 0.00 -0.65 0.24 0.00 -0.01 0.00 0.00 39.48 39.05 1ka9 n PHE 64 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1ka9 h VAL 65 N 0.00 0.98 -0.27 -4.37 3.04 -1.86 -1.92 116.25 111.86 1ka9 h VAL 65 Ca 0.00 -0.35 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1ka9 h VAL 65 Cb 0.51 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 29.65 1ka9 h VAL 65 CO 0.00 0.19 0.13 -0.33 -1.01 0.00 0.00 177.57 176.54 1ka9 h GLU 66 N 1.02 0.40 -0.18 4.17 3.07 -1.88 0.12 114.58 121.29 1ka9 h GLU 66 Ca 0.46 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 59.28 1ka9 h GLU 66 Cb 0.37 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1ka9 h GLU 66 CO -0.21 0.39 0.03 -0.09 -1.40 0.00 0.00 179.01 177.72 1ka9 h ARG 67 N 0.31 0.10 -0.08 2.33 1.12 -1.64 0.35 114.38 116.86 1ka9 h ARG 67 Ca 0.09 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.94 1ka9 h ARG 67 Cb 0.13 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1ka9 h ARG 67 CO -0.01 0.06 -0.01 0.28 -3.11 0.00 0.00 179.97 177.18 1ka9 h VAL 68 N 0.10 1.28 -0.56 0.20 2.07 -1.26 0.11 116.25 118.19 1ka9 h VAL 68 Ca 0.08 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1ka9 h VAL 68 Cb 0.08 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 1ka9 h VAL 68 CO -0.12 0.25 0.21 -0.09 0.02 0.00 0.00 177.57 177.84 1ka9 h ARG 69 N -0.18 0.38 0.00 1.57 9.65 -0.62 0.83 114.38 126.01 1ka9 h ARG 69 Ca 0.02 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 1ka9 h ARG 69 Cb 0.39 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1ka9 h ARG 69 CO 0.01 0.25 -0.39 -0.09 2.80 0.00 0.00 179.97 182.55 1ka9 h ARG 70 N 0.39 0.00 -0.10 0.20 2.43 -0.85 -1.47 114.38 114.99 1ka9 h ARG 70 Ca 0.28 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.23 1ka9 h ARG 70 Cb 0.32 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1ka9 h ARG 70 CO -0.28 0.39 -0.81 1.25 -1.51 0.00 0.00 179.97 179.01 1ka9 h HIS 71 N 0.00 0.88 -0.05 2.20 2.76 0.50 -2.65 115.15 118.80 1ka9 h HIS 71 Ca -0.00 -0.41 -0.04 0.00 -2.20 0.00 0.00 60.37 57.72 1ka9 h HIS 71 Cb 0.87 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.70 1ka9 h HIS 71 CO 0.00 1.22 -0.14 -0.07 -1.30 0.00 0.00 177.93 177.64 1ka9 h LEU 72 N 0.42 0.20 -1.47 0.26 3.38 -0.80 -2.49 115.31 114.82 1ka9 h LEU 72 Ca -0.06 -0.61 0.10 0.00 0.09 0.00 0.00 57.88 57.40 1ka9 h LEU 72 Cb 1.43 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.08 1ka9 h LEU 72 CO 0.16 0.78 0.47 -0.08 0.09 0.00 0.00 178.44 179.86 1ka9 h GLU 73 N -0.37 0.58 -0.01 1.13 4.57 -1.35 -0.97 114.58 118.17 1ka9 h GLU 73 Ca -0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ka9 h GLU 73 Cb 0.76 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1ka9 h GLU 73 CO 0.03 0.38 0.00 -2.13 -1.18 0.00 0.00 179.01 176.11 1ka9 n ARG 74 N -4.49 1.12 -1.13 1.92 0.63 -1.00 -4.92 116.66 108.80 1ka9 n ARG 74 Ca 0.12 -0.18 -0.04 0.00 -0.92 0.00 0.00 57.85 56.82 1ka9 n ARG 74 Cb 0.34 -1.46 -0.02 0.00 0.45 0.00 0.00 32.46 31.78 1ka9 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ka9 n GLY 75 N 0.99 0.72 3.89 5.14 0.00 -0.37 -5.04 105.19 110.53 1ka9 n GLY 75 Ca 0.21 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1ka9 n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ka9 s LEU 76 N -1.01 3.76 -0.13 0.99 1.43 -0.94 -4.86 118.68 117.91 1ka9 s LEU 76 Ca 0.00 1.02 -0.37 0.00 -1.03 0.00 0.00 54.13 53.75 1ka9 s LEU 76 Cb 0.00 -3.93 -0.14 0.00 0.03 0.00 0.00 46.19 42.15 1ka9 s LEU 76 CO 0.00 -0.46 1.74 -2.65 0.23 0.00 0.00 176.35 175.21 1ka9 n PRO 77 N -1.67 1.62 -4.33 1.29 -0.02 -1.25 -4.69 135.00 125.95 1ka9 n PRO 77 Ca 0.01 0.59 -0.19 0.00 -2.02 0.00 0.00 63.50 61.89 1ka9 n PRO 77 Cb 0.54 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 1ka9 n PRO 77 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1ka9 s PHE 78 N 3.19 0.84 -0.11 6.00 5.36 -0.76 -1.87 117.98 130.62 1ka9 s PHE 78 Ca 0.93 -0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 56.70 1ka9 s PHE 78 Cb -0.88 -0.60 0.03 0.00 -0.34 0.00 0.00 43.02 41.22 1ka9 s PHE 78 CO 0.56 -0.09 -0.06 -1.17 -1.46 0.00 0.00 175.22 173.00 1ka9 s LEU 79 N 0.18 1.15 -0.19 6.12 2.96 -0.28 -1.57 118.68 127.05 1ka9 s LEU 79 Ca -0.03 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1ka9 s LEU 79 Cb -0.08 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 1ka9 s LEU 79 CO 0.00 -0.14 -0.08 -0.83 -1.32 0.00 0.00 176.35 173.98 1ka9 s GLY 80 N 1.74 1.57 -0.15 7.98 0.00 -0.52 -0.59 107.32 117.35 1ka9 s GLY 80 Ca 0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 1ka9 s GLY 80 CO -0.08 0.24 -0.05 -0.42 0.00 0.00 0.00 173.10 172.78 1ka9 s ILE 81 N 1.13 3.75 0.00 0.90 1.01 0.60 -2.80 121.20 125.78 1ka9 s ILE 81 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1ka9 s ILE 81 Cb -0.14 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1ka9 s ILE 81 CO -0.02 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.43 1ka9 h VAL 83 N 0.00 1.33 0.00 0.00 2.07 -1.86 -1.49 116.25 116.30 1ka9 h VAL 83 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1ka9 h VAL 83 Cb 0.00 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1ka9 h VAL 83 CO 0.00 0.52 0.00 1.23 0.02 0.00 0.00 177.57 179.34 1ka9 h GLY 84 N 1.68 0.00 0.47 2.17 0.00 -1.19 -0.60 103.07 105.59 1ka9 h GLY 84 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1ka9 h GLY 84 CO 0.07 0.00 -1.69 1.98 0.00 0.00 0.00 176.54 176.90 1ka9 h MET 85 N 0.00 0.20 -0.19 4.80 -1.53 -1.40 -3.37 114.93 113.44 1ka9 h MET 85 Ca 0.00 -0.35 -0.06 0.00 -3.44 0.00 0.00 59.70 55.85 1ka9 h MET 85 Cb 0.20 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 1ka9 h MET 85 CO 0.00 1.17 -0.13 1.96 0.14 0.00 0.00 176.91 180.05 1ka9 h GLN 86 N -0.26 0.31 0.00 0.39 4.20 -1.00 -2.32 115.11 116.43 1ka9 h GLN 86 Ca -0.38 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1ka9 h GLN 86 Cb 1.81 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.55 1ka9 h GLN 86 CO 0.01 0.44 0.04 0.28 -0.67 0.00 0.00 178.83 178.94 1ka9 h VAL 87 N 0.29 0.00 -0.00 -0.54 2.07 -1.27 0.02 116.25 116.82 1ka9 h VAL 87 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ka9 h VAL 87 Cb 0.41 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ka9 h VAL 87 CO 0.02 0.00 -0.13 0.18 0.02 0.00 0.00 177.57 177.66 1ka9 n LEU 88 N -2.53 0.25 0.00 2.57 4.77 -0.87 -1.23 117.00 119.96 1ka9 n LEU 88 Ca -0.02 0.22 -0.18 0.00 -0.03 0.00 0.00 56.01 56.00 1ka9 n LEU 88 Cb 0.09 -0.32 0.11 0.00 -2.33 0.00 0.00 43.42 40.97 1ka9 n LEU 88 CO 0.13 0.05 0.50 -1.22 -1.33 0.00 0.00 177.39 175.52 1ka9 n TYR 89 N -1.29 -3.67 0.10 -1.77 4.02 -0.01 -0.47 117.16 114.07 1ka9 n TYR 89 Ca 0.10 -0.91 -0.19 0.00 -0.01 0.00 0.00 57.90 56.89 1ka9 n TYR 89 Cb 0.30 -0.60 -0.15 0.00 -0.02 0.00 0.00 39.34 38.88 1ka9 n TYR 89 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ka9 h GLU 90 N 0.00 0.33 0.00 -0.72 5.08 -1.25 -0.24 114.58 117.78 1ka9 h GLU 90 Ca -0.26 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 57.53 1ka9 h GLU 90 Cb 0.79 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1ka9 h GLU 90 CO 0.21 1.24 0.10 0.41 -1.00 0.00 0.00 179.01 179.98 1ka9 n GLY 91 N 1.65 1.59 3.47 -3.84 0.00 -1.22 0.36 105.19 107.19 1ka9 n GLY 91 Ca -0.14 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1ka9 n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ka9 s SER 92 N -1.68 -0.63 0.60 1.61 0.15 -1.26 -0.52 113.70 111.96 1ka9 s SER 92 Ca 0.05 1.17 0.40 0.00 0.70 0.00 0.00 55.95 58.28 1ka9 s SER 92 Cb -0.02 1.15 2.19 0.00 -1.71 0.00 0.00 66.02 67.63 1ka9 s SER 92 CO 0.04 -0.20 2.23 -0.33 1.20 0.00 0.00 173.24 176.17 1ka9 h GLU 93 N 5.68 0.00 0.00 5.44 5.08 -1.42 -1.49 114.58 127.87 1ka9 h GLU 93 Ca -0.29 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 1ka9 h GLU 93 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1ka9 h GLU 93 CO 0.16 0.00 -0.54 1.49 -1.00 0.00 0.00 179.01 179.12 1ka9 h GLU 94 N 0.00 0.00 -2.26 2.33 4.81 -1.95 -3.34 114.58 114.17 1ka9 h GLU 94 Ca 0.00 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 1ka9 h GLU 94 Cb 0.01 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 29.00 1ka9 h GLU 94 CO 0.00 0.54 -1.00 0.00 -0.73 0.00 0.00 179.01 177.83 1ka9 n ALA 95 N -2.40 2.77 -0.15 2.92 0.00 -0.57 -4.82 120.51 118.26 1ka9 n ALA 95 Ca -0.01 -3.32 0.02 0.00 0.00 0.00 0.00 53.44 50.13 1ka9 n ALA 95 Cb 0.58 -0.79 0.04 0.00 0.00 0.00 0.00 19.45 19.28 1ka9 n ALA 95 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ka9 n PRO 96 N 2.23 -0.05 0.00 0.00 -0.02 -1.15 -1.46 135.00 134.55 1ka9 n PRO 96 Ca 0.26 0.62 0.10 0.00 -2.02 0.00 0.00 63.50 62.46 1ka9 n PRO 96 Cb 0.49 -0.92 0.05 0.00 -0.02 0.00 0.00 33.50 33.09 1ka9 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ka9 n GLY 97 N -1.23 0.32 3.69 -1.23 0.00 -1.26 -4.83 105.19 100.65 1ka9 n GLY 97 Ca 0.06 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1ka9 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ka9 s VAL 98 N -1.82 4.07 0.01 1.61 1.01 -0.53 -5.00 120.40 119.73 1ka9 s VAL 98 Ca 0.20 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 1ka9 s VAL 98 Cb 0.16 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1ka9 s VAL 98 CO 0.33 0.01 0.97 -0.60 0.00 0.00 0.00 175.10 175.81 1ka9 s ARG 99 N 2.15 4.56 0.77 2.72 3.52 -1.26 -4.42 118.95 126.99 1ka9 s ARG 99 Ca 0.58 1.41 -0.02 0.00 -0.13 0.00 0.00 55.73 57.57 1ka9 s ARG 99 Cb -0.27 -3.45 0.16 0.00 -1.56 0.00 0.00 34.95 29.82 1ka9 s ARG 99 CO 0.24 -0.03 1.05 0.41 -0.81 0.00 0.00 175.30 176.16 1ka9 n GLY 100 N 2.86 0.45 0.26 8.12 0.00 0.16 -4.97 105.19 112.06 1ka9 n GLY 100 Ca 0.06 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.18 1ka9 n GLY 100 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ka9 h LEU 101 N 0.00 0.00 -0.47 0.99 4.07 -0.97 -3.45 115.31 115.48 1ka9 h LEU 101 Ca -0.35 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.33 1ka9 h LEU 101 Cb 1.25 0.00 0.08 0.00 1.08 0.00 0.00 40.66 43.07 1ka9 h LEU 101 CO 0.36 0.09 -0.47 0.61 -1.08 0.00 0.00 178.44 177.94 1ka9 n GLY 102 N -1.10 -0.13 0.16 0.83 0.00 -0.12 -4.91 105.19 99.92 1ka9 n GLY 102 Ca -0.03 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1ka9 n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ka9 h LEU 103 N -1.67 0.00 -8.30 0.99 -0.00 -1.00 -3.45 115.31 101.88 1ka9 h LEU 103 Ca -0.40 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 56.98 1ka9 h LEU 103 Cb 1.26 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 41.64 1ka9 h LEU 103 CO 0.40 0.16 -0.82 -0.69 -0.00 0.00 0.00 178.44 177.50 1ka9 s VAL 104 N -3.17 1.25 0.29 1.22 1.01 -0.83 -5.05 120.40 115.13 1ka9 s VAL 104 Ca 0.03 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 1ka9 s VAL 104 Cb 0.07 -1.06 -0.10 0.00 0.00 0.00 0.00 36.38 35.29 1ka9 s VAL 104 CO 0.74 0.27 1.19 -2.16 0.00 0.00 0.00 175.10 175.13 1ka9 s PRO 105 N -0.60 4.52 0.00 2.72 0.04 -1.26 -3.57 135.00 136.84 1ka9 s PRO 105 Ca 0.05 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1ka9 s PRO 105 Cb -0.07 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1ka9 s PRO 105 CO 0.00 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1ka9 n GLY 106 N 1.13 2.10 3.06 0.56 0.00 -1.26 -4.87 105.19 105.91 1ka9 n GLY 106 Ca -0.00 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.60 1ka9 n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ka9 s GLU 107 N -1.77 1.41 0.15 1.61 2.12 -1.26 -1.31 118.70 119.64 1ka9 s GLU 107 Ca 0.00 -0.45 -0.31 0.00 0.36 0.00 0.00 54.97 54.57 1ka9 s GLU 107 Cb 0.00 -1.25 -0.09 0.00 0.26 0.00 0.00 34.13 33.05 1ka9 s GLU 107 CO 0.00 0.16 1.48 0.08 -0.54 0.00 0.00 175.26 176.44 1ka9 s VAL 108 N 0.19 2.94 0.27 3.70 1.01 0.32 -4.46 120.40 124.37 1ka9 s VAL 108 Ca -0.05 0.68 0.10 0.00 0.00 0.00 0.00 61.98 62.71 1ka9 s VAL 108 Cb -0.11 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1ka9 s VAL 108 CO 0.02 0.06 -0.02 -0.13 0.00 0.00 0.00 175.10 175.02 1ka9 s ARG 109 N 1.04 2.24 0.16 2.72 1.81 -0.28 -0.99 118.95 125.64 1ka9 s ARG 109 Ca 0.67 -1.46 -0.14 0.00 -1.72 0.00 0.00 55.73 53.08 1ka9 s ARG 109 Cb -0.40 -2.12 -0.07 0.00 -0.45 0.00 0.00 34.95 31.90 1ka9 s ARG 109 CO 0.31 0.35 0.55 0.50 -0.68 0.00 0.00 175.30 176.34 1ka9 s ARG 110 N -3.66 3.96 0.21 3.54 3.52 -1.26 0.04 118.95 125.30 1ka9 s ARG 110 Ca 0.31 0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 56.09 1ka9 s ARG 110 Cb -0.06 -2.89 -0.09 0.00 -1.56 0.00 0.00 34.95 30.35 1ka9 s ARG 110 CO 0.19 0.45 1.22 -0.06 -0.81 0.00 0.00 175.30 176.30 1ka9 s PHE 111 N -1.51 3.37 -0.44 5.12 0.40 -0.80 -4.92 117.98 119.21 1ka9 s PHE 111 Ca 0.39 1.41 0.08 0.00 -0.60 0.00 0.00 56.93 58.22 1ka9 s PHE 111 Cb -0.15 -3.47 0.41 0.00 0.51 0.00 0.00 43.02 40.32 1ka9 s PHE 111 CO 0.19 -1.33 1.01 0.54 0.70 0.00 0.00 175.22 176.33 1ka9 n ARG 112 N 2.22 2.68 -3.63 0.44 1.74 -1.26 -5.03 116.66 113.81 1ka9 n ARG 112 Ca 0.04 -4.21 -0.07 0.00 -0.77 0.00 0.00 57.85 52.84 1ka9 n ARG 112 Cb 0.44 -1.98 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 1ka9 n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ka9 s ALA 113 N -3.34 -2.05 0.13 7.54 0.00 -1.26 -5.15 121.76 117.63 1ka9 s ALA 113 Ca 0.43 1.77 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1ka9 s ALA 113 Cb 0.39 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1ka9 s ALA 113 CO -0.12 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1ka9 n GLY 114 N 1.65 -1.20 3.65 0.00 0.00 -1.26 -4.76 105.19 103.27 1ka9 n GLY 114 Ca -0.10 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1ka9 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ka9 n ARG 115 N -2.69 1.27 -3.83 1.61 1.74 -1.26 -5.03 116.66 108.47 1ka9 n ARG 115 Ca 0.00 0.47 -0.13 0.00 -0.77 0.00 0.00 57.85 57.42 1ka9 n ARG 115 Cb 0.25 -2.24 -0.14 0.00 -1.02 0.00 0.00 32.46 29.31 1ka9 n ARG 115 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ka9 s VAL 116 N -1.38 -0.02 1.12 1.55 1.01 -1.26 -4.29 120.40 117.13 1ka9 s VAL 116 Ca 0.71 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 1ka9 s VAL 116 Cb -0.46 -0.09 0.25 0.00 0.00 0.00 0.00 36.38 36.09 1ka9 s VAL 116 CO 0.51 0.03 1.14 -2.16 0.00 0.00 0.00 175.10 174.62 1ka9 s PRO 117 N 0.36 -0.60 -0.17 2.72 0.04 -1.26 -5.06 135.00 131.04 1ka9 s PRO 117 Ca -0.03 -0.04 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 1ka9 s PRO 117 Cb -0.04 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 1ka9 s PRO 117 CO -0.01 -3.30 1.25 -1.14 0.04 0.00 0.00 177.00 173.84 1ka9 s GLN 118 N -5.42 4.23 -0.14 4.56 0.74 0.13 -4.88 119.66 118.87 1ka9 s GLN 118 Ca 0.70 1.65 -0.01 0.00 0.05 0.00 0.00 55.36 57.75 1ka9 s GLN 118 Cb -0.10 -3.76 0.04 0.00 1.10 0.00 0.00 33.01 30.29 1ka9 s GLN 118 CO 0.56 -0.70 -0.02 -1.64 -0.55 0.00 0.00 175.29 172.94 1ka9 s MET 119 N 3.49 1.00 0.00 1.67 -1.94 -1.26 -1.77 119.30 120.49 1ka9 s MET 119 Ca 0.54 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 1ka9 s MET 119 Cb -0.21 -1.72 0.00 0.00 2.01 0.00 0.00 34.83 34.91 1ka9 s MET 119 CO 0.14 -0.44 0.00 0.41 -0.01 0.00 0.00 175.02 175.12 1ka9 n GLY 120 N 5.00 0.86 3.66 -0.03 0.00 -0.02 -4.97 105.19 109.69 1ka9 n GLY 120 Ca -0.10 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 1ka9 n GLY 120 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ka9 s TRP 121 N -1.88 3.36 -0.02 1.61 0.52 -1.26 -0.48 118.94 120.79 1ka9 s TRP 121 Ca 0.00 0.73 0.06 0.00 0.02 0.00 0.00 56.10 56.91 1ka9 s TRP 121 Cb 0.00 -2.65 -0.01 0.00 -1.15 0.00 0.00 33.47 29.66 1ka9 s TRP 121 CO 0.00 -0.10 -0.19 1.21 0.02 0.00 0.00 176.95 177.89 1ka9 s ASN 122 N 1.17 2.29 -0.02 2.95 3.84 0.19 -4.85 114.94 120.52 1ka9 s ASN 122 Ca 0.23 -0.36 -0.17 0.00 0.21 0.00 0.00 52.86 52.77 1ka9 s ASN 122 Cb -0.15 -0.34 -0.05 0.00 -0.55 0.00 0.00 41.25 40.15 1ka9 s ASN 122 CO 0.09 0.22 0.47 0.00 -2.79 0.00 0.00 177.10 175.10 1ka9 s ALA 123 N -0.35 3.60 0.46 1.71 0.00 -1.26 -0.49 121.76 125.43 1ka9 s ALA 123 Ca 0.05 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 51.91 1ka9 s ALA 123 Cb -0.09 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1ka9 s ALA 123 CO -0.00 0.31 0.01 -0.51 0.00 0.00 0.00 175.76 175.57 1ka9 s LEU 124 N -0.55 2.55 -0.08 0.00 1.43 -1.19 -4.80 118.68 116.05 1ka9 s LEU 124 Ca 0.26 -1.52 0.04 0.00 -1.03 0.00 0.00 54.13 51.87 1ka9 s LEU 124 Cb -0.17 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.25 1ka9 s LEU 124 CO 0.14 -0.67 -0.21 -0.70 0.23 0.00 0.00 176.35 175.14 1ka9 s GLU 125 N -3.80 2.52 0.12 1.70 -6.30 -0.53 -0.54 118.70 111.86 1ka9 s GLU 125 Ca 0.19 -0.75 0.07 0.00 -2.50 0.00 0.00 54.97 51.99 1ka9 s GLU 125 Cb 0.05 -1.99 -0.04 0.00 0.00 0.00 0.00 34.13 32.16 1ka9 s GLU 125 CO 0.10 0.19 -0.18 -0.06 0.02 0.00 0.00 175.26 175.33 1ka9 s PHE 126 N 0.29 1.64 0.28 5.30 0.40 -1.26 -1.00 117.98 123.62 1ka9 s PHE 126 Ca -0.14 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.73 1ka9 s PHE 126 Cb -0.16 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.51 1ka9 s PHE 126 CO 0.06 0.21 0.03 0.41 0.70 0.00 0.00 175.22 176.63 1ka9 n GLY 127 N 0.79 3.71 7.00 4.36 0.00 -0.86 -4.16 105.19 116.03 1ka9 n GLY 127 Ca -0.17 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.56 1ka9 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ka9 n GLY 128 N 1.68 1.71 0.00 -0.02 0.00 -1.26 -2.95 105.19 104.35 1ka9 n GLY 128 Ca -0.10 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.44 1ka9 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ka9 n ALA 129 N 6.96 1.91 0.41 4.61 0.00 -1.26 -2.68 120.51 130.46 1ka9 n ALA 129 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1ka9 n ALA 129 Cb 0.00 -1.30 0.17 0.00 0.00 0.00 0.00 19.45 18.33 1ka9 n ALA 129 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ka9 n PHE 130 N -1.39 0.36 -0.25 0.00 3.01 -1.15 -4.54 117.46 113.49 1ka9 n PHE 130 Ca 0.07 -0.20 0.29 0.00 1.01 0.00 0.00 57.45 58.62 1ka9 n PHE 130 Cb 0.18 -0.00 0.69 0.00 -0.01 0.00 0.00 39.48 40.34 1ka9 n PHE 130 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ka9 h ALA 131 N 4.17 2.81 0.00 4.37 0.00 -1.51 0.33 119.26 129.43 1ka9 h ALA 131 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ka9 h ALA 131 Cb 0.93 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ka9 h ALA 131 CO 0.00 -1.12 -0.00 -1.35 0.00 0.00 0.00 179.25 176.78 1ka9 h PRO 132 N 0.09 0.00 -0.01 0.00 0.11 -1.86 -2.33 132.00 128.00 1ka9 h PRO 132 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1ka9 h PRO 132 Cb 1.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.95 1ka9 h PRO 132 CO -0.06 0.00 -0.05 1.28 -0.21 0.00 0.00 178.00 178.96 1ka9 n LEU 133 N -3.10 0.58 -4.72 2.35 4.77 0.11 -4.90 117.00 112.08 1ka9 n LEU 133 Ca -0.02 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 1ka9 n LEU 133 Cb 0.17 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1ka9 n LEU 133 CO 0.23 0.10 1.32 0.41 -1.33 0.00 0.00 177.39 178.12 1ka9 n THR 134 N -0.69 0.34 0.00 -5.08 -1.04 -0.88 -1.98 114.28 104.95 1ka9 n THR 134 Ca 0.18 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1ka9 n THR 134 Cb 0.25 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 1ka9 n THR 134 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ka9 n GLY 135 N 3.34 2.55 3.79 3.41 0.00 0.30 -5.00 105.19 113.57 1ka9 n GLY 135 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1ka9 n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ka9 s ARG 136 N -0.69 4.49 0.29 1.61 1.81 -0.84 -4.73 118.95 120.89 1ka9 s ARG 136 Ca 0.00 1.16 -0.23 0.00 -1.72 0.00 0.00 55.73 54.93 1ka9 s ARG 136 Cb 0.00 -2.93 -0.09 0.00 -0.45 0.00 0.00 34.95 31.47 1ka9 s ARG 136 CO 0.00 0.38 0.86 -1.01 -0.68 0.00 0.00 175.30 174.85 1ka9 s HIS 137 N -1.48 3.65 0.09 -0.53 3.76 -1.26 -3.15 115.29 116.37 1ka9 s HIS 137 Ca 0.45 1.62 0.04 0.00 -0.15 0.00 0.00 55.06 57.03 1ka9 s HIS 137 Cb -0.19 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 1ka9 s HIS 137 CO 0.24 0.23 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.18 1ka9 s PHE 138 N -1.63 1.15 -0.12 1.40 0.40 0.35 -4.81 117.98 114.72 1ka9 s PHE 138 Ca 0.48 -0.55 -0.19 0.00 -0.60 0.00 0.00 56.93 56.07 1ka9 s PHE 138 Cb -0.17 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 1ka9 s PHE 138 CO 0.22 0.04 0.52 -0.47 0.70 0.00 0.00 175.22 176.23 1ka9 s TYR 139 N -1.88 3.50 0.13 0.36 5.04 -1.26 -0.63 117.35 122.60 1ka9 s TYR 139 Ca 0.02 0.93 0.11 0.00 -2.44 0.00 0.00 57.07 55.68 1ka9 s TYR 139 Cb -0.06 -2.61 -0.04 0.00 0.35 0.00 0.00 41.96 39.60 1ka9 s TYR 139 CO 0.01 0.12 -0.26 -0.06 -1.34 0.00 0.00 175.55 174.02 1ka9 s PHE 140 N 0.80 2.26 -0.45 4.97 0.40 0.36 -2.36 117.98 123.96 1ka9 s PHE 140 Ca 0.27 -0.38 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 1ka9 s PHE 140 Cb -0.15 -1.23 0.27 0.00 0.51 0.00 0.00 43.02 42.42 1ka9 s PHE 140 CO 0.11 0.33 0.87 0.00 0.70 0.00 0.00 175.22 177.23 1ka9 n ALA 141 N 0.92 -0.24 -2.84 5.36 0.00 -1.17 -0.84 120.51 121.71 1ka9 n ALA 141 Ca -0.18 -1.97 -0.14 0.00 0.00 0.00 0.00 53.44 51.15 1ka9 n ALA 141 Cb 0.53 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.70 1ka9 n ALA 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ka9 s ASN 142 N -1.57 0.83 -0.10 0.00 4.22 -0.73 -4.94 114.94 112.65 1ka9 s ASN 142 Ca 0.31 -0.46 0.16 0.00 -2.14 0.00 0.00 52.86 50.73 1ka9 s ASN 142 Cb 0.25 0.01 -0.23 0.00 1.28 0.00 0.00 41.25 42.56 1ka9 s ASN 142 CO -0.16 -0.14 0.19 -1.20 -2.04 0.00 0.00 177.10 173.75 1ka9 n SER 143 N 1.76 1.00 -4.63 3.54 7.64 -1.26 0.19 113.62 121.85 1ka9 n SER 143 Ca -0.21 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.40 1ka9 n SER 143 Cb 0.55 1.28 -0.08 0.00 -1.01 0.00 0.00 64.21 64.95 1ka9 n SER 143 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ka9 s TYR 144 N -2.74 2.81 0.04 1.43 1.51 -1.26 -1.90 117.35 117.24 1ka9 s TYR 144 Ca -0.07 -0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1ka9 s TYR 144 Cb 0.08 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1ka9 s TYR 144 CO 0.69 0.49 -0.02 1.52 -1.11 0.00 0.00 175.55 177.12 1ka9 s TYR 145 N -1.55 0.39 -0.03 2.71 -0.85 0.11 -4.95 117.35 113.18 1ka9 s TYR 145 Ca 0.25 -0.81 -0.18 0.00 -0.52 0.00 0.00 57.07 55.81 1ka9 s TYR 145 Cb -0.10 -0.29 -0.05 0.00 0.38 0.00 0.00 41.96 41.90 1ka9 s TYR 145 CO 0.17 -0.30 0.50 0.20 -1.52 0.00 0.00 175.55 174.59 1ka9 s GLY 146 N -2.28 2.51 0.76 5.49 0.00 -1.26 -1.13 107.32 111.42 1ka9 s GLY 146 Ca -0.03 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.47 1ka9 s GLY 146 CO -0.06 0.53 1.08 2.56 0.00 0.00 0.00 173.10 177.21 1ka9 s PRO 147 N -0.35 2.37 0.54 2.90 0.04 -1.26 -1.83 135.00 137.41 1ka9 s PRO 147 Ca 0.27 0.81 -0.22 0.00 0.04 0.00 0.00 61.00 61.90 1ka9 s PRO 147 Cb -0.17 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1ka9 s PRO 147 CO 0.14 -1.46 1.36 -0.51 0.04 0.00 0.00 177.00 176.57 1ka9 s LEU 148 N -5.73 3.86 0.31 -3.56 1.43 -1.26 -4.59 118.68 109.13 1ka9 s LEU 148 Ca 0.60 2.77 0.01 0.00 -1.03 0.00 0.00 54.13 56.47 1ka9 s LEU 148 Cb -0.15 -4.27 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 1ka9 s LEU 148 CO 0.55 -1.56 0.34 0.42 0.23 0.00 0.00 176.35 176.33 1ka9 s THR 149 N -1.30 0.00 -2.00 5.49 -4.23 -1.26 -5.02 115.64 107.32 1ka9 s THR 149 Ca 0.71 -1.81 0.23 0.00 -1.18 0.00 0.00 61.69 59.64 1ka9 s THR 149 Cb -0.40 -2.53 0.65 0.00 1.34 0.00 0.00 72.50 71.55 1ka9 s THR 149 CO 0.48 0.00 1.84 -0.81 -0.54 0.00 0.00 174.62 175.59 1ka9 n PRO 150 N -0.53 0.94 -0.14 3.99 -0.04 -1.26 -2.64 135.00 135.32 1ka9 n PRO 150 Ca 0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1ka9 n PRO 150 Cb 0.63 -1.38 0.11 0.00 -0.04 0.00 0.00 33.50 32.82 1ka9 n PRO 150 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ka9 n TYR 151 N -0.88 0.32 -2.28 0.54 4.02 -1.26 -4.86 117.16 112.75 1ka9 n TYR 151 Ca 0.17 -0.62 -0.43 0.00 -0.01 0.00 0.00 57.90 57.02 1ka9 n TYR 151 Cb 0.08 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 1ka9 n TYR 151 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1ka9 n SER 152 N -0.23 4.65 0.23 7.72 7.64 -1.08 -0.61 113.62 131.94 1ka9 n SER 152 Ca 0.10 -2.95 0.07 0.00 1.01 0.00 0.00 58.87 57.09 1ka9 n SER 152 Cb 0.46 -1.62 0.57 0.00 -1.01 0.00 0.00 64.21 62.61 1ka9 n SER 152 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ka9 h LEU 153 N 10.00 0.03 -8.68 -3.43 5.85 -1.66 -3.40 115.31 114.01 1ka9 h LEU 153 Ca 0.46 -0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.51 1ka9 h LEU 153 Cb 0.73 -0.01 -0.26 0.00 0.37 0.00 0.00 40.66 41.49 1ka9 h LEU 153 CO 1.62 0.10 -0.76 -0.83 -0.34 0.00 0.00 178.44 178.23 1ka9 s GLY 154 N -4.10 1.55 0.08 3.75 0.00 -0.62 -2.04 107.32 105.95 1ka9 s GLY 154 Ca -0.05 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.80 1ka9 s GLY 154 CO 0.69 -0.28 -0.07 0.54 0.00 0.00 0.00 173.10 173.97 1ka9 s LYS 155 N 0.17 0.75 0.09 2.90 1.02 -0.17 -0.66 119.74 123.83 1ka9 s LYS 155 Ca -0.07 -1.14 -0.04 0.00 0.02 0.00 0.00 55.97 54.73 1ka9 s LYS 155 Cb -0.15 -0.28 0.02 0.00 -0.52 0.00 0.00 37.83 36.90 1ka9 s LYS 155 CO 0.05 0.02 0.22 0.41 -0.92 0.00 0.00 175.35 175.12 1ka9 n GLY 156 N 0.48 1.60 3.24 -3.33 0.00 -1.04 -1.45 105.19 104.68 1ka9 n GLY 156 Ca -0.16 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 1ka9 n GLY 156 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ka9 s GLU 157 N -2.02 0.63 -0.19 1.61 4.04 -1.26 -1.18 118.70 120.33 1ka9 s GLU 157 Ca 0.04 -0.10 -0.03 0.00 0.04 0.00 0.00 54.97 54.93 1ka9 s GLU 157 Cb -0.01 0.28 0.06 0.00 0.02 0.00 0.00 34.13 34.48 1ka9 s GLU 157 CO 0.03 -0.16 0.04 -0.47 -1.84 0.00 0.00 175.26 172.85 1ka9 s TYR 158 N -1.11 0.92 -1.46 4.83 5.04 -0.55 -4.82 117.35 120.19 1ka9 s TYR 158 Ca -0.12 -0.77 -0.08 0.00 -2.44 0.00 0.00 57.07 53.66 1ka9 s TYR 158 Cb -0.05 -0.98 0.03 0.00 0.35 0.00 0.00 41.96 41.32 1ka9 s TYR 158 CO 0.04 -0.59 0.80 0.39 -1.34 0.00 0.00 175.55 174.85 1ka9 n GLU 159 N 5.08 -5.52 -0.27 4.97 -0.58 -1.26 -1.80 120.64 121.27 1ka9 n GLU 159 Ca -0.09 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1ka9 n GLU 159 Cb 0.47 -5.65 0.00 0.00 -0.57 0.00 0.00 31.44 25.70 1ka9 n GLU 159 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ka9 n GLY 160 N -1.62 0.93 3.45 0.62 0.00 -1.26 -4.84 105.19 102.47 1ka9 n GLY 160 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1ka9 n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ka9 s THR 161 N -2.70 5.03 0.41 2.61 2.01 -0.74 -5.06 115.64 117.20 1ka9 s THR 161 Ca 0.00 -0.58 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 1ka9 s THR 161 Cb 0.00 -3.73 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 1ka9 s THR 161 CO 0.00 -0.18 1.26 -2.84 -0.69 0.00 0.00 174.62 172.17 1ka9 s PRO 162 N 1.65 3.96 0.13 4.92 0.02 -1.26 -1.49 135.00 142.93 1ka9 s PRO 162 Ca 0.04 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.02 1ka9 s PRO 162 Cb -0.18 -2.71 0.01 0.00 0.02 0.00 0.00 34.50 31.63 1ka9 s PRO 162 CO 0.09 -0.47 0.28 -0.59 -0.33 0.00 0.00 177.00 175.98 1ka9 s PHE 163 N -1.31 0.14 -0.24 6.54 -0.12 -0.32 -4.77 117.98 117.89 1ka9 s PHE 163 Ca 0.58 -0.52 -0.24 0.00 -0.05 0.00 0.00 56.93 56.70 1ka9 s PHE 163 Cb -0.36 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1ka9 s PHE 163 CO 0.46 -0.66 0.79 0.99 -0.05 0.00 0.00 175.22 176.75 1ka9 s THR 164 N -3.88 4.86 -0.12 -4.49 2.01 -0.76 -2.51 115.64 110.74 1ka9 s THR 164 Ca 0.09 1.50 0.07 0.00 0.31 0.00 0.00 61.69 63.65 1ka9 s THR 164 Cb 0.03 -4.09 -0.24 0.00 0.01 0.00 0.00 72.50 68.22 1ka9 s THR 164 CO -0.07 -0.05 0.34 0.00 -0.69 0.00 0.00 174.62 174.15 1ka9 n ALA 165 N 5.92 1.31 -3.71 7.40 0.00 0.17 -4.63 120.51 126.96 1ka9 n ALA 165 Ca 0.04 -0.87 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 1ka9 n ALA 165 Cb 0.48 -0.58 -0.16 0.00 0.00 0.00 0.00 19.45 19.19 1ka9 n ALA 165 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ka9 s LEU 166 N -6.32 0.41 -0.11 0.00 2.96 -0.79 0.17 118.68 115.01 1ka9 s LEU 166 Ca -0.15 0.21 -0.13 0.00 -0.22 0.00 0.00 54.13 53.83 1ka9 s LEU 166 Cb 0.07 0.13 -0.05 0.00 0.50 0.00 0.00 46.19 46.85 1ka9 s LEU 166 CO 0.78 -0.20 0.31 -0.22 -1.32 0.00 0.00 176.35 175.70 1ka9 s LEU 167 N 1.73 4.32 -0.05 -0.68 2.96 -0.34 -1.59 118.68 125.04 1ka9 s LEU 167 Ca -0.02 0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1ka9 s LEU 167 Cb -0.12 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.21 1ka9 s LEU 167 CO -0.05 0.20 0.08 0.00 -1.32 0.00 0.00 176.35 175.26 1ka9 s ALA 168 N -0.12 0.13 -0.46 5.97 0.00 0.22 -1.30 121.76 126.20 1ka9 s ALA 168 Ca 0.19 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.49 1ka9 s ALA 168 Cb -0.14 -0.63 0.18 0.00 0.00 0.00 0.00 23.12 22.53 1ka9 s ALA 168 CO 0.07 -0.47 0.60 0.21 0.00 0.00 0.00 175.76 176.17 1ka9 s LYS 169 N 2.10 0.94 -0.20 0.00 2.20 -0.59 -4.70 119.74 119.48 1ka9 s LYS 169 Ca 0.03 -1.02 -0.00 0.00 -0.36 0.00 0.00 55.97 54.63 1ka9 s LYS 169 Cb -0.12 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 1ka9 s LYS 169 CO -0.04 -1.29 0.00 0.39 -0.36 0.00 0.00 175.35 174.06 1ka9 n GLU 170 N 3.43 -2.46 -1.58 4.03 4.71 -1.26 -3.52 120.64 123.99 1ka9 n GLU 170 Ca 0.17 2.14 -0.20 0.00 -0.01 0.00 0.00 57.16 59.26 1ka9 n GLU 170 Cb 0.54 -3.93 -0.09 0.00 -1.01 0.00 0.00 31.44 26.95 1ka9 n GLU 170 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ka9 n ASN 171 N 0.92 -5.51 -3.89 1.62 4.13 -1.26 -4.93 115.26 106.33 1ka9 n ASN 171 Ca -0.00 0.50 -0.27 0.00 1.68 0.00 0.00 54.58 56.48 1ka9 n ASN 171 Cb 0.17 -4.78 -0.17 0.00 -1.54 0.00 0.00 39.78 33.47 1ka9 n ASN 171 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ka9 s LEU 172 N -4.57 1.32 -0.03 3.41 0.20 -1.23 -1.82 118.68 115.96 1ka9 s LEU 172 Ca 0.00 -0.43 0.06 0.00 0.69 0.00 0.00 54.13 54.45 1ka9 s LEU 172 Cb 0.00 -0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 44.89 1ka9 s LEU 172 CO 0.00 -0.15 -0.22 -0.76 -0.29 0.00 0.00 176.35 174.94 1ka9 s LEU 173 N 1.69 2.03 -0.32 -0.68 1.43 -0.61 -1.55 118.68 120.68 1ka9 s LEU 173 Ca 0.03 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1ka9 s LEU 173 Cb -0.14 -1.14 0.16 0.00 0.03 0.00 0.00 46.19 45.10 1ka9 s LEU 173 CO -0.08 0.25 0.43 0.00 0.23 0.00 0.00 176.35 177.18 1ka9 s ALA 174 N -0.41 -1.18 0.22 4.21 0.00 -0.42 -1.45 121.76 122.73 1ka9 s ALA 174 Ca 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 1ka9 s ALA 174 Cb -0.09 -2.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.79 1ka9 s ALA 174 CO 0.00 -1.88 0.81 -1.25 0.00 0.00 0.00 175.76 173.44 1ka9 s PRO 175 N 2.26 4.51 0.19 0.00 0.04 -1.12 -1.20 135.00 139.68 1ka9 s PRO 175 Ca 0.12 1.14 0.12 0.00 0.04 0.00 0.00 61.00 62.42 1ka9 s PRO 175 Cb -0.12 -3.08 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 1ka9 s PRO 175 CO -0.23 0.47 1.29 0.37 0.04 0.00 0.00 177.00 178.94 1ka9 h GLN 176 N 3.85 0.00 -7.15 4.56 5.75 -0.54 -2.61 115.11 118.97 1ka9 h GLN 176 Ca -0.47 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 57.54 1ka9 h GLN 176 Cb 1.20 0.00 0.05 0.00 1.07 0.00 0.00 27.48 29.80 1ka9 h GLN 176 CO 0.66 0.65 0.23 -0.59 -2.65 0.00 0.00 178.83 177.13 1ka9 s PHE 177 N -2.85 3.44 -0.46 3.99 -0.12 -1.26 -4.32 117.98 116.40 1ka9 s PHE 177 Ca 0.02 0.88 -0.20 0.00 -0.05 0.00 0.00 56.93 57.58 1ka9 s PHE 177 Cb 0.08 -2.63 0.03 0.00 -0.63 0.00 0.00 43.02 39.87 1ka9 s PHE 177 CO 0.78 -0.67 0.63 -1.01 -0.05 0.00 0.00 175.22 174.90 1ka9 s HIS 178 N -2.99 3.06 0.19 3.49 3.76 -1.00 -4.49 115.29 117.30 1ka9 s HIS 178 Ca 0.53 -0.20 0.35 0.00 -0.15 0.00 0.00 55.06 55.59 1ka9 s HIS 178 Cb -0.11 -3.37 1.56 0.00 1.11 0.00 0.00 32.58 31.78 1ka9 s HIS 178 CO 0.48 -0.91 2.05 -1.00 -0.85 0.00 0.00 174.74 174.50 1ka9 h PRO 179 N 8.91 0.00 -0.01 8.40 0.13 -1.89 -2.30 132.00 145.23 1ka9 h PRO 179 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1ka9 h PRO 179 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ka9 h PRO 179 CO 0.91 0.00 -0.09 -0.85 -0.23 0.00 0.00 178.00 177.74 1ka9 n GLU 180 N -3.04 1.14 -0.00 0.86 0.00 -1.26 -3.47 120.64 114.87 1ka9 n GLU 180 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 57.16 56.61 1ka9 n GLU 180 Cb 0.25 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.21 1ka9 n GLU 180 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ka9 n LYS 181 N -0.45 2.47 -0.79 3.44 5.02 -0.90 -4.75 118.16 122.21 1ka9 n LYS 181 Ca 0.17 -1.34 -0.02 0.00 -2.02 0.00 0.00 58.31 55.10 1ka9 n LYS 181 Cb 0.30 -0.92 0.26 0.00 -0.02 0.00 0.00 35.03 34.65 1ka9 n LYS 181 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ka9 n SER 182 N -0.42 3.86 0.00 4.39 7.64 -0.98 -4.56 113.62 123.54 1ka9 n SER 182 Ca 0.00 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1ka9 n SER 182 Cb 0.30 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1ka9 n SER 182 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ka9 n GLY 183 N -0.58 1.82 0.37 0.23 0.00 -1.26 -1.66 105.19 104.11 1ka9 n GLY 183 Ca 0.33 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1ka9 n GLY 183 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ka9 h LYS 184 N 0.00 1.20 -0.89 1.61 1.79 -1.98 -1.51 116.57 116.79 1ka9 h LYS 184 Ca 0.00 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1ka9 h LYS 184 Cb 0.00 -0.27 -0.06 0.00 -1.58 0.00 0.00 32.23 30.33 1ka9 h LYS 184 CO 0.00 0.80 0.58 0.00 -1.08 0.00 0.00 179.45 179.75 1ka9 h ALA 185 N 1.43 1.50 -0.49 3.86 0.00 -1.83 0.86 119.26 124.58 1ka9 h ALA 185 Ca 0.33 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1ka9 h ALA 185 Cb -0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1ka9 h ALA 185 CO -0.07 0.39 -0.17 0.78 0.00 0.00 0.00 179.25 180.18 1ka9 h GLY 186 N 1.04 1.04 1.65 0.00 0.00 -0.35 -1.87 103.07 104.58 1ka9 h GLY 186 Ca 0.37 -0.87 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1ka9 h GLY 186 CO -0.13 0.80 -0.49 1.41 0.00 0.00 0.00 176.54 178.12 1ka9 h LEU 187 N 0.84 0.41 -0.41 3.11 3.38 -0.86 -2.20 115.31 119.59 1ka9 h LEU 187 Ca 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ka9 h LEU 187 Cb 0.73 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ka9 h LEU 187 CO 0.06 0.84 0.21 0.00 0.09 0.00 0.00 178.44 179.63 1ka9 h ALA 188 N 1.17 0.53 -0.29 1.53 0.00 -0.59 -0.61 119.26 121.00 1ka9 h ALA 188 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ka9 h ALA 188 Cb 0.98 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ka9 h ALA 188 CO 0.08 0.07 0.16 0.35 0.00 0.00 0.00 179.25 179.92 1ka9 h PHE 189 N 0.52 0.31 -0.22 0.00 3.57 -1.16 -1.45 116.94 118.51 1ka9 h PHE 189 Ca 0.14 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1ka9 h PHE 189 Cb 0.09 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1ka9 h PHE 189 CO -0.02 0.18 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.10 1ka9 h LEU 190 N 0.34 0.32 -0.15 0.59 3.38 -1.11 0.34 115.31 119.01 1ka9 h LEU 190 Ca 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1ka9 h LEU 190 Cb 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ka9 h LEU 190 CO -0.06 0.44 -0.11 0.00 0.09 0.00 0.00 178.44 178.80 1ka9 h ALA 191 N 1.61 0.22 -0.21 1.53 0.00 -0.66 -1.59 119.26 120.16 1ka9 h ALA 191 Ca 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ka9 h ALA 191 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ka9 h ALA 191 CO 0.02 0.06 -0.06 -0.07 0.00 0.00 0.00 179.25 179.20 1ka9 h LEU 192 N -0.00 0.29 -0.75 0.00 3.38 -0.95 -2.23 115.31 115.05 1ka9 h LEU 192 Ca 0.03 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1ka9 h LEU 192 Cb 0.60 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1ka9 h LEU 192 CO 0.03 0.39 -0.11 0.00 0.09 0.00 0.00 178.44 178.84 1ka9 h ALA 193 N 1.65 0.94 -0.75 1.53 0.00 -0.72 0.41 119.26 122.33 1ka9 h ALA 193 Ca 0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1ka9 h ALA 193 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ka9 h ALA 193 CO 0.01 0.62 0.35 -0.09 0.00 0.00 0.00 179.25 180.14 1ka9 h ARG 194 N 0.75 1.07 -0.15 0.00 2.43 -0.70 -0.80 114.38 116.99 1ka9 h ARG 194 Ca 0.12 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1ka9 h ARG 194 Cb 0.61 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ka9 h ARG 194 CO 0.04 0.83 -0.24 -0.09 -1.51 0.00 0.00 179.97 179.00 1ka9 h ARG 195 N 1.06 0.43 -0.27 0.20 2.43 -1.12 -3.24 114.38 113.87 1ka9 h ARG 195 Ca 0.26 -0.26 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1ka9 h ARG 195 Cb 0.12 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 1ka9 h ARG 195 CO -0.03 0.85 -0.28 -0.92 -1.51 0.00 0.00 179.97 178.08 1ka9 h TYR 196 N 0.06 -0.77 0.00 2.20 3.20 -0.42 -3.52 116.97 117.72 1ka9 h TYR 196 Ca 0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1ka9 h TYR 196 Cb 0.81 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1ka9 h TYR 196 CO 0.09 -0.36 0.00 1.19 -1.64 0.00 0.00 178.16 177.45