#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka9 s GLU 2 N 0.00 1.72 0.34 0.03 2.12 0.14 -4.78 118.70 118.27 2ka9 s GLU 2 Ca 0.00 -1.94 0.02 0.00 0.36 0.00 0.00 54.97 53.41 2ka9 s GLU 2 Cb 0.00 -1.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.16 2ka9 s GLU 2 CO 0.00 -0.07 0.38 1.52 -0.54 0.00 0.00 175.26 176.55 2ka9 s TYR 3 N -3.01 1.38 -0.27 5.30 1.13 -1.26 0.71 117.35 121.33 2ka9 s TYR 3 Ca 0.34 -1.47 -0.26 0.00 -1.41 0.00 0.00 57.07 54.27 2ka9 s TYR 3 Cb 0.07 -0.38 0.16 0.00 -1.10 0.00 0.00 41.96 40.72 2ka9 s TYR 3 CO 0.15 -1.01 1.24 -2.00 -2.51 0.00 0.00 175.55 171.43 2ka9 s GLU 4 N -3.24 0.27 -0.33 -3.49 2.12 -0.60 -4.92 118.70 108.51 2ka9 s GLU 4 Ca 0.35 0.24 -0.07 0.00 0.36 0.00 0.00 54.97 55.85 2ka9 s GLU 4 Cb 0.01 0.13 0.03 0.00 0.26 0.00 0.00 34.13 34.56 2ka9 s GLU 4 CO 0.23 -0.05 0.10 -1.83 -0.54 0.00 0.00 175.26 173.18 2ka9 s GLU 5 N -0.22 2.78 0.00 4.30 -1.05 -1.26 -0.51 118.70 122.74 2ka9 s GLU 5 Ca 0.05 -1.07 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 2ka9 s GLU 5 Cb -0.04 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.20 2ka9 s GLU 5 CO -0.09 -0.60 0.00 0.44 0.95 0.00 0.00 175.26 175.96 2ka9 n ILE 6 N 4.84 0.00 -3.80 1.83 -0.00 0.38 -4.94 119.36 117.68 2ka9 n ILE 6 Ca -0.13 0.00 -0.14 0.00 -0.00 0.00 0.00 62.75 62.48 2ka9 n ILE 6 Cb 0.46 0.00 -0.15 0.00 -0.00 0.00 0.00 39.64 39.95 2ka9 n ILE 6 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2ka9 s THR 7 N -0.91 -0.04 -0.65 7.28 -4.23 -1.26 -0.63 115.64 115.21 2ka9 s THR 7 Ca 0.00 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 2ka9 s THR 7 Cb 0.00 -0.10 0.17 0.00 1.34 0.00 0.00 72.50 73.91 2ka9 s THR 7 CO 0.00 0.06 0.46 -0.22 -0.54 0.00 0.00 174.62 174.38 2ka9 s LEU 8 N 0.74 5.16 -0.31 4.79 2.96 0.99 -4.80 118.68 128.20 2ka9 s LEU 8 Ca -0.06 -3.01 -0.27 0.00 -0.22 0.00 0.00 54.13 50.57 2ka9 s LEU 8 Cb -0.08 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.78 2ka9 s LEU 8 CO -0.02 -0.32 0.96 -1.83 -1.32 0.00 0.00 176.35 173.82 2ka9 s GLU 9 N -0.29 4.03 -0.99 1.98 -1.05 -1.22 -2.33 118.70 118.83 2ka9 s GLU 9 Ca 0.18 0.89 -0.21 0.00 -0.15 0.00 0.00 54.97 55.69 2ka9 s GLU 9 Cb -0.19 -3.73 -0.27 0.00 -0.44 0.00 0.00 34.13 29.50 2ka9 s GLU 9 CO -0.04 -0.81 2.44 0.54 0.95 0.00 0.00 175.26 178.34 2ka9 n ARG 10 N 6.60 0.03 -0.08 -4.83 1.74 0.34 -4.67 116.66 115.78 2ka9 n ARG 10 Ca 0.09 -0.01 0.26 0.00 -0.77 0.00 0.00 57.85 57.41 2ka9 n ARG 10 Cb 0.47 -1.34 0.69 0.00 -1.02 0.00 0.00 32.46 31.27 2ka9 n ARG 10 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2ka9 h GLY 11 N 11.83 0.00 0.00 -0.13 0.00 -1.88 -3.44 103.07 109.45 2ka9 h GLY 11 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2ka9 h GLY 11 CO 1.49 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.73 2ka9 n ASN 12 N -3.76 0.00 -1.53 0.19 3.02 -1.26 -4.99 115.26 106.93 2ka9 n ASN 12 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.59 2ka9 n ASN 12 Cb 0.97 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 40.32 2ka9 n ASN 12 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2ka9 n SER 13 N -0.33 3.05 0.00 6.41 2.88 -1.26 -5.04 113.62 119.33 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.79 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ka9 n GLY 14 N -1.12 0.82 0.11 0.46 0.00 -1.26 -4.98 105.19 99.22 2ka9 n GLY 14 Ca 0.42 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 2ka9 n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 15 N 0.00 0.29 -1.57 0.99 4.07 -1.93 -3.20 115.31 113.96 2ka9 h LEU 15 Ca 0.00 -0.85 0.00 0.00 0.08 0.00 0.00 57.88 57.11 2ka9 h LEU 15 Cb 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.65 2ka9 h LEU 15 CO 0.00 1.45 0.00 0.61 -1.08 0.00 0.00 178.44 179.42 2ka9 n GLY 16 N 1.66 0.62 3.58 0.83 0.00 -1.26 -0.08 105.19 110.55 2ka9 n GLY 16 Ca -0.21 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2ka9 n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 17 N -2.52 -0.53 0.41 1.61 -0.12 -1.26 -2.95 117.98 112.61 2ka9 s PHE 17 Ca 0.00 1.07 0.03 0.00 -0.05 0.00 0.00 56.93 57.98 2ka9 s PHE 17 Cb 0.00 0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 42.78 2ka9 s PHE 17 CO 0.00 -0.40 0.60 -1.12 -0.05 0.00 0.00 175.22 174.25 2ka9 s SER 18 N -0.63 5.84 0.12 1.98 0.01 0.85 -5.01 113.70 116.86 2ka9 s SER 18 Ca -0.03 0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 2ka9 s SER 18 Cb -0.02 -1.35 0.03 0.00 0.21 0.00 0.00 66.02 64.90 2ka9 s SER 18 CO 0.02 -0.63 0.38 0.27 0.41 0.00 0.00 173.24 173.69 2ka9 s ILE 19 N -2.42 0.08 -0.07 1.44 -4.36 -1.26 -2.89 121.20 111.71 2ka9 s ILE 19 Ca 0.48 -0.63 -0.30 0.00 -0.26 0.00 0.00 60.65 59.95 2ka9 s ILE 19 Cb -0.10 -1.17 0.11 0.00 1.25 0.00 0.00 42.46 42.55 2ka9 s ILE 19 CO 0.35 -0.35 0.91 0.00 0.24 0.00 0.00 174.94 176.10 2ka9 s ALA 20 N -3.72 -1.86 0.00 2.27 0.00 -1.05 -4.81 121.76 112.58 2ka9 s ALA 20 Ca 0.03 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2ka9 s ALA 20 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2ka9 s ALA 20 CO -0.11 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2ka9 n GLY 21 N 0.26 0.22 0.00 0.00 0.00 -1.26 -3.30 105.19 101.11 2ka9 n GLY 21 Ca -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2ka9 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 22 N 0.00 3.14 0.34 -0.02 0.00 -1.22 -4.26 105.19 103.17 2ka9 n GLY 22 Ca 0.00 -1.63 0.21 0.00 0.00 0.00 0.00 46.02 44.60 2ka9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h THR 23 N 0.00 0.00 0.06 2.61 1.03 -0.52 -2.11 112.91 113.98 2ka9 h THR 23 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 66.41 66.03 2ka9 h THR 23 Cb 0.00 0.90 -0.04 0.00 -1.07 0.00 0.00 68.15 67.93 2ka9 h THR 23 CO 0.00 0.00 -2.12 -0.67 -0.01 0.00 0.00 175.52 172.72 2ka9 n ASP 24 N -3.02 2.03 -3.70 0.00 2.03 -1.26 -4.71 116.55 107.92 2ka9 n ASP 24 Ca -0.03 0.13 -0.27 0.00 0.52 0.00 0.00 54.79 55.14 2ka9 n ASP 24 Cb 0.17 -0.72 -0.11 0.00 -0.72 0.00 0.00 41.12 39.74 2ka9 n ASP 24 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2ka9 n ASN 25 N -3.59 2.56 -4.59 1.67 0.23 -0.85 -5.09 115.26 105.59 2ka9 n ASN 25 Ca -0.39 -3.12 -0.53 0.00 -0.53 0.00 0.00 54.58 50.01 2ka9 n ASN 25 Cb 0.97 -0.71 -0.06 0.00 -2.08 0.00 0.00 39.78 37.90 2ka9 n ASN 25 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 2ka9 n PRO 26 N 1.83 1.05 0.00 -0.53 -0.02 -0.88 -3.41 135.00 133.04 2ka9 n PRO 26 Ca 0.23 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2ka9 n PRO 26 Cb 0.39 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2ka9 n PRO 26 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2ka9 n HIS 27 N 2.60 0.00 -0.30 6.00 -0.00 -1.26 -3.20 115.22 119.05 2ka9 n HIS 27 Ca 0.19 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.39 2ka9 n HIS 27 Cb 0.18 -0.37 0.16 0.00 -0.12 0.00 0.00 29.99 29.84 2ka9 n HIS 27 CO 0.00 0.00 0.00 -0.84 0.46 0.00 0.00 176.34 175.96 2ka9 h ILE 28 N 0.00 0.96 0.00 3.57 3.07 -1.91 -3.46 117.51 119.74 2ka9 h ILE 28 Ca 0.00 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.11 2ka9 h ILE 28 Cb 0.00 0.01 0.00 0.00 -0.27 0.00 0.00 36.82 36.56 2ka9 h ILE 28 CO 0.00 0.16 0.00 0.61 -1.05 0.00 0.00 178.15 177.87 2ka9 n GLY 29 N -1.32 1.79 0.84 0.16 0.00 -1.20 -4.99 105.19 100.47 2ka9 n GLY 29 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 2ka9 n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ka9 n ASP 30 N 0.00 -0.68 -3.15 1.61 2.03 -1.26 -5.03 116.55 110.06 2ka9 n ASP 30 Ca 0.00 -1.37 0.04 0.00 0.52 0.00 0.00 54.79 53.98 2ka9 n ASP 30 Cb 0.00 0.20 -0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2ka9 n ASP 30 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2ka9 s ASP 31 N -0.68 -1.52 0.58 1.67 1.01 -1.26 -5.02 116.67 111.45 2ka9 s ASP 31 Ca 0.00 0.42 0.28 0.00 0.71 0.00 0.00 52.55 53.96 2ka9 s ASP 31 Cb 0.00 2.06 1.60 0.00 1.01 0.00 0.00 42.92 47.59 2ka9 s ASP 31 CO 0.00 -0.28 2.06 1.55 0.21 0.00 0.00 175.17 178.71 2ka9 h PRO 32 N 7.99 0.00 -7.05 8.23 0.13 -1.88 -3.40 132.00 136.02 2ka9 h PRO 32 Ca -0.09 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.52 2ka9 h PRO 32 Cb 1.18 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.40 2ka9 h PRO 32 CO 0.18 0.00 0.50 0.45 -0.23 0.00 0.00 178.00 178.90 2ka9 s SER 33 N -5.74 5.65 0.20 1.44 0.15 -1.26 -1.80 113.70 112.34 2ka9 s SER 33 Ca -0.05 2.40 -0.05 0.00 0.70 0.00 0.00 55.95 58.95 2ka9 s SER 33 Cb 0.16 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.81 2ka9 s SER 33 CO 0.56 -1.28 0.44 -0.63 1.20 0.00 0.00 173.24 173.54 2ka9 s ILE 34 N -1.54 5.10 0.05 6.45 1.09 -1.26 -4.51 121.20 126.59 2ka9 s ILE 34 Ca 0.70 0.04 -0.04 0.00 -1.10 0.00 0.00 60.65 60.26 2ka9 s ILE 34 Cb -0.31 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.41 2ka9 s ILE 34 CO 0.36 -0.09 0.05 -0.36 -0.10 0.00 0.00 174.94 174.79 2ka9 s PHE 35 N -1.81 0.35 0.44 3.97 0.40 -1.21 -3.66 117.98 116.46 2ka9 s PHE 35 Ca 0.42 -0.79 -0.22 0.00 -0.60 0.00 0.00 56.93 55.74 2ka9 s PHE 35 Cb -0.11 -0.25 -0.09 0.00 0.51 0.00 0.00 43.02 43.07 2ka9 s PHE 35 CO 0.26 -0.40 1.00 0.42 0.70 0.00 0.00 175.22 177.21 2ka9 s ILE 36 N -3.42 4.00 -0.16 0.64 1.01 0.37 -2.54 121.20 121.10 2ka9 s ILE 36 Ca 0.02 1.34 0.14 0.00 0.00 0.00 0.00 60.65 62.15 2ka9 s ILE 36 Cb 0.04 -3.59 -0.20 0.00 0.01 0.00 0.00 42.46 38.72 2ka9 s ILE 36 CO -0.08 -0.18 0.05 0.41 0.00 0.00 0.00 174.94 175.14 2ka9 n THR 37 N -0.54 1.09 -3.62 2.92 -1.04 -1.14 -2.44 114.28 109.51 2ka9 n THR 37 Ca 0.07 -0.67 -0.06 0.00 -2.04 0.00 0.00 64.05 61.34 2ka9 n THR 37 Cb 0.52 -0.58 -0.05 0.00 -1.82 0.00 0.00 70.33 68.40 2ka9 n THR 37 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2ka9 s LYS 38 N -2.38 0.31 -0.02 -2.82 0.00 -1.26 -4.87 119.74 108.69 2ka9 s LYS 38 Ca -0.08 0.16 0.06 0.00 0.00 0.00 0.00 55.97 56.11 2ka9 s LYS 38 Cb 0.05 0.15 -0.03 0.00 0.00 0.00 0.00 37.83 38.00 2ka9 s LYS 38 CO 0.65 -0.08 -0.19 0.42 0.00 0.00 0.00 175.35 176.15 2ka9 s ILE 39 N -0.69 2.68 0.06 3.79 1.01 -1.26 -0.11 121.20 126.68 2ka9 s ILE 39 Ca 0.04 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 2ka9 s ILE 39 Cb -0.02 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 40.35 2ka9 s ILE 39 CO -0.06 0.53 0.55 0.27 0.00 0.00 0.00 174.94 176.24 2ka9 s ILE 40 N -0.73 4.78 -1.32 2.92 -4.36 -1.15 -4.98 121.20 116.36 2ka9 s ILE 40 Ca 0.12 1.18 -0.12 0.00 -0.26 0.00 0.00 60.65 61.57 2ka9 s ILE 40 Cb -0.10 -3.88 -0.05 0.00 1.25 0.00 0.00 42.46 39.67 2ka9 s ILE 40 CO 0.01 0.54 2.44 -0.81 0.24 0.00 0.00 174.94 177.36 2ka9 n PRO 41 N 1.84 2.83 0.00 0.37 -0.04 -1.26 -3.47 135.00 135.26 2ka9 n PRO 41 Ca -0.10 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 2ka9 n PRO 41 Cb 0.51 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 2ka9 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka9 n GLY 42 N 3.90 0.14 3.48 0.55 0.00 -1.26 -5.14 105.19 106.86 2ka9 n GLY 42 Ca 0.60 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 2ka9 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ka9 s GLY 43 N -1.13 1.52 0.46 -0.02 0.00 -1.23 -4.93 107.32 101.99 2ka9 s GLY 43 Ca 0.00 -0.83 0.26 0.00 0.00 0.00 0.00 44.72 44.15 2ka9 s GLY 43 CO 0.00 0.08 1.74 0.00 0.00 0.00 0.00 173.10 174.92 2ka9 h ALA 44 N -2.88 0.97 0.13 3.20 0.00 -0.65 -3.31 119.26 116.71 2ka9 h ALA 44 Ca -0.46 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.40 2ka9 h ALA 44 Cb 1.31 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2ka9 h ALA 44 CO 0.34 0.09 -0.41 0.00 0.00 0.00 0.00 179.25 179.28 2ka9 h ALA 45 N 1.92 -0.72 0.00 0.00 0.00 -1.43 0.49 119.26 119.52 2ka9 h ALA 45 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ka9 h ALA 45 Cb 0.86 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2ka9 h ALA 45 CO 0.01 -0.97 -0.07 0.00 0.00 0.00 0.00 179.25 178.21 2ka9 h ALA 46 N -0.15 1.71 -0.25 0.00 0.00 -1.81 0.48 119.26 119.24 2ka9 h ALA 46 Ca 0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2ka9 h ALA 46 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2ka9 h ALA 46 CO -0.23 0.09 -0.60 0.37 0.00 0.00 0.00 179.25 178.89 2ka9 h GLN 47 N 0.00 0.84 0.00 0.00 4.15 -1.26 -2.97 115.11 115.87 2ka9 h GLN 47 Ca -0.00 -0.57 -0.00 0.00 0.77 0.00 0.00 58.65 58.84 2ka9 h GLN 47 Cb 0.14 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 2ka9 h GLN 47 CO 0.01 1.20 -0.08 -0.44 -1.93 0.00 0.00 178.83 177.59 2ka9 h ASP 48 N 0.61 0.00 -4.28 -0.69 3.32 0.84 -3.49 116.42 112.73 2ka9 h ASP 48 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ka9 h ASP 48 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2ka9 h ASP 48 CO 0.13 0.02 -0.40 0.61 -1.72 0.00 0.00 179.24 177.89 2ka9 n GLY 49 N 1.11 -2.07 0.84 2.75 0.00 0.16 -4.91 105.19 103.07 2ka9 n GLY 49 Ca 0.04 0.48 0.05 0.00 0.00 0.00 0.00 46.02 46.59 2ka9 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka9 n ARG 50 N -0.08 2.21 0.00 1.61 3.00 -1.22 -5.03 116.66 117.15 2ka9 n ARG 50 Ca 0.04 -1.35 0.00 0.00 -0.01 0.00 0.00 57.85 56.54 2ka9 n ARG 50 Cb 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.13 2ka9 n ARG 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2ka9 n LEU 51 N 0.44 0.00 -4.65 0.55 4.32 -1.26 -4.78 117.00 111.61 2ka9 n LEU 51 Ca 0.12 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.72 2ka9 n LEU 51 Cb 0.45 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.29 2ka9 n LEU 51 CO 0.11 -0.68 0.69 -1.14 -1.22 0.00 0.00 177.39 175.15 2ka9 n ARG 52 N -0.57 1.29 -0.21 3.23 3.00 -1.26 -4.91 116.66 117.22 2ka9 n ARG 52 Ca 0.00 0.48 -0.07 0.00 -0.00 0.00 0.00 57.85 58.25 2ka9 n ARG 52 Cb 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 32.46 30.23 2ka9 n ARG 52 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2ka9 h VAL 53 N 1.10 1.23 0.00 5.15 -1.51 -1.87 -2.56 116.25 117.78 2ka9 h VAL 53 Ca -0.48 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.28 2ka9 h VAL 53 Cb 1.34 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 2ka9 h VAL 53 CO 0.54 0.28 0.23 0.59 -1.23 0.00 0.00 177.57 177.98 2ka9 n ASN 54 N -4.46 0.13 -4.74 4.19 3.02 -1.02 0.14 115.26 112.52 2ka9 n ASN 54 Ca 0.04 0.41 -0.35 0.00 -0.03 0.00 0.00 54.58 54.64 2ka9 n ASN 54 Cb 0.16 -0.39 0.07 0.00 -0.61 0.00 0.00 39.78 39.02 2ka9 n ASN 54 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2ka9 s ASP 55 N -2.93 4.59 -0.18 6.41 -4.77 -0.97 -4.65 116.67 114.18 2ka9 s ASP 55 Ca -0.01 2.37 0.00 0.00 -3.30 0.00 0.00 52.55 51.62 2ka9 s ASP 55 Cb 0.01 -2.59 0.02 0.00 -1.09 0.00 0.00 42.92 39.27 2ka9 s ASP 55 CO 0.05 -1.99 -0.18 -0.94 0.70 0.00 0.00 175.17 172.80 2ka9 s SER 56 N -1.88 3.27 -0.65 2.11 1.04 -0.41 -2.69 113.70 114.49 2ka9 s SER 56 Ca 0.76 -0.62 -0.26 0.00 0.48 0.00 0.00 55.95 56.31 2ka9 s SER 56 Cb -0.30 -1.51 -0.10 0.00 0.10 0.00 0.00 66.02 64.21 2ka9 s SER 56 CO 0.41 0.00 2.38 0.27 0.98 0.00 0.00 173.24 177.28 2ka9 s ILE 57 N 1.29 3.03 0.55 -1.02 -4.36 -1.24 -0.03 121.20 119.43 2ka9 s ILE 57 Ca 0.05 -0.01 0.26 0.00 -0.26 0.00 0.00 60.65 60.69 2ka9 s ILE 57 Cb -0.13 -3.08 0.33 0.00 1.25 0.00 0.00 42.46 40.82 2ka9 s ILE 57 CO -0.11 -0.08 2.21 0.17 0.24 0.00 0.00 174.94 177.36 2ka9 h LEU 58 N 20.89 0.00 -7.00 0.37 8.10 -0.89 -3.36 115.31 133.42 2ka9 h LEU 58 Ca -0.11 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.90 2ka9 h LEU 58 Cb 1.13 0.00 -0.24 0.00 -0.44 0.00 0.00 40.66 41.11 2ka9 h LEU 58 CO 1.09 0.02 0.33 -0.36 -4.11 0.00 0.00 178.44 175.41 2ka9 s PHE 59 N -4.66 -0.60 -0.15 0.17 0.08 0.25 -3.61 117.98 109.45 2ka9 s PHE 59 Ca -0.05 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.46 2ka9 s PHE 59 Cb 0.15 0.33 0.03 0.00 -0.57 0.00 0.00 43.02 42.96 2ka9 s PHE 59 CO 0.58 -0.29 -0.12 0.14 -0.10 0.00 0.00 175.22 175.43 2ka9 s VAL 60 N 0.27 1.51 0.00 -0.44 -7.23 -1.04 0.11 120.40 113.59 2ka9 s VAL 60 Ca 0.02 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 2ka9 s VAL 60 Cb -0.05 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.42 2ka9 s VAL 60 CO -0.03 0.39 0.00 -3.20 -0.31 0.00 0.00 175.10 171.94 2ka9 n ASN 61 N 4.78 0.00 -1.10 4.85 2.85 0.38 -0.77 115.26 126.26 2ka9 n ASN 61 Ca -0.16 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.25 2ka9 n ASN 61 Cb 0.49 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.46 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2ka9 n GLU 62 N 0.00 0.09 -5.19 1.20 2.13 -1.26 -4.95 120.64 112.66 2ka9 n GLU 62 Ca 0.00 -0.99 -0.30 0.00 0.66 0.00 0.00 57.16 56.53 2ka9 n GLU 62 Cb 0.00 0.49 -0.16 0.00 0.27 0.00 0.00 31.44 32.05 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ka9 s VAL 63 N 0.01 1.98 -0.53 6.31 1.01 0.05 -5.09 120.40 124.14 2ka9 s VAL 63 Ca 0.01 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 2ka9 s VAL 63 Cb 0.03 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.78 2ka9 s VAL 63 CO -0.01 0.52 1.18 1.51 0.00 0.00 0.00 175.10 178.31 2ka9 s ASP 64 N -0.69 6.52 -0.28 3.32 -4.77 -1.26 -2.49 116.67 117.02 2ka9 s ASP 64 Ca 0.10 0.30 0.12 0.00 -3.30 0.00 0.00 52.55 49.76 2ka9 s ASP 64 Cb -0.10 -2.55 0.47 0.00 -1.09 0.00 0.00 42.92 39.65 2ka9 s ASP 64 CO -0.00 -1.39 1.17 0.52 0.70 0.00 0.00 175.17 176.17 2ka9 n VAL 65 N 6.78 2.16 1.18 2.11 0.31 -1.24 -4.69 118.33 124.93 2ka9 n VAL 65 Ca 0.10 -3.82 0.12 0.00 -0.01 0.00 0.00 64.34 60.74 2ka9 n VAL 65 Cb 0.49 -0.44 0.24 0.00 -0.91 0.00 0.00 33.84 33.22 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2ka9 n ARG 66 N -0.68 1.61 -2.62 5.55 1.85 -1.24 -4.44 116.66 116.69 2ka9 n ARG 66 Ca 0.33 -1.19 -0.04 0.00 -1.00 0.00 0.00 57.85 55.96 2ka9 n ARG 66 Cb 0.92 -1.48 -0.00 0.00 -1.05 0.00 0.00 32.46 30.85 2ka9 n ARG 66 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2ka9 n GLU 67 N 0.34 0.26 -4.85 2.89 1.02 -1.26 -4.07 120.64 114.96 2ka9 n GLU 67 Ca 0.14 -0.76 -0.32 0.00 -0.02 0.00 0.00 57.16 56.21 2ka9 n GLU 67 Cb 0.46 -0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.74 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ka9 s VAL 68 N 0.04 2.78 0.98 2.62 -7.23 -1.26 -4.57 120.40 113.77 2ka9 s VAL 68 Ca 0.05 -0.99 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 2ka9 s VAL 68 Cb 0.08 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2ka9 s VAL 68 CO -0.02 0.47 0.07 0.35 -0.31 0.00 0.00 175.10 175.66 2ka9 n THR 69 N 1.98 0.00 -0.03 5.32 -2.24 -1.26 -1.70 114.28 116.34 2ka9 n THR 69 Ca -0.16 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 2ka9 n THR 69 Cb 0.52 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2ka9 h HIS 70 N -1.50 0.14 -0.93 4.78 2.76 -1.85 0.17 115.15 118.71 2ka9 h HIS 70 Ca -0.45 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 57.77 2ka9 h HIS 70 Cb 1.30 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 30.17 2ka9 h HIS 70 CO 0.32 0.08 0.61 1.03 -1.30 0.00 0.00 177.93 178.66 2ka9 h SER 71 N 0.17 1.02 0.36 3.26 0.87 -1.93 0.36 113.55 117.66 2ka9 h SER 71 Ca 0.07 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 2ka9 h SER 71 Cb 0.03 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2ka9 h SER 71 CO -0.06 0.70 -0.55 0.00 -0.53 0.00 0.00 176.83 176.39 2ka9 h ALA 72 N 1.38 0.93 -0.25 6.23 0.00 -1.79 -1.22 119.26 124.55 2ka9 h ALA 72 Ca 0.37 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 2ka9 h ALA 72 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2ka9 h ALA 72 CO -0.12 0.70 -0.58 0.00 0.00 0.00 0.00 179.25 179.25 2ka9 h ALA 73 N 1.26 0.40 -0.37 0.00 0.00 0.32 -1.46 119.26 119.41 2ka9 h ALA 73 Ca -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2ka9 h ALA 73 Cb 1.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2ka9 h ALA 73 CO 0.08 0.64 -0.04 0.28 0.00 0.00 0.00 179.25 180.21 2ka9 h VAL 74 N 0.59 1.22 -0.14 0.00 2.07 -0.18 -1.57 116.25 118.24 2ka9 h VAL 74 Ca -0.00 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 2ka9 h VAL 74 Cb 1.19 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2ka9 h VAL 74 CO 0.13 0.32 -0.43 -0.08 0.02 0.00 0.00 177.57 177.52 2ka9 h GLU 75 N 0.57 0.34 -0.26 1.57 4.57 -1.04 0.26 114.58 120.58 2ka9 h GLU 75 Ca 0.11 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 2ka9 h GLU 75 Cb 0.42 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2ka9 h GLU 75 CO 0.02 0.71 -0.22 0.00 -1.18 0.00 0.00 179.01 178.34 2ka9 h ALA 76 N 1.27 0.38 0.00 2.92 0.00 -0.63 -1.11 119.26 122.10 2ka9 h ALA 76 Ca 0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2ka9 h ALA 76 Cb 0.88 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2ka9 h ALA 76 CO 0.07 0.34 -0.47 1.37 0.00 0.00 0.00 179.25 180.56 2ka9 h LEU 77 N 0.34 0.00 -0.44 0.00 8.10 -1.23 -1.11 115.31 120.97 2ka9 h LEU 77 Ca 0.05 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.93 2ka9 h LEU 77 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.98 2ka9 h LEU 77 CO 0.06 0.47 -0.14 0.50 -4.11 0.00 0.00 178.44 175.22 2ka9 h LYS 78 N 0.00 0.88 -0.72 0.17 3.64 -0.26 -2.87 116.57 117.41 2ka9 h LYS 78 Ca -0.00 -0.36 -0.33 0.00 -1.27 0.00 0.00 60.65 58.69 2ka9 h LYS 78 Cb 1.10 -0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.68 2ka9 h LYS 78 CO 0.06 1.00 0.33 0.39 -2.27 0.00 0.00 179.45 178.96 2ka9 n GLU 79 N -4.23 2.45 0.06 1.90 -0.58 -0.44 -4.39 120.64 115.42 2ka9 n GLU 79 Ca -0.01 -3.07 0.02 0.00 -0.42 0.00 0.00 57.16 53.68 2ka9 n GLU 79 Cb 0.40 -2.06 -0.05 0.00 -0.57 0.00 0.00 31.44 29.16 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ka9 h ALA 80 N 1.37 0.64 0.00 0.62 0.00 -0.96 -3.49 119.26 117.44 2ka9 h ALA 80 Ca 0.41 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ka9 h ALA 80 Cb 2.33 0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.30 2ka9 h ALA 80 CO 0.77 0.73 0.00 0.41 0.00 0.00 0.00 179.25 181.16 2ka9 n GLY 81 N 1.33 -1.84 0.12 0.00 0.00 -1.26 -4.50 105.19 99.05 2ka9 n GLY 81 Ca -0.06 -2.02 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 2ka9 n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ka9 n SER 82 N 0.00 1.40 -4.07 1.61 7.64 -1.26 -4.68 113.62 114.26 2ka9 n SER 82 Ca 0.00 0.01 -0.35 0.00 1.01 0.00 0.00 58.87 59.54 2ka9 n SER 82 Cb 0.00 -0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 83 N -2.53 3.84 -0.35 0.44 1.01 -1.25 0.13 121.20 122.50 2ka9 s ILE 83 Ca -0.24 -3.51 -0.20 0.00 0.00 0.00 0.00 60.65 56.70 2ka9 s ILE 83 Cb 0.08 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2ka9 s ILE 83 CO 0.71 -0.98 0.64 0.68 0.00 0.00 0.00 174.94 175.99 2ka9 s VAL 84 N -0.77 4.89 -0.60 2.92 -7.23 -0.99 -4.79 120.40 113.83 2ka9 s VAL 84 Ca 0.22 0.65 -0.21 0.00 -1.81 0.00 0.00 61.98 60.83 2ka9 s VAL 84 Cb -0.13 -4.07 0.08 0.00 0.56 0.00 0.00 36.38 32.82 2ka9 s VAL 84 CO -0.08 -0.29 0.82 -0.60 -0.31 0.00 0.00 175.10 174.64 2ka9 s ARG 85 N 2.70 3.10 0.19 4.82 3.00 -1.26 -0.01 118.95 131.50 2ka9 s ARG 85 Ca 0.25 -0.98 0.10 0.00 -1.00 0.00 0.00 55.73 54.10 2ka9 s ARG 85 Cb -0.14 -4.21 -0.04 0.00 0.00 0.00 0.00 34.95 30.55 2ka9 s ARG 85 CO 0.14 -1.61 -0.17 -0.48 0.00 0.00 0.00 175.30 173.19 2ka9 s LEU 86 N 3.34 2.70 -0.28 -0.88 2.34 0.20 -0.47 118.68 125.63 2ka9 s LEU 86 Ca 0.18 -0.73 -0.05 0.00 0.06 0.00 0.00 54.13 53.59 2ka9 s LEU 86 Cb -0.20 -1.41 0.01 0.00 -0.56 0.00 0.00 46.19 44.04 2ka9 s LEU 86 CO 0.10 0.11 0.03 -0.47 -1.06 0.00 0.00 176.35 175.06 2ka9 s TYR 87 N -1.68 3.12 0.25 3.48 6.14 0.31 -0.47 117.35 128.50 2ka9 s TYR 87 Ca 0.23 -1.16 0.06 0.00 0.64 0.00 0.00 57.07 56.84 2ka9 s TYR 87 Cb -0.08 -2.19 -0.03 0.00 0.42 0.00 0.00 41.96 40.07 2ka9 s TYR 87 CO 0.12 -0.62 0.24 0.14 0.64 0.00 0.00 175.55 176.07 2ka9 s VAL 88 N 1.44 4.65 -0.26 3.14 -7.23 0.34 -0.33 120.40 122.15 2ka9 s VAL 88 Ca 0.02 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 2ka9 s VAL 88 Cb -0.17 -3.52 0.06 0.00 0.56 0.00 0.00 36.38 33.32 2ka9 s VAL 88 CO 0.00 -0.34 -0.10 -0.04 -0.31 0.00 0.00 175.10 174.31 2ka9 s MET 89 N -3.86 2.14 0.03 4.82 -1.94 0.96 -1.55 119.30 119.90 2ka9 s MET 89 Ca 0.33 -1.33 0.05 0.00 -1.71 0.00 0.00 55.69 53.04 2ka9 s MET 89 Cb -0.08 -2.86 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 2ka9 s MET 89 CO 0.26 -0.59 -0.16 -0.98 -0.01 0.00 0.00 175.02 173.54 2ka9 s ARG 90 N 1.13 1.09 0.31 2.03 3.03 0.22 -1.28 118.95 125.48 2ka9 s ARG 90 Ca -0.08 -0.78 -0.29 0.00 2.03 0.00 0.00 55.73 56.61 2ka9 s ARG 90 Cb -0.20 -1.12 -0.10 0.00 -1.03 0.00 0.00 34.95 32.50 2ka9 s ARG 90 CO -0.05 0.28 1.26 1.03 -1.13 0.00 0.00 175.30 176.69 2ka9 s ARG 91 N -1.05 4.42 -0.51 3.89 1.81 -1.26 0.28 118.95 126.53 2ka9 s ARG 91 Ca 0.04 2.11 -0.33 0.00 -1.72 0.00 0.00 55.73 55.83 2ka9 s ARG 91 Cb -0.08 -3.11 -0.13 0.00 -0.45 0.00 0.00 34.95 31.19 2ka9 s ARG 91 CO 0.01 -0.10 2.34 1.63 -0.68 0.00 0.00 175.30 178.50 2ka9 n LYS 92 N 1.00 0.82 -0.90 3.54 5.02 -1.26 -4.72 118.16 121.66 2ka9 n LYS 92 Ca 0.00 0.16 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 2ka9 n LYS 92 Cb 0.42 -2.45 0.26 0.00 -0.02 0.00 0.00 35.03 33.25 2ka9 n LYS 92 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2ka9 s PRO 93 N 7.19 -1.99 0.00 1.97 0.04 -1.26 -4.97 135.00 135.98 2ka9 s PRO 93 Ca 1.13 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2ka9 s PRO 93 Cb -0.81 -1.51 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2ka9 s PRO 93 CO 0.45 -4.20 0.00 -2.30 0.04 0.00 0.00 177.00 170.99 2ka9 n PRO 94 N -5.09 1.92 -3.60 0.56 -0.02 -1.26 -4.58 135.00 122.93 2ka9 n PRO 94 Ca 0.15 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.41 2ka9 n PRO 94 Cb 0.60 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.15 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ka9 n ALA 95 N -3.00 -1.65 0.00 3.55 0.00 -1.26 -4.33 120.51 113.82 2ka9 n ALA 95 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2ka9 n ALA 95 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 19.45 15.63 2ka9 n ALA 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ka9 n GLU 96 N -4.56 0.00 -3.41 0.00 0.28 -1.24 -3.79 120.64 107.92 2ka9 n GLU 96 Ca -0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.65 2ka9 n GLU 96 Cb 0.61 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.47 2ka9 n GLU 96 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2ka9 s LYS 97 N 0.00 3.26 -0.04 3.44 2.20 0.25 -3.40 119.74 125.45 2ka9 s LYS 97 Ca 0.00 -0.64 0.05 0.00 -0.36 0.00 0.00 55.97 55.03 2ka9 s LYS 97 Cb 0.00 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 2ka9 s LYS 97 CO 0.00 0.06 -0.21 0.08 -0.36 0.00 0.00 175.35 174.93 2ka9 s VAL 98 N -2.28 1.68 0.32 4.02 1.01 -1.26 -1.72 120.40 122.17 2ka9 s VAL 98 Ca 0.42 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.60 2ka9 s VAL 98 Cb -0.10 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 2ka9 s VAL 98 CO 0.34 0.48 -0.03 -0.32 0.00 0.00 0.00 175.10 175.56 2ka9 s MET 99 N -0.14 1.67 -0.23 2.72 1.75 0.94 -4.94 119.30 121.06 2ka9 s MET 99 Ca -0.01 -1.88 -0.03 0.00 -1.25 0.00 0.00 55.69 52.52 2ka9 s MET 99 Cb -0.11 -1.24 0.07 0.00 2.84 0.00 0.00 34.83 36.39 2ka9 s MET 99 CO 0.02 -0.01 0.06 -2.00 -0.65 0.00 0.00 175.02 172.45 2ka9 s GLU 100 N -3.74 0.57 0.19 4.11 2.12 -1.26 -1.64 118.70 119.05 2ka9 s GLU 100 Ca 0.32 -0.57 0.09 0.00 0.36 0.00 0.00 54.97 55.17 2ka9 s GLU 100 Cb 0.06 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.46 2ka9 s GLU 100 CO 0.14 -0.77 -0.09 0.42 -0.54 0.00 0.00 175.26 174.42 2ka9 s ILE 101 N 1.85 3.18 -0.21 -3.70 -1.09 0.17 -4.96 121.20 116.45 2ka9 s ILE 101 Ca 0.03 -1.72 -0.05 0.00 -2.23 0.00 0.00 60.65 56.68 2ka9 s ILE 101 Cb -0.17 -2.59 -0.02 0.00 -1.58 0.00 0.00 42.46 38.10 2ka9 s ILE 101 CO -0.16 -0.15 -0.00 -0.75 -1.23 0.00 0.00 174.94 172.65 2ka9 s LYS 102 N -2.94 3.58 -0.15 2.79 2.20 -1.26 0.13 119.74 124.09 2ka9 s LYS 102 Ca 0.26 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2ka9 s LYS 102 Cb -0.08 -3.08 0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2ka9 s LYS 102 CO 0.16 -0.03 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.84 2ka9 s LEU 103 N 1.10 1.66 0.05 5.43 0.20 0.13 -2.65 118.68 124.60 2ka9 s LEU 103 Ca 0.02 -0.53 -0.09 0.00 0.69 0.00 0.00 54.13 54.23 2ka9 s LEU 103 Cb -0.14 -1.08 -0.05 0.00 -0.43 0.00 0.00 46.19 44.48 2ka9 s LEU 103 CO 0.01 -0.10 0.35 0.27 -0.29 0.00 0.00 176.35 176.59 2ka9 s ILE 104 N 1.54 5.17 0.51 6.68 -4.36 -1.26 -1.87 121.20 127.61 2ka9 s ILE 104 Ca 0.03 0.36 -0.14 0.00 -0.26 0.00 0.00 60.65 60.64 2ka9 s ILE 104 Cb -0.14 -3.62 -0.07 0.00 1.25 0.00 0.00 42.46 39.89 2ka9 s ILE 104 CO -0.09 0.33 0.94 -0.75 0.24 0.00 0.00 174.94 175.61 2ka9 s LYS 105 N -1.81 3.83 0.36 0.37 2.20 0.14 -4.32 119.74 120.50 2ka9 s LYS 105 Ca 0.30 0.78 0.05 0.00 -0.36 0.00 0.00 55.97 56.74 2ka9 s LYS 105 Cb -0.14 -2.19 -0.03 0.00 -1.51 0.00 0.00 37.83 33.96 2ka9 s LYS 105 CO 0.17 -0.27 0.20 0.20 -0.36 0.00 0.00 175.35 175.29 2ka9 s GLY 106 N -3.34 2.40 0.36 5.54 0.00 0.30 -4.89 107.32 107.69 2ka9 s GLY 106 Ca 0.56 -1.69 0.10 0.00 0.00 0.00 0.00 44.72 43.69 2ka9 s GLY 106 CO 0.36 -1.62 1.82 -0.56 0.00 0.00 0.00 173.10 173.09 2ka9 h PRO 107 N 2.02 0.13 -0.64 2.90 0.13 -2.00 -2.02 132.00 132.51 2ka9 h PRO 107 Ca -0.30 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2ka9 h PRO 107 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ka9 h PRO 107 CO 0.46 0.44 0.00 1.63 -0.23 0.00 0.00 178.00 180.30 2ka9 n LYS 108 N -4.13 4.28 0.00 0.86 5.02 -1.26 -5.03 118.16 117.89 2ka9 n LYS 108 Ca -0.01 -2.67 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 2ka9 n LYS 108 Cb 0.39 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ka9 n GLY 109 N 0.56 -0.74 0.05 0.72 0.00 -0.76 -4.48 105.19 100.54 2ka9 n GLY 109 Ca 0.24 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 44.36 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ka9 n LEU 110 N 0.00 0.60 -0.91 0.99 4.32 -1.26 0.11 117.00 120.84 2ka9 n LEU 110 Ca 0.00 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 2ka9 n LEU 110 Cb 0.00 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 2ka9 n LEU 110 CO 0.00 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.75 2ka9 n GLY 111 N 1.39 0.47 3.63 -0.72 0.00 -1.26 -2.59 105.19 106.11 2ka9 n GLY 111 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 2ka9 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 112 N -2.88 -0.05 -0.23 1.61 -0.71 -1.26 -3.77 117.98 110.69 2ka9 s PHE 112 Ca 0.00 0.07 -0.01 0.00 -1.04 0.00 0.00 56.93 55.95 2ka9 s PHE 112 Cb 0.00 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 42.33 2ka9 s PHE 112 CO 0.00 -0.06 -0.11 0.45 -1.34 0.00 0.00 175.22 174.16 2ka9 s SER 113 N -1.47 3.96 0.14 1.98 0.15 0.52 -4.96 113.70 114.02 2ka9 s SER 113 Ca 0.09 -0.81 0.06 0.00 0.70 0.00 0.00 55.95 55.99 2ka9 s SER 113 Cb -0.01 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 2ka9 s SER 113 CO -0.05 -0.08 -0.13 0.27 1.20 0.00 0.00 173.24 174.44 2ka9 s ILE 114 N 1.31 1.36 -0.22 6.45 -4.36 -1.26 0.41 121.20 124.88 2ka9 s ILE 114 Ca 0.01 -1.91 -0.10 0.00 -0.26 0.00 0.00 60.65 58.39 2ka9 s ILE 114 Cb -0.16 -1.72 0.08 0.00 1.25 0.00 0.00 42.46 41.91 2ka9 s ILE 114 CO -0.07 -0.55 0.50 0.00 0.24 0.00 0.00 174.94 175.06 2ka9 s ALA 115 N -2.65 -1.37 0.20 2.27 0.00 -0.50 -4.97 121.76 114.75 2ka9 s ALA 115 Ca 0.14 1.80 -0.05 0.00 0.00 0.00 0.00 51.96 53.85 2ka9 s ALA 115 Cb -0.02 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.87 2ka9 s ALA 115 CO 0.03 -0.52 0.35 0.41 0.00 0.00 0.00 175.76 176.03 2ka9 n GLY 116 N 4.76 2.00 6.77 0.00 0.00 -0.97 -2.65 105.19 115.10 2ka9 n GLY 116 Ca -0.17 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2ka9 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 117 N -0.30 -1.85 3.85 -0.02 0.00 0.90 -4.03 105.19 103.74 2ka9 n GLY 117 Ca -0.02 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 2ka9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka9 s VAL 118 N 0.00 4.76 0.00 1.61 1.01 -1.26 -2.06 120.40 124.46 2ka9 s VAL 118 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2ka9 s VAL 118 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2ka9 s VAL 118 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2ka9 n GLY 119 N 0.07 2.39 2.65 4.51 0.00 -1.26 -1.37 105.19 112.18 2ka9 n GLY 119 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2ka9 n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ka9 n ASN 120 N 0.00 -1.00 0.00 1.61 5.15 -1.25 -4.90 115.26 114.86 2ka9 n ASN 120 Ca 0.00 -1.50 0.13 0.00 -0.60 0.00 0.00 54.58 52.61 2ka9 n ASN 120 Cb 0.00 0.71 0.75 0.00 -0.53 0.00 0.00 39.78 40.71 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka9 n GLN 121 N 1.09 0.76 0.00 1.20 10.64 -0.88 -2.29 117.38 127.90 2ka9 n GLN 121 Ca -0.03 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 2ka9 n GLN 121 Cb 0.74 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.62 2ka9 n GLN 121 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 2ka9 n HIS 122 N -1.03 0.00 -3.19 2.61 -0.00 -1.24 -4.28 115.22 108.09 2ka9 n HIS 122 Ca 0.19 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.47 2ka9 n HIS 122 Cb 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.02 2ka9 n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ka9 s ILE 123 N 0.00 4.92 -0.91 3.57 1.01 -1.26 -4.98 121.20 123.55 2ka9 s ILE 123 Ca 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 2ka9 s ILE 123 Cb 0.00 -4.23 -0.27 0.00 0.01 0.00 0.00 42.46 37.97 2ka9 s ILE 123 CO 0.00 -0.69 2.21 -2.65 0.00 0.00 0.00 174.94 173.81 2ka9 n PRO 124 N 6.03 0.18 0.00 2.79 -0.02 -1.26 -0.26 135.00 142.46 2ka9 n PRO 124 Ca -0.06 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2ka9 n PRO 124 Cb 0.46 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 125 N 5.90 1.56 3.04 -1.23 0.00 -1.26 -5.10 105.19 108.10 2ka9 n GLY 125 Ca 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.56 2ka9 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ka9 s ASP 126 N -2.00 -0.52 0.62 1.61 2.15 0.64 -5.00 116.67 114.18 2ka9 s ASP 126 Ca 0.00 -1.04 0.30 0.00 0.43 0.00 0.00 52.55 52.24 2ka9 s ASP 126 Cb 0.00 1.44 1.61 0.00 -0.30 0.00 0.00 42.92 45.67 2ka9 s ASP 126 CO 0.00 -0.21 1.96 0.78 -0.17 0.00 0.00 175.17 177.53 2ka9 h ASN 127 N 7.07 0.00 -3.19 -0.34 -0.26 -1.84 -3.40 115.58 113.63 2ka9 h ASN 127 Ca 0.05 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.22 2ka9 h ASN 127 Cb 1.13 0.00 0.10 0.00 -1.06 0.00 0.00 38.32 38.49 2ka9 h ASN 127 CO 0.14 0.00 0.64 -1.20 -1.06 0.00 0.00 177.43 175.95 2ka9 n SER 128 N -3.38 3.10 -4.64 5.81 7.64 -1.26 -0.07 113.62 120.82 2ka9 n SER 128 Ca 0.02 1.18 -0.43 0.00 1.01 0.00 0.00 58.87 60.65 2ka9 n SER 128 Cb 0.46 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.14 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 129 N -0.58 4.41 0.11 0.44 1.01 -1.22 -4.58 121.20 120.80 2ka9 s ILE 129 Ca 0.61 1.63 0.07 0.00 0.00 0.00 0.00 60.65 62.95 2ka9 s ILE 129 Cb -0.57 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.52 2ka9 s ILE 129 CO 0.56 -0.47 -0.10 -0.31 0.00 0.00 0.00 174.94 174.62 2ka9 s TYR 130 N 3.81 2.73 0.44 3.97 1.51 -1.08 -0.63 117.35 128.10 2ka9 s TYR 130 Ca 0.48 -0.16 -0.11 0.00 -1.01 0.00 0.00 57.07 56.27 2ka9 s TYR 130 Cb -0.14 -1.43 -0.06 0.00 -0.11 0.00 0.00 41.96 40.23 2ka9 s TYR 130 CO 0.17 0.43 0.82 0.08 -1.11 0.00 0.00 175.55 175.94 2ka9 s VAL 131 N -1.22 4.76 0.00 0.71 1.01 -0.22 -1.40 120.40 124.03 2ka9 s VAL 131 Ca 0.21 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2ka9 s VAL 131 Cb -0.11 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2ka9 s VAL 131 CO 0.14 -0.63 0.00 1.07 0.00 0.00 0.00 175.10 175.68 2ka9 n THR 132 N -1.55 0.00 -3.86 3.92 5.66 0.16 -3.47 114.28 115.15 2ka9 n THR 132 Ca 0.03 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.91 2ka9 n THR 132 Cb 0.54 -0.76 -0.11 0.00 -1.55 0.00 0.00 70.33 68.46 2ka9 n THR 132 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2ka9 s LYS 133 N -1.83 0.36 0.00 1.09 2.36 -1.14 -4.78 119.74 115.81 2ka9 s LYS 133 Ca 0.00 -0.18 0.01 0.00 -2.55 0.00 0.00 55.97 53.25 2ka9 s LYS 133 Cb 0.00 0.16 -0.01 0.00 -1.05 0.00 0.00 37.83 36.93 2ka9 s LYS 133 CO 0.00 -0.08 -0.05 0.42 1.55 0.00 0.00 175.35 177.20 2ka9 s ILE 134 N -0.85 0.35 1.05 5.43 1.01 -1.26 0.19 121.20 127.12 2ka9 s ILE 134 Ca -0.09 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 2ka9 s ILE 134 Cb -0.05 -0.32 0.21 0.00 0.01 0.00 0.00 42.46 42.31 2ka9 s ILE 134 CO 0.01 0.02 1.13 -0.63 0.00 0.00 0.00 174.94 175.47 2ka9 s ILE 135 N -0.28 1.86 -0.02 2.92 1.01 -1.25 -4.99 121.20 120.45 2ka9 s ILE 135 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.49 2ka9 s ILE 135 Cb -0.03 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2ka9 s ILE 135 CO -0.00 0.00 0.45 -0.70 0.00 0.00 0.00 174.94 174.69 2ka9 s GLU 136 N -5.27 4.08 -1.39 2.79 -6.30 -1.26 -4.11 118.70 107.24 2ka9 s GLU 136 Ca 0.68 0.46 0.00 0.00 -2.50 0.00 0.00 54.97 53.61 2ka9 s GLU 136 Cb -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 30.72 2ka9 s GLU 136 CO 0.56 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.79 2ka9 n GLY 137 N 2.20 0.05 3.82 -1.50 0.00 -1.26 -4.95 105.19 103.55 2ka9 n GLY 137 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2ka9 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ka9 s GLY 138 N -2.11 1.72 0.03 -0.02 0.00 -1.26 -4.80 107.32 100.88 2ka9 s GLY 138 Ca 0.00 -1.15 -0.26 0.00 0.00 0.00 0.00 44.72 43.31 2ka9 s GLY 138 CO 0.00 -0.33 1.34 0.00 0.00 0.00 0.00 173.10 174.11 2ka9 h ALA 139 N -2.00 -0.48 -0.10 3.20 0.00 -1.85 -1.63 119.26 116.41 2ka9 h ALA 139 Ca -0.44 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 2ka9 h ALA 139 Cb 1.25 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2ka9 h ALA 139 CO 0.35 -0.64 -0.48 0.00 0.00 0.00 0.00 179.25 178.48 2ka9 h ALA 140 N -0.21 1.00 0.55 0.00 0.00 -1.69 0.33 119.26 119.23 2ka9 h ALA 140 Ca -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2ka9 h ALA 140 Cb 0.50 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ka9 h ALA 140 CO 0.08 0.64 -0.26 1.25 0.00 0.00 0.00 179.25 180.96 2ka9 h HIS 141 N 0.21 -0.68 -0.07 0.00 6.17 -1.74 1.49 115.15 120.53 2ka9 h HIS 141 Ca 0.01 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.00 2ka9 h HIS 141 Cb 0.93 0.23 0.00 0.00 2.52 0.00 0.00 27.41 31.09 2ka9 h HIS 141 CO 0.02 -0.42 -0.24 0.87 0.71 0.00 0.00 177.93 178.86 2ka9 h LYS 142 N -0.73 0.29 0.00 5.26 1.57 -1.29 -2.48 116.57 119.18 2ka9 h LYS 142 Ca -0.08 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2ka9 h LYS 142 Cb 0.56 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2ka9 h LYS 142 CO 0.12 0.85 -0.04 0.22 -0.57 0.00 0.00 179.45 180.03 2ka9 h ASP 143 N -0.22 0.00 -0.35 0.86 3.58 -0.36 -3.38 116.42 116.55 2ka9 h ASP 143 Ca -0.01 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 2ka9 h ASP 143 Cb 0.88 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 2ka9 h ASP 143 CO 0.05 0.55 0.21 1.23 -2.88 0.00 0.00 179.24 178.40 2ka9 h GLY 144 N -1.00 0.51 -0.56 -0.78 0.00 0.19 -3.43 103.07 98.00 2ka9 h GLY 144 Ca -0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 47.33 46.87 2ka9 h GLY 144 CO -0.00 0.21 -0.22 0.54 0.00 0.00 0.00 176.54 177.07 2ka9 n ARG 145 N -4.80 -1.24 -2.97 4.80 3.00 0.22 -4.80 116.66 110.86 2ka9 n ARG 145 Ca -0.01 0.88 -0.44 0.00 -0.01 0.00 0.00 57.85 58.28 2ka9 n ARG 145 Cb 0.06 -5.06 0.00 0.00 0.00 0.00 0.00 32.46 27.45 2ka9 n ARG 145 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2ka9 n LEU 146 N -1.34 5.38 -4.43 0.55 -0.00 -1.26 -5.02 117.00 110.89 2ka9 n LEU 146 Ca -0.12 -4.57 -0.28 0.00 -0.00 0.00 0.00 56.01 51.04 2ka9 n LEU 146 Cb 0.49 -1.58 0.27 0.00 -0.00 0.00 0.00 43.42 42.60 2ka9 n LEU 146 CO 0.18 0.88 0.48 0.00 -0.00 0.00 0.00 177.39 178.93 2ka9 n GLN 147 N 5.00 -2.95 -1.63 1.47 10.64 -1.26 -4.64 117.38 124.00 2ka9 n GLN 147 Ca 0.35 -0.84 -0.55 0.00 -1.83 0.00 0.00 57.00 54.13 2ka9 n GLN 147 Cb 0.42 -2.13 -0.07 0.00 -0.86 0.00 0.00 30.24 27.60 2ka9 n GLN 147 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2ka9 n ILE 148 N -5.17 0.11 0.00 -0.39 5.41 -1.26 -1.90 119.36 116.16 2ka9 n ILE 148 Ca 0.03 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2ka9 n ILE 148 Cb 0.55 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 2ka9 n ILE 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka9 n GLY 149 N 3.09 1.70 3.71 7.39 0.00 -1.23 -5.02 105.19 114.84 2ka9 n GLY 149 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2ka9 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 150 N -1.47 6.62 -0.11 1.61 1.11 -0.80 -4.63 116.67 119.01 2ka9 s ASP 150 Ca 0.00 2.55 0.01 0.00 0.18 0.00 0.00 52.55 55.29 2ka9 s ASP 150 Cb 0.00 -2.59 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 2ka9 s ASP 150 CO 0.00 -0.81 -0.16 -1.59 1.18 0.00 0.00 175.17 173.79 2ka9 s LYS 151 N 1.40 3.17 -0.14 8.23 0.00 -1.26 -1.05 119.74 130.09 2ka9 s LYS 151 Ca 0.70 -0.74 -0.05 0.00 0.00 0.00 0.00 55.97 55.88 2ka9 s LYS 151 Cb -0.42 -2.51 -0.04 0.00 0.00 0.00 0.00 37.83 34.87 2ka9 s LYS 151 CO 0.31 0.26 0.04 0.96 0.00 0.00 0.00 175.35 176.93 2ka9 s ILE 152 N 0.19 4.62 -2.08 3.79 -5.25 0.20 -0.29 121.20 122.38 2ka9 s ILE 152 Ca -0.10 -0.11 0.19 0.00 -0.99 0.00 0.00 60.65 59.64 2ka9 s ILE 152 Cb -0.16 -3.02 0.08 0.00 2.95 0.00 0.00 42.46 42.31 2ka9 s ILE 152 CO 0.06 0.53 1.03 0.00 -1.79 0.00 0.00 174.94 174.77 2ka9 n LEU 153 N 2.86 2.24 0.00 0.37 -0.00 0.10 -3.42 117.00 119.15 2ka9 n LEU 153 Ca -0.18 -0.90 0.00 0.00 -0.00 0.00 0.00 56.01 54.94 2ka9 n LEU 153 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2ka9 n LEU 153 CO 0.32 0.40 0.00 0.00 -0.00 0.00 0.00 177.39 178.11 2ka9 n ALA 154 N 0.57 0.00 -3.86 1.47 0.00 -1.22 -4.65 120.51 112.83 2ka9 n ALA 154 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 2ka9 n ALA 154 Cb 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.76 2ka9 n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ka9 s VAL 155 N -2.00 2.93 0.00 0.00 1.01 -1.06 0.85 120.40 122.13 2ka9 s VAL 155 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 61.98 59.83 2ka9 s VAL 155 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2ka9 s VAL 155 CO 0.00 -0.65 0.00 0.59 0.00 0.00 0.00 175.10 175.04 2ka9 n ASN 156 N 4.48 0.00 -0.81 3.32 3.02 0.15 -1.23 115.26 124.18 2ka9 n ASN 156 Ca -0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 2ka9 n ASN 156 Cb 0.42 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.54 2ka9 n ASN 156 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2ka9 n SER 157 N 1.83 -0.65 -4.78 6.41 2.88 -1.26 -4.95 113.62 113.10 2ka9 n SER 157 Ca 0.00 -1.38 -0.26 0.00 -1.33 0.00 0.00 58.87 55.90 2ka9 n SER 157 Cb 0.00 0.20 -0.06 0.00 -0.75 0.00 0.00 64.21 63.60 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ka9 s VAL 158 N 0.00 4.37 -0.80 2.46 1.01 -0.37 -5.07 120.40 122.00 2ka9 s VAL 158 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2ka9 s VAL 158 Cb 0.00 -3.22 0.22 0.00 0.00 0.00 0.00 36.38 33.38 2ka9 s VAL 158 CO 0.00 -0.11 0.78 0.61 0.00 0.00 0.00 175.10 176.38 2ka9 n GLY 159 N -0.30 4.39 0.70 4.51 0.00 -1.26 -2.57 105.19 110.66 2ka9 n GLY 159 Ca -0.08 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.28 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ka9 n LEU 160 N 1.73 1.63 -2.07 0.99 -0.00 -1.26 -3.17 117.00 114.85 2ka9 n LEU 160 Ca 0.24 -0.82 0.00 0.00 -0.00 0.00 0.00 56.01 55.43 2ka9 n LEU 160 Cb 0.37 -0.45 0.05 0.00 -0.00 0.00 0.00 43.42 43.38 2ka9 n LEU 160 CO 0.39 0.32 0.06 -1.84 -0.00 0.00 0.00 177.39 176.32 2ka9 n GLU 161 N 0.25 1.17 -1.29 1.47 0.28 -1.26 -4.47 120.64 116.78 2ka9 n GLU 161 Ca 0.00 -2.94 0.02 0.00 -0.16 0.00 0.00 57.16 54.08 2ka9 n GLU 161 Cb 0.32 -1.02 0.01 0.00 1.43 0.00 0.00 31.44 32.18 2ka9 n GLU 161 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ka9 n ASP 162 N -0.20 0.60 0.00 -1.84 2.03 -1.19 -4.85 116.55 111.10 2ka9 n ASP 162 Ca 0.10 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.44 2ka9 n ASP 162 Cb 0.95 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2ka9 n VAL 163 N 0.36 0.00 -3.98 5.18 0.31 -1.26 -5.09 118.33 113.85 2ka9 n VAL 163 Ca 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2ka9 n VAL 163 Cb 1.02 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.96 2ka9 n VAL 163 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2ka9 n MET 164 N -1.44 0.01 0.09 5.55 2.81 -1.26 -4.44 117.12 118.43 2ka9 n MET 164 Ca 0.00 -0.09 -0.05 0.00 -1.81 0.00 0.00 57.70 55.75 2ka9 n MET 164 Cb 0.00 0.17 0.13 0.00 -0.71 0.00 0.00 33.22 32.80 2ka9 n MET 164 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2ka9 h HIS 165 N 1.16 0.30 -0.11 2.03 2.07 -1.36 -2.05 115.15 117.20 2ka9 h HIS 165 Ca -0.03 -0.11 -0.17 0.00 -2.85 0.00 0.00 60.37 57.20 2ka9 h HIS 165 Cb 0.19 -0.05 0.01 0.00 2.57 0.00 0.00 27.41 30.12 2ka9 h HIS 165 CO 0.00 0.77 -0.62 1.49 -3.07 0.00 0.00 177.93 176.50 2ka9 h GLU 166 N 0.17 0.60 -0.14 5.12 4.57 -1.91 -0.55 114.58 122.45 2ka9 h GLU 166 Ca -0.01 -0.51 -0.20 0.00 -1.18 0.00 0.00 59.36 57.46 2ka9 h GLU 166 Cb 1.10 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2ka9 h GLU 166 CO 0.09 1.13 -0.73 -0.44 -1.18 0.00 0.00 179.01 177.89 2ka9 h ASP 167 N 0.24 0.75 -0.23 1.04 5.19 -1.93 0.24 116.42 121.72 2ka9 h ASP 167 Ca -0.05 -0.48 -0.17 0.00 -0.62 0.00 0.00 57.03 55.72 2ka9 h ASP 167 Cb 1.26 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 2ka9 h ASP 167 CO 0.13 1.25 -0.47 0.00 -3.12 0.00 0.00 179.24 177.03 2ka9 h ALA 168 N 0.74 0.60 -0.14 3.45 0.00 -1.44 0.37 119.26 122.83 2ka9 h ALA 168 Ca -0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 2ka9 h ALA 168 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ka9 h ALA 168 CO 0.14 0.68 -0.48 0.28 0.00 0.00 0.00 179.25 179.87 2ka9 h VAL 169 N 0.64 1.35 -0.00 0.00 2.07 -1.05 -1.52 116.25 117.73 2ka9 h VAL 169 Ca 0.03 -1.76 -0.13 0.00 0.82 0.00 0.00 66.70 65.67 2ka9 h VAL 169 Cb 1.05 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2ka9 h VAL 169 CO 0.10 0.54 -0.59 0.00 0.02 0.00 0.00 177.57 177.64 2ka9 h ALA 170 N 0.52 1.01 0.00 1.67 0.00 -0.51 -1.60 119.26 120.36 2ka9 h ALA 170 Ca -0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 2ka9 h ALA 170 Cb 1.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2ka9 h ALA 170 CO 0.10 0.74 -0.75 0.00 0.00 0.00 0.00 179.25 179.34 2ka9 h ALA 171 N 1.39 0.67 0.18 0.00 0.00 -0.23 -0.70 119.26 120.57 2ka9 h ALA 171 Ca -0.01 -0.69 -0.31 0.00 0.00 0.00 0.00 54.91 53.90 2ka9 h ALA 171 Cb 1.05 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.74 2ka9 h ALA 171 CO 0.08 0.94 -1.46 1.37 0.00 0.00 0.00 179.25 180.18 2ka9 h LEU 172 N 0.00 0.60 -0.57 0.00 8.10 -1.16 -3.27 115.31 119.01 2ka9 h LEU 172 Ca -0.01 -0.70 -0.10 0.00 0.11 0.00 0.00 57.88 57.18 2ka9 h LEU 172 Cb 1.41 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 41.42 2ka9 h LEU 172 CO 0.10 1.56 -0.50 0.07 -4.11 0.00 0.00 178.44 175.56 2ka9 h LYS 173 N 0.10 0.00 0.00 0.17 5.09 -1.33 -2.93 116.57 117.68 2ka9 h LYS 173 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.51 2ka9 h LYS 173 Cb 2.07 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.40 2ka9 h LYS 173 CO 0.22 0.50 0.00 0.09 -2.09 0.00 0.00 179.45 178.16 2ka9 n ASN 174 N -3.45 0.53 -3.14 7.07 3.02 -0.27 -4.79 115.26 114.24 2ka9 n ASN 174 Ca 0.00 0.63 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 2ka9 n ASN 174 Cb 0.63 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2ka9 n ASN 174 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2ka9 n THR 175 N -2.08 0.00 -3.53 3.41 -2.24 -1.11 -5.04 114.28 103.70 2ka9 n THR 175 Ca 0.02 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 2ka9 n THR 175 Cb 0.22 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 2ka9 n THR 175 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2ka9 s TYR 176 N -0.67 2.38 0.03 4.78 5.04 -1.26 -4.99 117.35 122.66 2ka9 s TYR 176 Ca 0.00 -0.57 0.25 0.00 -2.44 0.00 0.00 57.07 54.30 2ka9 s TYR 176 Cb 0.00 -2.15 1.34 0.00 0.35 0.00 0.00 41.96 41.50 2ka9 s TYR 176 CO 0.00 -0.32 1.74 -0.44 -1.34 0.00 0.00 175.55 175.19 2ka9 h ASP 177 N 0.86 0.00 -2.01 4.32 5.19 -1.92 -3.33 116.42 119.52 2ka9 h ASP 177 Ca -0.39 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 55.65 2ka9 h ASP 177 Cb 1.28 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 40.47 2ka9 h ASP 177 CO 0.55 0.00 -0.68 -0.69 -3.12 0.00 0.00 179.24 175.29 2ka9 s VAL 178 N -3.64 -0.32 0.08 -1.35 1.01 -1.26 0.25 120.40 115.16 2ka9 s VAL 178 Ca -0.03 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.10 2ka9 s VAL 178 Cb 0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2ka9 s VAL 178 CO 0.22 -0.58 -0.21 0.68 0.00 0.00 0.00 175.10 175.21 2ka9 s VAL 179 N 1.59 1.70 -0.20 2.92 -7.23 -0.78 -4.97 120.40 113.43 2ka9 s VAL 179 Ca 0.15 -1.40 -0.09 0.00 -1.81 0.00 0.00 61.98 58.83 2ka9 s VAL 179 Cb -0.15 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 2ka9 s VAL 179 CO -0.09 0.05 0.11 -0.72 -0.31 0.00 0.00 175.10 174.15 2ka9 s TYR 180 N -1.01 3.37 0.16 2.82 -0.85 -1.26 0.18 117.35 120.75 2ka9 s TYR 180 Ca 0.07 0.26 0.06 0.00 -0.52 0.00 0.00 57.07 56.94 2ka9 s TYR 180 Cb -0.09 -2.15 -0.04 0.00 0.38 0.00 0.00 41.96 40.06 2ka9 s TYR 180 CO 0.03 0.24 0.04 -0.48 -1.52 0.00 0.00 175.55 173.87 2ka9 s LEU 181 N 0.40 3.49 -0.32 -3.49 2.34 0.34 0.31 118.68 121.74 2ka9 s LEU 181 Ca 0.07 -0.29 -0.15 0.00 0.06 0.00 0.00 54.13 53.82 2ka9 s LEU 181 Cb -0.11 -2.13 -0.02 0.00 -0.56 0.00 0.00 46.19 43.36 2ka9 s LEU 181 CO -0.01 0.09 0.37 -0.54 -1.06 0.00 0.00 176.35 175.19 2ka9 s LYS 182 N -2.95 3.72 0.29 1.48 -0.14 0.25 -0.65 119.74 121.74 2ka9 s LYS 182 Ca 0.28 -0.26 0.06 0.00 -1.36 0.00 0.00 55.97 54.70 2ka9 s LYS 182 Cb -0.10 -3.75 -0.02 0.00 -1.68 0.00 0.00 37.83 32.28 2ka9 s LYS 182 CO 0.20 -0.44 0.36 0.08 -0.76 0.00 0.00 175.35 174.79 2ka9 s VAL 183 N 2.05 4.46 -0.08 3.17 1.01 -0.65 -0.72 120.40 129.63 2ka9 s VAL 183 Ca 0.13 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2ka9 s VAL 183 Cb -0.16 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.73 2ka9 s VAL 183 CO 0.11 -0.25 0.05 0.00 0.00 0.00 0.00 175.10 175.02 2ka9 s ALA 184 N -2.12 0.41 -0.45 5.51 0.00 0.60 -0.04 121.76 125.67 2ka9 s ALA 184 Ca 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 2ka9 s ALA 184 Cb -0.08 -0.77 0.12 0.00 0.00 0.00 0.00 23.12 22.39 2ka9 s ALA 184 CO 0.29 -0.67 0.24 -1.59 0.00 0.00 0.00 175.76 174.03 2ka9 s LYS 185 N 2.11 2.08 -0.88 0.00 -2.85 -0.70 -4.35 119.74 115.14 2ka9 s LYS 185 Ca 0.04 -1.99 -0.24 0.00 -1.00 0.00 0.00 55.97 52.78 2ka9 s LYS 185 Cb -0.13 -3.58 -0.21 0.00 -2.06 0.00 0.00 37.83 31.84 2ka9 s LYS 185 CO -0.05 -1.09 2.48 -2.30 0.10 0.00 0.00 175.35 174.49 2ka9 n PRO 186 N 4.31 0.25 -3.65 1.78 -0.02 -1.26 -0.58 135.00 135.83 2ka9 n PRO 186 Ca 0.00 -0.09 -0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2ka9 n PRO 186 Cb 0.40 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 2ka9 n PRO 186 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2ka9 s SER 187 N 7.56 -0.01 -0.31 2.55 0.01 -1.25 -4.23 113.70 118.02 2ka9 s SER 187 Ca 1.24 0.01 -0.01 0.00 1.31 0.00 0.00 55.95 58.50 2ka9 s SER 187 Cb -0.84 0.39 0.01 0.00 0.21 0.00 0.00 66.02 65.78 2ka9 s SER 187 CO 0.43 -0.00 0.03 -0.46 0.41 0.00 0.00 173.24 173.64 2ka9 n ASN 188 N 2.07 -1.71 0.00 2.44 0.23 -1.26 -2.73 115.26 114.30 2ka9 n ASN 188 Ca -0.13 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 2ka9 n ASN 188 Cb 0.57 -1.56 0.00 0.00 -2.08 0.00 0.00 39.78 36.70 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33