#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 1.63 0.34 2.12 0.41 0.48 -4.90 118.70 118.78 2ka9 s GLU 2 Ca 0.00 -1.91 0.03 0.00 -0.41 0.00 0.00 54.97 52.68 2ka9 s GLU 2 Cb 0.00 -0.74 -0.05 0.00 -1.78 0.00 0.00 34.13 31.55 2ka9 s GLU 2 CO 0.00 -0.23 0.08 0.71 -0.49 0.00 0.00 175.26 175.33 2ka9 s TYR 3 N -3.37 1.86 -0.28 1.61 1.51 -1.26 -1.31 117.35 116.10 2ka9 s TYR 3 Ca 0.36 -1.07 -0.22 0.00 -1.01 0.00 0.00 57.07 55.13 2ka9 s TYR 3 Cb 0.08 -1.20 0.12 0.00 -0.11 0.00 0.00 41.96 40.85 2ka9 s TYR 3 CO 0.15 -0.11 0.98 -2.00 -1.11 0.00 0.00 175.55 173.46 2ka9 s GLU 4 N -3.87 0.50 -0.22 -0.62 2.56 -0.62 -4.91 118.70 111.51 2ka9 s GLU 4 Ca 0.34 0.67 -0.01 0.00 0.00 0.00 0.00 54.97 55.97 2ka9 s GLU 4 Cb 0.07 0.20 0.06 0.00 2.00 0.00 0.00 34.13 36.47 2ka9 s GLU 4 CO 0.15 -0.07 -0.01 -1.83 -0.56 0.00 0.00 175.26 172.94 2ka9 s GLU 5 N 0.61 1.17 0.04 4.30 -1.05 -1.26 -0.17 118.70 122.34 2ka9 s GLU 5 Ca -0.01 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 2ka9 s GLU 5 Cb -0.05 -2.37 -0.00 0.00 -0.44 0.00 0.00 34.13 31.27 2ka9 s GLU 5 CO -0.09 -0.64 0.01 0.44 0.95 0.00 0.00 175.26 175.93 2ka9 n ILE 6 N 4.83 0.00 -4.80 1.83 -0.00 -0.09 -4.95 119.36 116.18 2ka9 n ILE 6 Ca -0.10 -0.20 -0.29 0.00 -0.00 0.00 0.00 62.75 62.16 2ka9 n ILE 6 Cb 0.45 0.06 -0.17 0.00 -0.00 0.00 0.00 39.64 39.99 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 -1.52 1.69 -0.45 7.28 -4.23 -1.26 -0.26 115.64 116.89 2ka9 s THR 7 Ca 0.01 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 2ka9 s THR 7 Cb 0.00 -1.50 0.13 0.00 1.34 0.00 0.00 72.50 72.47 2ka9 s THR 7 CO 0.01 0.48 0.22 -0.22 -0.54 0.00 0.00 174.62 174.56 2ka9 s LEU 8 N 0.65 3.46 0.90 4.79 2.96 0.12 -4.92 118.68 126.63 2ka9 s LEU 8 Ca -0.13 -2.65 -0.12 0.00 -0.22 0.00 0.00 54.13 51.01 2ka9 s LEU 8 Cb -0.16 -1.30 0.13 0.00 0.50 0.00 0.00 46.19 45.35 2ka9 s LEU 8 CO 0.04 -0.28 1.09 -1.61 -1.32 0.00 0.00 176.35 174.27 2ka9 s GLU 9 N 0.26 1.24 -0.73 1.98 2.02 -1.26 -2.49 118.70 119.73 2ka9 s GLU 9 Ca 0.16 0.78 -0.25 0.00 0.02 0.00 0.00 54.97 55.68 2ka9 s GLU 9 Cb -0.24 -1.81 0.05 0.00 0.10 0.00 0.00 34.13 32.23 2ka9 s GLU 9 CO -0.02 -2.24 1.17 1.03 0.02 0.00 0.00 175.26 175.21 2ka9 s ARG 10 N -4.95 3.19 0.58 1.61 0.52 0.17 -4.63 118.95 115.45 2ka9 s ARG 10 Ca 0.63 -0.55 0.30 0.00 -0.52 0.00 0.00 55.73 55.59 2ka9 s ARG 10 Cb -0.18 -4.28 1.41 0.00 0.52 0.00 0.00 34.95 32.42 2ka9 s ARG 10 CO 0.57 -2.02 1.80 0.78 0.02 0.00 0.00 175.30 176.45 2ka9 h GLY 11 N 12.34 0.00 0.00 -3.53 0.00 -1.88 -3.44 103.07 106.56 2ka9 h GLY 11 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2ka9 h GLY 11 CO 1.25 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.78 2ka9 n ASN 12 N -3.74 0.00 -1.53 0.19 2.85 -1.26 -4.95 115.26 106.83 2ka9 n ASN 12 Ca 0.13 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.49 2ka9 n ASN 12 Cb 0.88 0.00 0.18 0.00 1.24 0.00 0.00 39.78 42.09 2ka9 n ASN 12 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2ka9 n SER 13 N -0.25 3.05 0.00 1.20 2.88 -1.26 -5.04 113.62 114.20 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 1.19 0.13 0.46 0.00 -1.26 -4.97 105.19 99.62 2ka9 n GLY 14 Ca 0.42 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 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 0.45 -1.37 0.99 4.07 -1.92 -3.20 115.31 114.33 2ka9 h LEU 15 Ca 0.00 -0.89 0.00 0.00 0.08 0.00 0.00 57.88 57.07 2ka9 h LEU 15 Cb 0.00 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.59 2ka9 h LEU 15 CO 0.00 1.61 0.00 0.61 -1.08 0.00 0.00 178.44 179.58 2ka9 n GLY 16 N 1.74 0.15 3.56 0.83 0.00 -1.26 0.85 105.19 111.07 2ka9 n GLY 16 Ca -0.23 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.14 -0.52 -0.19 1.61 -0.12 -1.26 -3.37 117.98 112.99 2ka9 s PHE 17 Ca 0.00 0.96 -0.14 0.00 -0.05 0.00 0.00 56.93 57.69 2ka9 s PHE 17 Cb 0.00 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2ka9 s PHE 17 CO 0.00 -0.44 0.32 -1.12 -0.05 0.00 0.00 175.22 173.93 2ka9 s SER 18 N -0.92 6.38 0.19 1.98 0.01 0.03 -5.01 113.70 116.35 2ka9 s SER 18 Ca -0.05 0.44 0.09 0.00 1.31 0.00 0.00 55.95 57.75 2ka9 s SER 18 Cb -0.01 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2ka9 s SER 18 CO 0.04 0.01 -0.12 0.27 0.41 0.00 0.00 173.24 173.85 2ka9 s ILE 19 N 0.96 3.04 -0.30 1.44 -4.36 -1.26 0.31 121.20 121.03 2ka9 s ILE 19 Ca 0.16 -1.75 -0.16 0.00 -0.26 0.00 0.00 60.65 58.64 2ka9 s ILE 19 Cb -0.14 -2.51 0.18 0.00 1.25 0.00 0.00 42.46 41.24 2ka9 s ILE 19 CO 0.06 -0.13 1.09 0.00 0.24 0.00 0.00 174.94 176.20 2ka9 s ALA 20 N -1.74 -2.99 0.00 2.27 0.00 0.39 -4.87 121.76 114.81 2ka9 s ALA 20 Ca 0.25 1.88 0.00 0.00 0.00 0.00 0.00 51.96 54.08 2ka9 s ALA 20 Cb -0.08 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.84 2ka9 s ALA 20 CO 0.14 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2ka9 n GLY 21 N 4.93 0.00 3.47 0.00 0.00 -1.26 -2.77 105.19 109.55 2ka9 n GLY 21 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.83 0.14 -0.02 0.00 -1.25 -0.78 105.19 101.46 2ka9 n GLY 22 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.41 1.44 0.00 2.61 1.03 -0.00 -2.96 112.91 112.62 2ka9 h THR 23 Ca -0.56 -2.19 -0.08 0.00 -0.01 0.00 0.00 66.41 63.57 2ka9 h THR 23 Cb 1.32 2.16 -0.01 0.00 -1.07 0.00 0.00 68.15 70.56 2ka9 h THR 23 CO 0.45 0.64 -0.44 -0.78 -0.01 0.00 0.00 175.52 175.37 2ka9 h ASP 24 N 0.08 0.00 -2.94 0.00 3.58 -1.86 -3.42 116.42 111.86 2ka9 h ASP 24 Ca -0.01 -0.68 -0.62 0.00 0.42 0.00 0.00 57.03 56.14 2ka9 h ASP 24 Cb 1.18 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.82 2ka9 h ASP 24 CO 0.09 1.10 -0.56 0.59 -2.88 0.00 0.00 179.24 177.58 2ka9 n ASN 25 N -4.57 3.20 -4.39 2.28 4.13 -1.25 -5.10 115.26 109.56 2ka9 n ASN 25 Ca -0.16 -3.26 -0.35 0.00 1.68 0.00 0.00 54.58 52.49 2ka9 n ASN 25 Cb 0.49 -0.75 0.08 0.00 -1.54 0.00 0.00 39.78 38.05 2ka9 n ASN 25 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2ka9 n PRO 26 N 1.77 0.06 -0.01 3.52 -0.02 -1.12 -3.87 135.00 135.33 2ka9 n PRO 26 Ca 0.22 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 2ka9 n PRO 26 Cb 0.36 -1.71 -0.16 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.76 0.00 -0.04 6.00 -0.00 -1.26 -4.44 115.22 112.71 2ka9 n HIS 27 Ca 0.07 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.24 2ka9 n HIS 27 Cb 0.52 -0.45 -0.09 0.00 -0.12 0.00 0.00 29.99 29.84 2ka9 n HIS 27 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2ka9 n ILE 28 N -2.19 0.55 -0.82 3.57 -5.35 -1.26 -4.98 119.36 108.89 2ka9 n ILE 28 Ca -0.03 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 2ka9 n ILE 28 Cb 0.53 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 2ka9 n ILE 28 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ka9 n GLY 29 N 2.13 1.28 0.00 3.28 0.00 -1.26 -4.95 105.19 105.67 2ka9 n GLY 29 Ca -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.73 0.00 -3.15 1.61 -0.08 -1.26 -5.10 116.55 109.30 2ka9 n ASP 30 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 2ka9 n ASP 30 Cb 0.19 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.64 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ka9 s ASP 31 N 0.00 -0.97 0.46 1.67 -1.08 -1.26 -5.03 116.67 110.46 2ka9 s ASP 31 Ca 0.00 0.49 0.24 0.00 -0.52 0.00 0.00 52.55 52.76 2ka9 s ASP 31 Cb 0.00 1.77 1.07 0.00 -1.46 0.00 0.00 42.92 44.30 2ka9 s ASP 31 CO 0.00 -0.18 1.90 -0.65 0.52 0.00 0.00 175.17 176.76 2ka9 h PRO 32 N 7.93 0.00 -6.36 4.34 0.11 -1.77 -3.42 132.00 132.83 2ka9 h PRO 32 Ca -0.15 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.41 2ka9 h PRO 32 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2ka9 h PRO 32 CO 0.08 0.21 0.68 -1.12 -0.21 0.00 0.00 178.00 177.65 2ka9 s SER 33 N -6.23 7.03 0.50 -2.05 0.01 -1.18 -0.93 113.70 110.85 2ka9 s SER 33 Ca -0.01 1.90 -0.21 0.00 1.31 0.00 0.00 55.95 58.94 2ka9 s SER 33 Cb 0.11 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 2ka9 s SER 33 CO 0.63 -0.57 1.14 -0.63 0.41 0.00 0.00 173.24 174.21 2ka9 s ILE 34 N 1.98 3.20 0.22 1.44 1.09 0.05 -4.54 121.20 124.63 2ka9 s ILE 34 Ca 0.57 0.82 0.00 0.00 -1.10 0.00 0.00 60.65 60.95 2ka9 s ILE 34 Cb -0.27 -3.37 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 2ka9 s ILE 34 CO 0.24 -0.09 0.15 0.72 -0.10 0.00 0.00 174.94 175.86 2ka9 s PHE 35 N -1.68 1.26 0.08 3.97 -0.71 -1.12 -1.90 117.98 117.89 2ka9 s PHE 35 Ca 0.68 -1.42 -0.00 0.00 -1.04 0.00 0.00 56.93 55.15 2ka9 s PHE 35 Cb -0.25 -0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 40.92 2ka9 s PHE 35 CO 0.30 -0.67 0.24 0.42 -1.34 0.00 0.00 175.22 174.17 2ka9 s ILE 36 N -4.04 5.35 -0.12 -4.49 1.01 0.22 0.15 121.20 119.29 2ka9 s ILE 36 Ca 0.39 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.77 2ka9 s ILE 36 Cb 0.06 -3.64 -0.14 0.00 0.01 0.00 0.00 42.46 38.75 2ka9 s ILE 36 CO 0.14 0.10 0.03 0.41 0.00 0.00 0.00 174.94 175.63 2ka9 n THR 37 N 0.17 0.80 -3.62 2.92 -1.04 0.15 -2.55 114.28 111.10 2ka9 n THR 37 Ca -0.05 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.05 61.43 2ka9 n THR 37 Cb 0.51 -0.70 -0.05 0.00 -1.82 0.00 0.00 70.33 68.28 2ka9 n THR 37 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ka9 s LYS 38 N -2.28 0.23 -0.06 -2.82 2.36 -1.25 -4.83 119.74 111.09 2ka9 s LYS 38 Ca -0.06 0.08 0.00 0.00 -2.55 0.00 0.00 55.97 53.44 2ka9 s LYS 38 Cb 0.04 0.11 -0.03 0.00 -1.05 0.00 0.00 37.83 36.89 2ka9 s LYS 38 CO 0.47 -0.07 -0.03 0.42 1.55 0.00 0.00 175.35 177.70 2ka9 s ILE 39 N -0.88 3.99 0.19 5.43 1.01 -1.26 -0.79 121.20 128.89 2ka9 s ILE 39 Ca 0.06 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 2ka9 s ILE 39 Cb -0.01 -2.68 -0.07 0.00 0.01 0.00 0.00 42.46 39.70 2ka9 s ILE 39 CO -0.06 0.54 0.58 0.27 0.00 0.00 0.00 174.94 176.27 2ka9 s ILE 40 N -0.90 4.84 -1.23 2.92 -4.36 -1.22 -4.98 121.20 116.27 2ka9 s ILE 40 Ca 0.14 0.78 -0.08 0.00 -0.26 0.00 0.00 60.65 61.23 2ka9 s ILE 40 Cb -0.11 -3.71 -0.11 0.00 1.25 0.00 0.00 42.46 39.79 2ka9 s ILE 40 CO 0.04 0.13 2.85 -0.81 0.24 0.00 0.00 174.94 177.38 2ka9 n PRO 41 N 0.47 3.09 0.15 0.37 -0.04 -1.26 -3.83 135.00 133.95 2ka9 n PRO 41 Ca -0.03 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 2ka9 n PRO 41 Cb 0.52 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 3.46 -1.10 3.25 0.55 0.00 -1.26 -5.10 105.19 104.99 2ka9 n GLY 42 Ca 0.66 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 46.58 2ka9 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 43 N -0.54 -3.21 0.19 -0.02 0.00 -1.25 -4.89 105.19 95.46 2ka9 n GLY 43 Ca 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 46.02 44.67 2ka9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 44 N -3.22 0.90 0.14 4.61 0.00 0.00 -3.26 119.26 118.44 2ka9 h ALA 44 Ca -0.45 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.16 2ka9 h ALA 44 Cb 1.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2ka9 h ALA 44 CO 0.30 0.44 -0.41 0.00 0.00 0.00 0.00 179.25 179.58 2ka9 h ALA 45 N 1.65 -0.75 0.00 0.00 0.00 0.22 0.56 119.26 120.95 2ka9 h ALA 45 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2ka9 h ALA 45 Cb 1.00 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2ka9 h ALA 45 CO 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 179.25 178.19 2ka9 h ALA 46 N -0.19 1.61 -0.24 0.00 0.00 -1.76 0.68 119.26 119.37 2ka9 h ALA 46 Ca 0.02 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2ka9 h ALA 46 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2ka9 h ALA 46 CO -0.23 0.16 -0.62 1.96 0.00 0.00 0.00 179.25 180.53 2ka9 h GLN 47 N 0.00 0.81 0.00 0.00 4.20 -1.27 -3.05 115.11 115.80 2ka9 h GLN 47 Ca -0.00 -0.55 -0.18 0.00 0.06 0.00 0.00 58.65 57.98 2ka9 h GLN 47 Cb 0.25 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2ka9 h GLN 47 CO 0.02 1.18 -0.85 -0.44 -0.67 0.00 0.00 178.83 178.06 2ka9 h ASP 48 N 0.60 0.00 -5.58 1.46 5.19 0.88 -3.47 116.42 115.50 2ka9 h ASP 48 Ca -0.01 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.21 2ka9 h ASP 48 Cb 1.22 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.66 2ka9 h ASP 48 CO 0.13 0.84 -0.31 0.61 -3.12 0.00 0.00 179.24 177.39 2ka9 n GLY 49 N 1.31 -0.04 1.64 2.75 0.00 0.23 -4.73 105.19 106.35 2ka9 n GLY 49 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2ka9 n GLY 49 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ka9 n ARG 50 N -2.10 3.93 -3.60 1.61 1.85 -1.26 -4.98 116.66 112.11 2ka9 n ARG 50 Ca -0.10 -3.07 -0.04 0.00 -1.00 0.00 0.00 57.85 53.64 2ka9 n ARG 50 Cb 0.22 -2.13 -0.02 0.00 -1.05 0.00 0.00 32.46 29.48 2ka9 n ARG 50 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2ka9 s LEU 51 N -2.88 -0.18 0.28 2.89 2.34 -1.26 -4.98 118.68 114.88 2ka9 s LEU 51 Ca 0.51 -0.07 0.01 0.00 0.06 0.00 0.00 54.13 54.64 2ka9 s LEU 51 Cb 0.41 1.62 -0.04 0.00 -0.56 0.00 0.00 46.19 47.63 2ka9 s LEU 51 CO 0.13 -0.42 0.45 -0.13 -1.06 0.00 0.00 176.35 175.33 2ka9 s ARG 52 N -2.69 3.49 0.06 1.48 1.81 -1.26 -5.03 118.95 116.81 2ka9 s ARG 52 Ca 0.10 -0.44 -0.18 0.00 -1.72 0.00 0.00 55.73 53.49 2ka9 s ARG 52 Cb 0.00 -2.77 -0.14 0.00 -0.45 0.00 0.00 34.95 31.59 2ka9 s ARG 52 CO -0.05 0.30 1.32 -0.39 -0.68 0.00 0.00 175.30 175.80 2ka9 h VAL 53 N 1.10 1.34 0.00 3.52 -1.51 -1.91 -3.19 116.25 115.60 2ka9 h VAL 53 Ca -0.50 -1.55 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 2ka9 h VAL 53 Cb 1.21 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 32.28 2ka9 h VAL 53 CO 0.63 0.47 0.00 0.59 -1.23 0.00 0.00 177.57 178.03 2ka9 n ASN 54 N -4.35 0.00 -4.93 4.19 3.02 -1.06 0.71 115.26 112.84 2ka9 n ASN 54 Ca -0.06 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.24 2ka9 n ASN 54 Cb 0.48 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.93 5.86 -0.15 6.41 1.47 -1.21 -4.79 116.67 122.33 2ka9 s ASP 55 Ca 0.00 0.56 0.02 0.00 1.18 0.00 0.00 52.55 54.31 2ka9 s ASP 55 Cb 0.00 -1.76 0.01 0.00 -0.34 0.00 0.00 42.92 40.83 2ka9 s ASP 55 CO 0.00 -0.77 -0.20 -0.44 0.68 0.00 0.00 175.17 174.44 2ka9 s SER 56 N -4.21 3.22 -0.67 2.11 0.01 -1.07 -2.26 113.70 110.84 2ka9 s SER 56 Ca 0.49 -0.59 -0.26 0.00 1.31 0.00 0.00 55.95 56.91 2ka9 s SER 56 Cb -0.10 -1.48 -0.09 0.00 0.21 0.00 0.00 66.02 64.56 2ka9 s SER 56 CO 0.41 0.06 2.32 0.27 0.41 0.00 0.00 173.24 176.72 2ka9 s ILE 57 N 0.93 3.08 -0.19 1.44 -4.36 -0.80 -0.77 121.20 120.53 2ka9 s ILE 57 Ca -0.04 -0.02 0.26 0.00 -0.26 0.00 0.00 60.65 60.60 2ka9 s ILE 57 Cb -0.15 -3.19 0.33 0.00 1.25 0.00 0.00 42.46 40.71 2ka9 s ILE 57 CO -0.04 -0.18 1.75 0.17 0.24 0.00 0.00 174.94 176.88 2ka9 h LEU 58 N 20.48 0.00 -6.99 0.37 8.10 0.63 -3.37 115.31 134.53 2ka9 h LEU 58 Ca -0.11 0.00 0.03 0.00 0.11 0.00 0.00 57.88 57.92 2ka9 h LEU 58 Cb 1.12 0.00 -0.22 0.00 -0.44 0.00 0.00 40.66 41.12 2ka9 h LEU 58 CO 1.10 0.05 -0.20 -0.36 -4.11 0.00 0.00 178.44 174.92 2ka9 s PHE 59 N -3.39 -1.22 -0.19 0.17 0.40 0.84 -2.81 117.98 111.78 2ka9 s PHE 59 Ca 0.04 2.11 0.00 0.00 -0.60 0.00 0.00 56.93 58.48 2ka9 s PHE 59 Cb 0.07 0.67 0.02 0.00 0.51 0.00 0.00 43.02 44.29 2ka9 s PHE 59 CO 0.63 -0.63 -0.16 0.14 0.70 0.00 0.00 175.22 175.89 2ka9 s VAL 60 N 2.83 2.34 -1.51 -0.44 -7.23 -1.10 0.16 120.40 115.45 2ka9 s VAL 60 Ca -0.04 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 2ka9 s VAL 60 Cb -0.12 -2.02 0.07 0.00 0.56 0.00 0.00 36.38 34.87 2ka9 s VAL 60 CO -0.17 0.49 0.87 0.59 -0.31 0.00 0.00 175.10 176.57 2ka9 n ASN 61 N 4.65 -3.69 -2.18 4.85 3.02 -0.01 -0.37 115.26 121.53 2ka9 n ASN 61 Ca -0.20 -0.83 -0.18 0.00 -0.03 0.00 0.00 54.58 53.33 2ka9 n ASN 61 Cb 0.50 -3.72 -0.00 0.00 -0.61 0.00 0.00 39.78 35.95 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2ka9 n GLU 62 N -4.56 -1.94 -4.78 3.52 2.13 -1.26 -4.99 120.64 108.75 2ka9 n GLU 62 Ca -0.04 0.87 -0.32 0.00 0.66 0.00 0.00 57.16 58.33 2ka9 n GLU 62 Cb 0.56 -5.40 -0.13 0.00 0.27 0.00 0.00 31.44 26.74 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 -2.94 3.09 -0.20 6.31 1.01 0.50 -5.07 120.40 123.10 2ka9 s VAL 63 Ca 0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 2ka9 s VAL 63 Cb -0.02 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2ka9 s VAL 63 CO 0.06 0.51 1.81 -1.81 0.00 0.00 0.00 175.10 175.66 2ka9 s ASP 64 N -0.98 6.14 0.00 3.32 1.01 -1.26 -2.72 116.67 122.18 2ka9 s ASP 64 Ca 0.13 1.77 0.11 0.00 0.71 0.00 0.00 52.55 55.26 2ka9 s ASP 64 Cb -0.11 -2.53 0.18 0.00 1.01 0.00 0.00 42.92 41.47 2ka9 s ASP 64 CO 0.03 -1.43 1.01 0.55 0.21 0.00 0.00 175.17 175.53 2ka9 n VAL 65 N 6.70 0.00 1.29 -1.27 3.14 -1.22 -4.82 118.33 122.15 2ka9 n VAL 65 Ca 0.22 -0.41 0.08 0.00 -2.96 0.00 0.00 64.34 61.26 2ka9 n VAL 65 Cb 0.45 0.64 0.30 0.00 -1.06 0.00 0.00 33.84 34.17 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2ka9 n ARG 66 N 0.21 1.59 0.00 1.45 1.85 -1.12 -4.26 116.66 116.38 2ka9 n ARG 66 Ca -0.03 -0.90 0.00 0.00 -1.00 0.00 0.00 57.85 55.91 2ka9 n ARG 66 Cb 0.86 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.96 2ka9 n ARG 66 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2ka9 n GLU 67 N 0.16 0.00 -4.88 2.89 0.28 -1.26 -3.91 120.64 113.92 2ka9 n GLU 67 Ca 0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.83 2ka9 n GLU 67 Cb 0.25 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.98 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ka9 s VAL 68 N 0.00 2.14 1.00 3.84 -7.23 -1.23 -4.60 120.40 114.32 2ka9 s VAL 68 Ca 0.00 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 58.61 2ka9 s VAL 68 Cb 0.00 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.12 2ka9 s VAL 68 CO 0.00 0.35 0.03 0.41 -0.31 0.00 0.00 175.10 175.58 2ka9 n THR 69 N 1.74 0.00 -0.10 5.32 -1.04 -1.26 -1.57 114.28 117.37 2ka9 n THR 69 Ca -0.17 -0.25 -0.06 0.00 -2.04 0.00 0.00 64.05 61.53 2ka9 n THR 69 Cb 0.52 -0.50 0.01 0.00 -1.82 0.00 0.00 70.33 68.55 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2ka9 h HIS 70 N -1.58 0.09 -0.97 -1.42 2.76 -1.92 -2.07 115.15 110.05 2ka9 h HIS 70 Ca -0.46 0.02 0.21 0.00 -2.20 0.00 0.00 60.37 57.94 2ka9 h HIS 70 Cb 1.31 0.01 -0.11 0.00 1.55 0.00 0.00 27.41 30.17 2ka9 h HIS 70 CO 0.28 0.00 0.55 0.77 -1.30 0.00 0.00 177.93 178.24 2ka9 h SER 71 N 0.17 0.65 -0.26 3.26 0.02 -1.99 0.44 113.55 115.84 2ka9 h SER 71 Ca 0.16 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2ka9 h SER 71 Cb 0.19 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2ka9 h SER 71 CO -0.22 0.17 0.07 0.00 -1.14 0.00 0.00 176.83 175.71 2ka9 h ALA 72 N 1.67 1.49 -0.23 3.77 0.00 -1.69 0.22 119.26 124.48 2ka9 h ALA 72 Ca 0.58 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 2ka9 h ALA 72 Cb 0.99 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ka9 h ALA 72 CO -0.43 0.38 -0.52 0.00 0.00 0.00 0.00 179.25 178.67 2ka9 h ALA 73 N 1.59 0.37 -0.48 0.00 0.00 -0.06 -1.27 119.26 119.42 2ka9 h ALA 73 Ca 0.11 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2ka9 h ALA 73 Cb 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2ka9 h ALA 73 CO -0.00 0.57 0.02 0.28 0.00 0.00 0.00 179.25 180.12 2ka9 h VAL 74 N 0.49 1.24 -0.03 0.00 2.07 -0.36 -1.84 116.25 117.81 2ka9 h VAL 74 Ca -0.00 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 2ka9 h VAL 74 Cb 1.14 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2ka9 h VAL 74 CO 0.11 0.34 -0.45 -0.33 0.02 0.00 0.00 177.57 177.26 2ka9 h GLU 75 N 0.73 0.08 -0.25 1.57 5.08 -0.44 0.23 114.58 121.58 2ka9 h GLU 75 Ca 0.15 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2ka9 h GLU 75 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2ka9 h GLU 75 CO 0.01 0.52 -0.46 0.00 -1.00 0.00 0.00 179.01 178.08 2ka9 h ALA 76 N 1.48 0.72 0.00 3.43 0.00 -0.53 0.07 119.26 124.43 2ka9 h ALA 76 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 2ka9 h ALA 76 Cb 0.83 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2ka9 h ALA 76 CO 0.06 0.67 -0.80 1.37 0.00 0.00 0.00 179.25 180.56 2ka9 h LEU 77 N 0.52 0.00 -0.29 0.00 8.10 -1.13 -1.58 115.31 120.92 2ka9 h LEU 77 Ca 0.03 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.83 2ka9 h LEU 77 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.21 2ka9 h LEU 77 CO 0.09 0.62 -0.87 0.07 -4.11 0.00 0.00 178.44 174.24 2ka9 h LYS 78 N 0.00 0.19 -0.31 0.17 5.09 -0.35 -3.22 116.57 118.14 2ka9 h LYS 78 Ca -0.04 -0.20 -0.16 0.00 0.09 0.00 0.00 60.65 60.34 2ka9 h LYS 78 Cb 1.51 0.06 -0.09 0.00 0.10 0.00 0.00 32.23 33.80 2ka9 h LYS 78 CO 0.07 0.94 -0.14 -1.91 -2.09 0.00 0.00 179.45 176.33 2ka9 n GLU 79 N -3.66 1.81 0.04 0.07 2.13 -0.00 -4.53 120.64 116.49 2ka9 n GLU 79 Ca -0.03 -3.21 0.10 0.00 0.66 0.00 0.00 57.16 54.68 2ka9 n GLU 79 Cb 0.80 -1.79 -0.10 0.00 0.27 0.00 0.00 31.44 30.62 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ka9 n ALA 80 N -1.12 2.62 0.00 4.31 0.00 -0.60 -4.96 120.51 120.76 2ka9 n ALA 80 Ca 0.31 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2ka9 n ALA 80 Cb 0.99 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2ka9 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka9 n GLY 81 N 1.25 0.44 0.12 0.00 0.00 -1.26 -3.93 105.19 101.80 2ka9 n GLY 81 Ca -0.03 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 5.24 1.69 -3.28 1.61 7.64 -1.26 -4.75 113.62 120.51 2ka9 n SER 82 Ca 0.00 -2.46 -0.08 0.00 1.01 0.00 0.00 58.87 57.34 2ka9 n SER 82 Cb 0.00 -0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.70 -0.67 -0.14 0.44 1.01 -1.25 0.44 121.20 119.33 2ka9 s ILE 83 Ca 0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 2ka9 s ILE 83 Cb 0.14 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2ka9 s ILE 83 CO 0.02 -0.28 0.09 -0.69 0.00 0.00 0.00 174.94 174.08 2ka9 s VAL 84 N 2.04 5.11 -0.91 2.92 1.01 -1.04 -4.89 120.40 124.64 2ka9 s VAL 84 Ca 0.14 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 2ka9 s VAL 84 Cb -0.11 -3.24 0.14 0.00 0.00 0.00 0.00 36.38 33.17 2ka9 s VAL 84 CO -0.15 0.56 1.07 -0.13 0.00 0.00 0.00 175.10 176.44 2ka9 s ARG 85 N -0.52 3.59 -0.35 2.72 1.81 -1.26 0.12 118.95 125.05 2ka9 s ARG 85 Ca 0.11 -1.85 -0.25 0.00 -1.72 0.00 0.00 55.73 52.03 2ka9 s ARG 85 Cb -0.12 -4.83 0.01 0.00 -0.45 0.00 0.00 34.95 29.56 2ka9 s ARG 85 CO 0.02 -1.70 0.87 -0.51 -0.68 0.00 0.00 175.30 173.30 2ka9 s LEU 86 N 2.34 4.04 -0.29 2.53 1.43 0.64 -0.83 118.68 128.54 2ka9 s LEU 86 Ca 0.30 0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 53.91 2ka9 s LEU 86 Cb -0.06 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.99 2ka9 s LEU 86 CO -0.09 -0.78 0.05 -0.47 0.23 0.00 0.00 176.35 175.29 2ka9 s TYR 87 N 3.30 3.15 0.36 0.29 6.14 0.44 -0.92 117.35 130.09 2ka9 s TYR 87 Ca 0.36 -1.16 0.06 0.00 0.64 0.00 0.00 57.07 56.97 2ka9 s TYR 87 Cb -0.13 -2.21 -0.07 0.00 0.42 0.00 0.00 41.96 39.97 2ka9 s TYR 87 CO 0.17 -0.63 -0.00 0.14 0.64 0.00 0.00 175.55 175.87 2ka9 s VAL 88 N 1.45 1.77 -0.25 3.14 -7.23 0.77 0.11 120.40 120.15 2ka9 s VAL 88 Ca 0.01 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2ka9 s VAL 88 Cb -0.17 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.03 2ka9 s VAL 88 CO 0.01 -0.08 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.34 2ka9 s MET 89 N -3.74 1.82 -0.05 4.82 1.75 0.05 -1.59 119.30 122.35 2ka9 s MET 89 Ca 0.34 -1.19 0.05 0.00 -1.25 0.00 0.00 55.69 53.64 2ka9 s MET 89 Cb 0.07 -2.73 -0.02 0.00 2.84 0.00 0.00 34.83 34.99 2ka9 s MET 89 CO 0.16 -0.62 -0.19 0.50 -0.65 0.00 0.00 175.02 174.22 2ka9 s ARG 90 N 1.25 2.47 -0.15 4.11 3.52 -0.43 -2.58 118.95 127.14 2ka9 s ARG 90 Ca -0.05 -0.79 -0.13 0.00 -0.13 0.00 0.00 55.73 54.62 2ka9 s ARG 90 Cb -0.19 -2.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.88 2ka9 s ARG 90 CO -0.06 0.54 0.27 1.03 -0.81 0.00 0.00 175.30 176.27 2ka9 s ARG 91 N -0.53 4.17 -0.34 5.12 3.00 -1.26 -0.38 118.95 128.74 2ka9 s ARG 91 Ca 0.07 0.07 -0.24 0.00 0.00 0.00 0.00 55.73 55.64 2ka9 s ARG 91 Cb -0.11 -3.40 0.01 0.00 0.00 0.00 0.00 34.95 31.45 2ka9 s ARG 91 CO 0.01 0.31 0.80 -1.59 0.00 0.00 0.00 175.30 174.83 2ka9 s LYS 92 N 0.26 3.87 -0.46 3.54 0.00 -1.26 -4.91 119.74 120.78 2ka9 s LYS 92 Ca 0.16 0.48 -0.29 0.00 0.00 0.00 0.00 55.97 56.32 2ka9 s LYS 92 Cb -0.13 -3.77 0.02 0.00 0.00 0.00 0.00 37.83 33.96 2ka9 s LYS 92 CO 0.04 -0.78 1.22 -1.25 0.00 0.00 0.00 175.35 174.59 2ka9 s PRO 93 N 3.07 3.68 0.00 1.78 0.04 -1.26 -4.60 135.00 137.71 2ka9 s PRO 93 Ca 0.33 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2ka9 s PRO 93 Cb -0.13 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.46 2ka9 s PRO 93 CO 0.15 -1.44 0.00 -0.35 0.04 0.00 0.00 177.00 175.40 2ka9 n PRO 94 N 7.91 3.07 -0.19 0.56 -0.04 -1.26 -5.00 135.00 140.05 2ka9 n PRO 94 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2ka9 n PRO 94 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ka9 n ALA 95 N -3.00 -0.07 -0.44 0.55 0.00 -1.26 -4.97 120.51 111.32 2ka9 n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ka9 n ALA 95 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2ka9 n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ka9 n GLU 96 N -0.19 -1.14 -3.89 0.00 1.02 -1.23 -4.82 120.64 110.38 2ka9 n GLU 96 Ca 0.00 0.89 -0.09 0.00 -0.02 0.00 0.00 57.16 57.93 2ka9 n GLU 96 Cb 0.06 -1.11 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 2ka9 n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ka9 s LYS 97 N -4.42 1.28 -0.20 3.49 1.02 -1.25 -4.88 119.74 114.79 2ka9 s LYS 97 Ca 0.00 -1.08 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 2ka9 s LYS 97 Cb 0.00 0.44 0.01 0.00 -0.52 0.00 0.00 37.83 37.75 2ka9 s LYS 97 CO 0.00 -0.50 -0.13 0.08 -0.92 0.00 0.00 175.35 173.88 2ka9 s VAL 98 N -3.94 2.66 0.60 3.17 1.01 -1.26 -0.41 120.40 122.22 2ka9 s VAL 98 Ca 0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2ka9 s VAL 98 Cb 0.01 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2ka9 s VAL 98 CO 0.00 0.49 0.91 -0.32 0.00 0.00 0.00 175.10 176.18 2ka9 s MET 99 N 1.35 2.76 -0.25 2.72 1.75 0.28 -4.90 119.30 123.00 2ka9 s MET 99 Ca 0.05 -0.12 -0.01 0.00 -1.25 0.00 0.00 55.69 54.36 2ka9 s MET 99 Cb -0.14 -2.28 0.07 0.00 2.84 0.00 0.00 34.83 35.33 2ka9 s MET 99 CO -0.08 -0.79 0.03 -1.21 -0.65 0.00 0.00 175.02 172.31 2ka9 s GLU 100 N -5.01 1.04 0.21 4.11 2.02 -1.26 -1.84 118.70 117.96 2ka9 s GLU 100 Ca 0.55 -0.90 0.11 0.00 0.02 0.00 0.00 54.97 54.75 2ka9 s GLU 100 Cb -0.11 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 2ka9 s GLU 100 CO 0.44 -0.75 -0.19 0.42 0.02 0.00 0.00 175.26 175.21 2ka9 s ILE 101 N 1.57 2.63 -0.07 -1.63 -1.09 -0.53 -4.99 121.20 117.11 2ka9 s ILE 101 Ca 0.01 -2.01 0.03 0.00 -2.23 0.00 0.00 60.65 56.46 2ka9 s ILE 101 Cb -0.18 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.38 2ka9 s ILE 101 CO -0.13 -0.18 -0.16 -1.59 -1.23 0.00 0.00 174.94 171.66 2ka9 s LYS 102 N -2.91 2.70 -0.09 2.79 0.00 -1.26 0.79 119.74 121.75 2ka9 s LYS 102 Ca 0.24 -0.73 -0.02 0.00 0.00 0.00 0.00 55.97 55.46 2ka9 s LYS 102 Cb -0.07 -2.40 0.03 0.00 0.00 0.00 0.00 37.83 35.39 2ka9 s LYS 102 CO 0.13 0.50 0.01 -1.17 0.00 0.00 0.00 175.35 174.81 2ka9 s LEU 103 N -0.40 0.68 -0.03 2.77 0.20 0.82 -2.44 118.68 120.28 2ka9 s LEU 103 Ca 0.04 -0.20 -0.03 0.00 0.69 0.00 0.00 54.13 54.63 2ka9 s LEU 103 Cb -0.12 -0.47 -0.04 0.00 -0.43 0.00 0.00 46.19 45.13 2ka9 s LEU 103 CO 0.02 -0.21 0.16 0.27 -0.29 0.00 0.00 176.35 176.30 2ka9 s ILE 104 N 1.95 5.34 0.64 6.68 -4.36 -1.26 -1.75 121.20 128.44 2ka9 s ILE 104 Ca 0.04 -0.12 -0.12 0.00 -0.26 0.00 0.00 60.65 60.19 2ka9 s ILE 104 Cb -0.13 -3.45 -0.02 0.00 1.25 0.00 0.00 42.46 40.11 2ka9 s ILE 104 CO -0.06 0.39 1.04 -0.75 0.24 0.00 0.00 174.94 175.81 2ka9 s LYS 105 N -1.70 3.28 0.00 0.37 2.20 0.27 -4.38 119.74 119.78 2ka9 s LYS 105 Ca 0.24 0.95 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 2ka9 s LYS 105 Cb -0.12 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 2ka9 s LYS 105 CO 0.15 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 2ka9 n GLY 106 N -1.97 4.65 0.13 5.54 0.00 0.43 -4.93 105.19 109.05 2ka9 n GLY 106 Ca 0.07 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 2ka9 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ka9 h PRO 107 N 0.00 0.22 -0.69 1.61 0.13 -1.99 -3.07 132.00 128.21 2ka9 h PRO 107 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2ka9 h PRO 107 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2ka9 h PRO 107 CO 0.00 0.95 0.00 1.17 -0.23 0.00 0.00 178.00 179.89 2ka9 n LYS 108 N -3.68 3.73 0.00 0.86 3.00 -1.26 -5.02 118.16 115.78 2ka9 n LYS 108 Ca -0.04 -2.26 0.00 0.00 -0.00 0.00 0.00 58.31 56.01 2ka9 n LYS 108 Cb 0.80 -2.02 0.00 0.00 0.00 0.00 0.00 35.03 33.81 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ka9 n GLY 109 N 0.52 0.48 0.14 3.14 0.00 -1.16 -4.43 105.19 103.88 2ka9 n GLY 109 Ca 0.20 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.53 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 110 N 0.00 0.00 -1.23 0.99 4.07 -1.86 1.24 115.31 118.52 2ka9 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ka9 h LEU 110 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 110 CO 0.00 0.14 0.00 0.61 -1.08 0.00 0.00 178.44 178.11 2ka9 n GLY 111 N 1.20 0.66 3.63 0.83 0.00 -1.26 -3.00 105.19 107.24 2ka9 n GLY 111 Ca -0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.62 -0.04 -0.17 1.61 -0.71 -1.26 -3.94 117.98 110.84 2ka9 s PHE 112 Ca 0.00 0.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.93 2ka9 s PHE 112 Cb 0.00 0.50 0.03 0.00 -1.21 0.00 0.00 43.02 42.35 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 -1.81 3.04 0.13 1.98 0.15 0.61 -4.95 113.70 112.85 2ka9 s SER 113 Ca 0.11 -0.70 0.09 0.00 0.70 0.00 0.00 55.95 56.15 2ka9 s SER 113 Cb -0.01 -1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 63.10 2ka9 s SER 113 CO -0.04 -0.12 -0.22 0.27 1.20 0.00 0.00 173.24 174.33 2ka9 s ILE 114 N 1.47 1.96 -0.16 6.45 -4.36 -1.26 0.13 121.20 125.44 2ka9 s ILE 114 Ca 0.01 -1.74 -0.07 0.00 -0.26 0.00 0.00 60.65 58.59 2ka9 s ILE 114 Cb -0.15 -1.81 0.07 0.00 1.25 0.00 0.00 42.46 41.82 2ka9 s ILE 114 CO -0.09 -0.08 0.35 0.00 0.24 0.00 0.00 174.94 175.37 2ka9 s ALA 115 N -1.38 -0.89 0.20 2.27 0.00 -0.62 -4.91 121.76 116.44 2ka9 s ALA 115 Ca 0.12 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.35 2ka9 s ALA 115 Cb -0.09 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.05 2ka9 s ALA 115 CO 0.06 -0.45 0.34 0.41 0.00 0.00 0.00 175.76 176.12 2ka9 n GLY 116 N 4.76 2.06 7.00 0.00 0.00 -1.26 -2.86 105.19 114.89 2ka9 n GLY 116 Ca -0.17 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.74 3.82 -0.02 0.00 -1.24 -4.19 105.19 104.00 2ka9 n GLY 117 Ca -0.02 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 4.64 0.00 1.61 1.01 -1.25 -4.16 120.40 122.24 2ka9 s VAL 118 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2ka9 s VAL 118 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2ka9 s VAL 118 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.62 2ka9 n GLY 119 N -0.33 2.31 0.00 4.51 0.00 -1.26 -1.19 105.19 109.22 2ka9 n GLY 119 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2ka9 n GLY 119 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ka9 n ASN 120 N 0.14 0.00 -4.26 1.61 6.94 -1.26 -5.01 115.26 113.42 2ka9 n ASN 120 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.19 2ka9 n ASN 120 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ka9 s GLN 121 N 0.00 2.77 0.67 -3.83 1.03 -1.26 -4.32 119.66 114.72 2ka9 s GLN 121 Ca 0.00 -1.06 0.38 0.00 0.04 0.00 0.00 55.36 54.73 2ka9 s GLN 121 Cb 0.00 -3.30 2.10 0.00 0.03 0.00 0.00 33.01 31.84 2ka9 s GLN 121 CO 0.00 -0.54 2.19 1.12 -2.54 0.00 0.00 175.29 175.52 2ka9 h HIS 122 N 8.15 0.00 -3.01 9.60 -0.00 -1.95 -3.41 115.15 124.53 2ka9 h HIS 122 Ca -0.27 0.00 -0.65 0.00 -0.00 0.00 0.00 60.37 59.45 2ka9 h HIS 122 Cb 1.10 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.42 2ka9 h HIS 122 CO 0.60 0.00 -0.55 0.42 -0.00 0.00 0.00 177.93 178.40 2ka9 s ILE 123 N -4.14 4.94 0.00 6.12 -1.09 -1.26 -5.00 121.20 120.77 2ka9 s ILE 123 Ca -0.04 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 2ka9 s ILE 123 Cb 0.11 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2ka9 s ILE 123 CO 0.36 0.35 1.52 -2.65 -1.23 0.00 0.00 174.94 173.29 2ka9 n PRO 124 N 1.14 0.88 0.00 2.79 -0.02 -1.26 -3.28 135.00 135.24 2ka9 n PRO 124 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2ka9 n PRO 124 Cb 0.53 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 1.30 0.00 2.32 -1.23 0.00 -1.26 -5.01 105.19 101.31 2ka9 n GLY 125 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2ka9 n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ka9 n ASP 126 N -1.69 -2.56 0.00 1.61 5.68 -1.21 -4.58 116.55 113.80 2ka9 n ASP 126 Ca 0.00 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 2ka9 n ASP 126 Cb 0.34 -2.29 0.00 0.00 -1.14 0.00 0.00 41.12 38.03 2ka9 n ASP 126 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2ka9 n ASN 127 N -1.38 0.12 -4.69 -1.12 3.02 -1.26 -3.71 115.26 106.24 2ka9 n ASN 127 Ca -0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.07 2ka9 n ASN 127 Cb 0.51 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 2ka9 n ASN 127 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ka9 s SER 128 N -4.75 6.79 -0.06 6.41 0.01 -1.26 -4.00 113.70 116.85 2ka9 s SER 128 Ca 0.00 0.96 -0.27 0.00 1.31 0.00 0.00 55.95 57.95 2ka9 s SER 128 Cb 0.00 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 2ka9 s SER 128 CO 0.00 -0.17 0.85 -0.63 0.41 0.00 0.00 173.24 173.70 2ka9 s ILE 129 N 1.31 4.94 0.07 1.44 1.01 -1.18 -4.46 121.20 124.33 2ka9 s ILE 129 Ca 0.31 1.76 0.09 0.00 0.00 0.00 0.00 60.65 62.81 2ka9 s ILE 129 Cb -0.16 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 2ka9 s ILE 129 CO 0.13 0.17 -0.23 -0.31 0.00 0.00 0.00 174.94 174.69 2ka9 s TYR 130 N 1.16 2.41 0.70 3.97 1.51 -1.13 -0.67 117.35 125.30 2ka9 s TYR 130 Ca 0.44 -0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 56.02 2ka9 s TYR 130 Cb -0.19 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 2ka9 s TYR 130 CO 0.21 0.24 1.13 0.08 -1.11 0.00 0.00 175.55 176.10 2ka9 s VAL 131 N -0.94 3.05 0.00 0.71 1.01 -0.38 -1.59 120.40 122.27 2ka9 s VAL 131 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2ka9 s VAL 131 Cb -0.10 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2ka9 s VAL 131 CO 0.05 -0.32 0.00 1.07 0.00 0.00 0.00 175.10 175.89 2ka9 n THR 132 N -2.70 0.00 -3.70 3.92 5.66 0.35 -4.04 114.28 113.77 2ka9 n THR 132 Ca 0.11 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.00 2ka9 n THR 132 Cb 0.52 -0.60 -0.12 0.00 -1.55 0.00 0.00 70.33 68.58 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 -1.74 0.30 0.01 1.09 2.36 -0.82 -4.91 119.74 116.04 2ka9 s LYS 133 Ca 0.00 0.71 0.08 0.00 -2.55 0.00 0.00 55.97 54.21 2ka9 s LYS 133 Cb 0.00 -0.04 -0.02 0.00 -1.05 0.00 0.00 37.83 36.72 2ka9 s LYS 133 CO 0.00 -0.18 -0.26 0.42 1.55 0.00 0.00 175.35 176.88 2ka9 s ILE 134 N 1.50 2.08 0.96 5.43 1.01 -1.26 0.22 121.20 131.14 2ka9 s ILE 134 Ca -0.08 -1.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.20 2ka9 s ILE 134 Cb -0.10 -1.74 0.18 0.00 0.01 0.00 0.00 42.46 40.81 2ka9 s ILE 134 CO -0.11 0.49 1.22 -0.63 0.00 0.00 0.00 174.94 175.91 2ka9 s ILE 135 N -0.68 1.94 -0.07 2.92 -1.09 -1.25 -4.99 121.20 117.97 2ka9 s ILE 135 Ca 0.11 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 58.36 2ka9 s ILE 135 Cb -0.10 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 2ka9 s ILE 135 CO 0.00 0.00 0.46 -0.70 -1.23 0.00 0.00 174.94 173.47 2ka9 s GLU 136 N -5.61 4.20 -1.60 2.79 2.12 -1.26 -4.07 118.70 115.27 2ka9 s GLU 136 Ca 0.69 0.45 0.00 0.00 0.36 0.00 0.00 54.97 56.47 2ka9 s GLU 136 Cb -0.09 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2ka9 s GLU 136 CO 0.53 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 176.02 2ka9 n GLY 137 N 2.70 0.50 0.39 -1.50 0.00 -1.26 -4.95 105.19 101.08 2ka9 n GLY 137 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 2ka9 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 138 N -0.63 -2.10 0.11 -0.02 0.00 -1.26 -4.83 105.19 96.47 2ka9 n GLY 138 Ca -0.18 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 2ka9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 139 N -2.05 -0.15 -0.07 4.61 0.00 -1.80 -3.07 119.26 116.73 2ka9 h ALA 139 Ca -0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 2ka9 h ALA 139 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ka9 h ALA 139 CO 0.03 -0.23 -0.48 0.00 0.00 0.00 0.00 179.25 178.57 2ka9 h ALA 140 N -0.22 1.06 0.64 0.00 0.00 -1.70 0.19 119.26 119.23 2ka9 h ALA 140 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2ka9 h ALA 140 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ka9 h ALA 140 CO 0.03 0.64 -0.46 1.25 0.00 0.00 0.00 179.25 180.70 2ka9 h HIS 141 N 0.15 -1.24 -0.14 0.00 6.17 -1.74 1.47 115.15 119.81 2ka9 h HIS 141 Ca 0.01 -0.00 -0.16 0.00 0.71 0.00 0.00 60.37 60.92 2ka9 h HIS 141 Cb 0.91 0.46 0.01 0.00 2.52 0.00 0.00 27.41 31.30 2ka9 h HIS 141 CO 0.01 -0.66 -0.55 -0.22 0.71 0.00 0.00 177.93 177.23 2ka9 h LYS 142 N -1.05 0.63 0.00 5.26 3.64 -1.57 -2.00 116.57 121.48 2ka9 h LYS 142 Ca -0.08 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2ka9 h LYS 142 Cb 0.86 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2ka9 h LYS 142 CO 0.04 1.10 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.84 2ka9 h ASP 143 N 0.28 0.00 -0.54 4.20 3.32 -0.63 -3.38 116.42 119.68 2ka9 h ASP 143 Ca -0.03 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2ka9 h ASP 143 Cb 1.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2ka9 h ASP 143 CO 0.12 0.55 0.09 1.23 -1.72 0.00 0.00 179.24 179.50 2ka9 h GLY 144 N -1.00 0.96 -1.15 2.75 0.00 0.20 -3.43 103.07 101.39 2ka9 h GLY 144 Ca -0.00 -0.64 -0.40 0.00 0.00 0.00 0.00 47.33 46.29 2ka9 h GLY 144 CO -0.00 0.59 -0.38 0.54 0.00 0.00 0.00 176.54 177.29 2ka9 n ARG 145 N -4.37 -1.38 -3.22 4.80 3.00 0.26 -4.77 116.66 110.99 2ka9 n ARG 145 Ca 0.02 1.16 -0.45 0.00 -0.01 0.00 0.00 57.85 58.56 2ka9 n ARG 145 Cb 0.26 -5.51 -0.01 0.00 0.00 0.00 0.00 32.46 27.20 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2ka9 s LEU 146 N -4.57 6.12 1.08 0.55 2.34 -1.26 -5.04 118.68 117.90 2ka9 s LEU 146 Ca 0.00 -2.97 -0.13 0.00 0.06 0.00 0.00 54.13 51.09 2ka9 s LEU 146 Cb 0.00 -2.27 0.24 0.00 -0.56 0.00 0.00 46.19 43.60 2ka9 s LEU 146 CO 0.00 -0.57 1.06 0.00 -1.06 0.00 0.00 176.35 175.79 2ka9 s GLN 147 N 0.22 -0.25 -0.29 1.48 -2.07 -1.26 -4.71 119.66 112.78 2ka9 s GLN 147 Ca 0.28 0.71 -0.41 0.00 -1.82 0.00 0.00 55.36 54.12 2ka9 s GLN 147 Cb -0.08 -1.64 -0.16 0.00 -1.09 0.00 0.00 33.01 30.04 2ka9 s GLN 147 CO -0.07 -3.24 1.72 -0.89 -1.32 0.00 0.00 175.29 171.49 2ka9 n ILE 148 N -4.56 0.27 0.00 3.63 5.41 -1.26 -2.14 119.36 120.71 2ka9 n ILE 148 Ca 0.04 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2ka9 n ILE 148 Cb 0.56 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 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 4.15 1.49 3.69 7.39 0.00 -1.26 -5.02 105.19 115.63 2ka9 n GLY 149 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.01 6.57 -0.21 1.61 1.11 -0.91 -4.68 116.67 119.15 2ka9 s ASP 150 Ca 0.00 2.53 -0.05 0.00 0.18 0.00 0.00 52.55 55.22 2ka9 s ASP 150 Cb 0.00 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.41 2ka9 s ASP 150 CO 0.00 -0.90 -0.01 -1.59 1.18 0.00 0.00 175.17 173.84 2ka9 s LYS 151 N 2.59 3.52 -0.18 8.23 -2.85 -1.26 -1.24 119.74 128.54 2ka9 s LYS 151 Ca 0.75 -0.56 -0.07 0.00 -1.00 0.00 0.00 55.97 55.08 2ka9 s LYS 151 Cb -0.41 -3.06 -0.04 0.00 -2.06 0.00 0.00 37.83 32.26 2ka9 s LYS 151 CO 0.33 -0.08 0.06 0.96 0.10 0.00 0.00 175.35 176.71 2ka9 s ILE 152 N 1.23 4.76 -2.67 3.79 -5.25 0.16 0.09 121.20 123.31 2ka9 s ILE 152 Ca 0.03 -0.05 0.22 0.00 -0.99 0.00 0.00 60.65 59.87 2ka9 s ILE 152 Cb -0.15 -3.14 0.15 0.00 2.95 0.00 0.00 42.46 42.28 2ka9 s ILE 152 CO 0.00 0.46 1.18 0.00 -1.79 0.00 0.00 174.94 174.80 2ka9 n LEU 153 N 3.52 2.74 -3.60 0.37 -0.00 0.33 -3.11 117.00 117.25 2ka9 n LEU 153 Ca -0.17 -0.97 0.01 0.00 -0.00 0.00 0.00 56.01 54.88 2ka9 n LEU 153 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.93 2ka9 n LEU 153 CO 0.35 0.47 1.21 0.00 -0.00 0.00 0.00 177.39 179.42 2ka9 s ALA 154 N -1.90 -2.37 -0.37 1.47 0.00 -1.23 -4.65 121.76 112.72 2ka9 s ALA 154 Ca 0.25 1.47 -0.00 0.00 0.00 0.00 0.00 51.96 53.68 2ka9 s ALA 154 Cb 0.18 -0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.29 2ka9 s ALA 154 CO 0.30 -0.79 0.11 0.08 0.00 0.00 0.00 175.76 175.47 2ka9 s VAL 155 N -2.01 2.86 0.00 0.00 1.01 0.20 0.08 120.40 122.53 2ka9 s VAL 155 Ca 0.13 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.05 2ka9 s VAL 155 Cb 0.03 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.45 2ka9 s VAL 155 CO -0.04 -0.57 0.00 0.59 0.00 0.00 0.00 175.10 175.08 2ka9 n ASN 156 N 4.47 0.00 -0.45 3.32 3.02 0.39 -1.61 115.26 124.40 2ka9 n ASN 156 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.52 2ka9 n ASN 156 Cb 0.42 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 2ka9 n ASN 156 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ka9 n SER 157 N 2.05 -0.13 -4.47 6.41 7.64 -1.26 -4.92 113.62 118.94 2ka9 n SER 157 Ca 0.00 -0.86 -0.31 0.00 1.01 0.00 0.00 58.87 58.71 2ka9 n SER 157 Cb 0.00 0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2ka9 s VAL 158 N 0.00 2.92 -1.00 0.44 1.01 -0.63 -5.06 120.40 118.08 2ka9 s VAL 158 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 2ka9 s VAL 158 Cb 0.00 -2.22 0.29 0.00 0.00 0.00 0.00 36.38 34.45 2ka9 s VAL 158 CO 0.00 0.37 1.30 0.61 0.00 0.00 0.00 175.10 177.38 2ka9 n GLY 159 N 1.64 5.00 1.75 4.51 0.00 -1.26 -0.63 105.19 116.20 2ka9 n GLY 159 Ca -0.16 -2.68 -0.15 0.00 0.00 0.00 0.00 46.02 43.03 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 1.37 5.33 -3.25 0.99 -0.00 -1.26 -4.48 117.00 115.70 2ka9 n LEU 160 Ca 0.26 -2.81 -0.25 0.00 -0.00 0.00 0.00 56.01 53.21 2ka9 n LEU 160 Cb 0.35 -0.72 -0.07 0.00 -0.00 0.00 0.00 43.42 42.98 2ka9 n LEU 160 CO 0.64 0.86 -0.05 -1.84 -0.00 0.00 0.00 177.39 176.99 2ka9 n GLU 161 N -0.46 1.96 -0.55 1.47 -0.00 -1.26 -3.94 120.64 117.87 2ka9 n GLU 161 Ca 0.36 -4.15 -0.01 0.00 -0.00 0.00 0.00 57.16 53.36 2ka9 n GLU 161 Cb 1.17 -1.90 -0.01 0.00 -0.00 0.00 0.00 31.44 30.70 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2ka9 n ASP 162 N 0.77 -0.14 0.00 -1.84 5.75 -1.26 -4.40 116.55 115.43 2ka9 n ASP 162 Ca 0.27 -0.29 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 2ka9 n ASP 162 Cb 0.47 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2ka9 n VAL 163 N 0.00 0.00 -3.65 2.12 0.31 -1.26 -5.00 118.33 110.84 2ka9 n VAL 163 Ca -0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2ka9 n VAL 163 Cb 0.30 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 -1.74 0.06 0.12 5.55 2.81 -1.26 -4.10 117.12 118.57 2ka9 n MET 164 Ca 0.00 -0.16 -0.02 0.00 -1.81 0.00 0.00 57.70 55.70 2ka9 n MET 164 Cb 0.00 0.24 0.13 0.00 -0.71 0.00 0.00 33.22 32.88 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 1.14 0.03 -0.04 2.03 2.07 -1.32 -2.79 115.15 116.28 2ka9 h HIS 165 Ca -0.03 -0.01 -0.07 0.00 -2.85 0.00 0.00 60.37 57.40 2ka9 h HIS 165 Cb 0.17 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.14 2ka9 h HIS 165 CO 0.00 0.68 -0.25 0.93 -3.07 0.00 0.00 177.93 176.22 2ka9 h GLU 166 N 0.02 0.24 -0.47 5.12 5.08 -1.93 -1.40 114.58 121.24 2ka9 h GLU 166 Ca -0.01 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 2ka9 h GLU 166 Cb 1.18 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2ka9 h GLU 166 CO 0.09 0.87 0.01 0.22 -1.00 0.00 0.00 179.01 179.19 2ka9 h ASP 167 N -0.31 0.80 0.06 1.42 1.82 -1.94 0.40 116.42 118.66 2ka9 h ASP 167 Ca -0.02 -0.30 -0.14 0.00 -0.39 0.00 0.00 57.03 56.18 2ka9 h ASP 167 Cb 0.92 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 2ka9 h ASP 167 CO 0.05 0.90 -0.48 0.00 -1.61 0.00 0.00 179.24 178.10 2ka9 h ALA 168 N 0.92 0.82 -0.12 -0.78 0.00 -1.60 0.62 119.26 119.13 2ka9 h ALA 168 Ca 0.13 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 2ka9 h ALA 168 Cb 0.49 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ka9 h ALA 168 CO 0.02 0.66 -0.82 0.28 0.00 0.00 0.00 179.25 179.40 2ka9 h VAL 169 N 0.39 1.28 -0.12 0.00 2.07 -1.06 -1.55 116.25 117.27 2ka9 h VAL 169 Ca 0.02 -2.02 -0.16 0.00 0.82 0.00 0.00 66.70 65.36 2ka9 h VAL 169 Cb 0.99 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2ka9 h VAL 169 CO 0.09 0.64 -0.60 0.00 0.02 0.00 0.00 177.57 177.71 2ka9 h ALA 170 N 0.51 0.75 0.00 1.67 0.00 -0.15 -0.10 119.26 121.94 2ka9 h ALA 170 Ca -0.07 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.13 2ka9 h ALA 170 Cb 1.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2ka9 h ALA 170 CO 0.17 0.72 -0.79 0.00 0.00 0.00 0.00 179.25 179.34 2ka9 h ALA 171 N 1.06 0.69 0.17 0.00 0.00 -0.89 -0.62 119.26 119.67 2ka9 h ALA 171 Ca -0.01 -0.72 -0.31 0.00 0.00 0.00 0.00 54.91 53.87 2ka9 h ALA 171 Cb 1.13 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2ka9 h ALA 171 CO 0.10 0.99 -1.47 1.37 0.00 0.00 0.00 179.25 180.23 2ka9 h LEU 172 N 0.00 0.56 -0.58 0.00 8.10 -1.21 -3.28 115.31 118.90 2ka9 h LEU 172 Ca -0.01 -0.68 -0.10 0.00 0.11 0.00 0.00 57.88 57.20 2ka9 h LEU 172 Cb 1.40 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.42 2ka9 h LEU 172 CO 0.10 1.55 -0.49 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 -1.05 -2.86 116.57 118.02 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 2.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.39 2ka9 h LYS 173 CO 0.21 0.49 0.00 0.09 -2.09 0.00 0.00 179.45 178.15 2ka9 n ASN 174 N -3.45 0.22 -3.23 7.07 3.02 -0.24 -4.80 115.26 113.86 2ka9 n ASN 174 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2ka9 n ASN 174 Cb 0.62 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.74 0.00 -4.07 3.41 -2.24 -1.08 -5.05 114.28 103.51 2ka9 n THR 175 Ca 0.04 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.57 2ka9 n THR 175 Cb 0.23 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.69 2.39 -0.06 4.78 5.04 -1.26 -5.00 117.35 122.56 2ka9 s TYR 176 Ca 0.00 -0.65 0.19 0.00 -2.44 0.00 0.00 57.07 54.17 2ka9 s TYR 176 Cb 0.00 -1.95 1.03 0.00 0.35 0.00 0.00 41.96 41.39 2ka9 s TYR 176 CO 0.00 0.03 1.54 -0.44 -1.34 0.00 0.00 175.55 175.34 2ka9 h ASP 177 N 1.25 0.00 -2.01 4.32 3.32 -1.92 -3.32 116.42 118.06 2ka9 h ASP 177 Ca -0.42 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.27 2ka9 h ASP 177 Cb 1.27 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.50 2ka9 h ASP 177 CO 0.67 0.00 -0.68 -0.69 -1.72 0.00 0.00 179.24 176.82 2ka9 s VAL 178 N -3.49 -0.34 0.08 -1.35 1.01 -1.26 0.93 120.40 115.98 2ka9 s VAL 178 Ca -0.02 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2ka9 s VAL 178 Cb 0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2ka9 s VAL 178 CO 0.17 -0.56 -0.20 0.68 0.00 0.00 0.00 175.10 175.19 2ka9 s VAL 179 N 1.67 1.66 -0.11 2.92 -7.23 -0.72 -4.97 120.40 113.62 2ka9 s VAL 179 Ca 0.15 -1.40 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 2ka9 s VAL 179 Cb -0.15 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 2ka9 s VAL 179 CO -0.11 0.02 0.25 -0.31 -0.31 0.00 0.00 175.10 174.64 2ka9 s TYR 180 N -1.04 3.57 0.09 2.82 1.51 -1.26 -0.13 117.35 122.92 2ka9 s TYR 180 Ca 0.06 0.64 0.07 0.00 -1.01 0.00 0.00 57.07 56.84 2ka9 s TYR 180 Cb -0.10 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 2ka9 s TYR 180 CO 0.03 0.52 -0.13 -0.51 -1.11 0.00 0.00 175.55 174.35 2ka9 s LEU 181 N -0.45 2.90 -0.35 -1.29 1.43 0.24 0.15 118.68 121.30 2ka9 s LEU 181 Ca 0.17 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 2ka9 s LEU 181 Cb -0.13 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2ka9 s LEU 181 CO 0.06 0.20 0.38 -0.54 0.23 0.00 0.00 176.35 176.68 2ka9 s LYS 182 N -2.01 3.50 0.25 1.70 1.02 0.11 -1.45 119.74 122.86 2ka9 s LYS 182 Ca 0.19 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 55.79 2ka9 s LYS 182 Cb -0.11 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 2ka9 s LYS 182 CO 0.11 -0.58 0.31 0.08 -0.92 0.00 0.00 175.35 174.35 2ka9 s VAL 183 N 2.06 4.95 0.05 3.17 1.01 -0.77 -0.51 120.40 130.36 2ka9 s VAL 183 Ca 0.12 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.04 2ka9 s VAL 183 Cb -0.17 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2ka9 s VAL 183 CO 0.12 -0.33 -0.19 0.00 0.00 0.00 0.00 175.10 174.70 2ka9 s ALA 184 N -2.04 2.58 -0.16 5.51 0.00 0.11 0.99 121.76 128.76 2ka9 s ALA 184 Ca 0.34 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 2ka9 s ALA 184 Cb -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2ka9 s ALA 184 CO 0.28 0.57 0.07 0.15 0.00 0.00 0.00 175.76 176.82 2ka9 s LYS 185 N -1.54 3.75 -1.07 0.00 1.02 0.45 -4.48 119.74 117.87 2ka9 s LYS 185 Ca 0.15 -0.32 -0.26 0.00 0.02 0.00 0.00 55.97 55.56 2ka9 s LYS 185 Cb -0.10 -3.15 -0.21 0.00 -0.52 0.00 0.00 37.83 33.85 2ka9 s LYS 185 CO 0.06 0.42 2.13 -2.14 -0.92 0.00 0.00 175.35 174.90 2ka9 s PRO 186 N -0.05 1.27 3.00 -1.68 0.02 -1.26 -3.76 135.00 132.54 2ka9 s PRO 186 Ca 0.07 -0.40 0.00 0.00 0.02 0.00 0.00 61.00 60.69 2ka9 s PRO 186 Cb -0.12 -4.98 0.00 0.00 0.02 0.00 0.00 34.50 29.42 2ka9 s PRO 186 CO 0.01 -5.36 0.00 0.43 -0.33 0.00 0.00 177.00 171.75 2ka9 n SER 187 N 19.38 -1.77 -3.74 2.53 7.64 -1.26 -3.74 113.62 132.66 2ka9 n SER 187 Ca 0.42 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.90 2ka9 n SER 187 Cb 0.47 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 2ka9 n SER 187 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2ka9 n ASN 188 N -3.10 1.69 0.00 6.43 0.23 -1.26 -3.54 115.26 115.71 2ka9 n ASN 188 Ca 0.00 -2.57 0.00 0.00 -0.53 0.00 0.00 54.58 51.48 2ka9 n ASN 188 Cb 0.00 -0.92 0.00 0.00 -2.08 0.00 0.00 39.78 36.78 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33