#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 2.48 -0.08 0.03 -6.30 0.32 -4.77 118.70 110.38 2ka9 s GLU 2 Ca 0.00 -0.79 -0.08 0.00 -2.50 0.00 0.00 54.97 51.60 2ka9 s GLU 2 Cb 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 34.13 31.67 2ka9 s GLU 2 CO 0.00 0.58 0.22 0.71 0.02 0.00 0.00 175.26 176.79 2ka9 s TYR 3 N -1.08 -0.22 -0.08 5.30 2.02 -1.26 0.10 117.35 122.14 2ka9 s TYR 3 Ca 0.19 0.54 -0.32 0.00 -0.37 0.00 0.00 57.07 57.11 2ka9 s TYR 3 Cb -0.11 0.07 0.13 0.00 -0.40 0.00 0.00 41.96 41.65 2ka9 s TYR 3 CO 0.10 -0.14 1.24 -1.83 -1.57 0.00 0.00 175.55 173.35 2ka9 s GLU 4 N -0.05 0.39 -0.21 -0.62 -1.05 -0.88 -5.00 118.70 111.28 2ka9 s GLU 4 Ca -0.02 -0.19 -0.05 0.00 -0.15 0.00 0.00 54.97 54.56 2ka9 s GLU 4 Cb -0.02 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.80 2ka9 s GLU 4 CO 0.01 -0.18 -0.01 -1.83 0.95 0.00 0.00 175.26 174.20 2ka9 s GLU 5 N -2.46 3.55 0.11 -4.83 -1.05 -1.26 -1.44 118.70 111.32 2ka9 s GLU 5 Ca 0.12 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 2ka9 s GLU 5 Cb 0.02 -3.06 -0.00 0.00 -0.44 0.00 0.00 34.13 30.65 2ka9 s GLU 5 CO -0.04 -0.04 0.01 0.44 0.95 0.00 0.00 175.26 176.58 2ka9 n ILE 6 N 4.39 0.00 -3.75 1.83 -0.00 -0.01 -4.92 119.36 116.90 2ka9 n ILE 6 Ca -0.17 -0.55 -0.16 0.00 -0.00 0.00 0.00 62.75 61.87 2ka9 n ILE 6 Cb 0.52 0.14 -0.16 0.00 -0.00 0.00 0.00 39.64 40.13 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 -1.58 -0.07 -0.51 7.28 -4.23 -1.25 -1.37 115.64 113.90 2ka9 s THR 7 Ca 0.02 0.26 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2ka9 s THR 7 Cb 0.00 -0.11 0.13 0.00 1.34 0.00 0.00 72.50 73.86 2ka9 s THR 7 CO 0.01 0.11 0.25 -0.22 -0.54 0.00 0.00 174.62 174.23 2ka9 s LEU 8 N 1.32 4.48 0.26 4.79 2.96 0.43 -4.89 118.68 128.02 2ka9 s LEU 8 Ca -0.06 -2.88 -0.30 0.00 -0.22 0.00 0.00 54.13 50.67 2ka9 s LEU 8 Cb -0.13 -1.67 -0.09 0.00 0.50 0.00 0.00 46.19 44.81 2ka9 s LEU 8 CO -0.03 -0.27 1.13 -1.83 -1.32 0.00 0.00 176.35 174.02 2ka9 s GLU 9 N -0.11 4.60 -0.43 1.98 1.03 -1.26 -2.49 118.70 122.03 2ka9 s GLU 9 Ca 0.16 1.83 -0.28 0.00 0.03 0.00 0.00 54.97 56.71 2ka9 s GLU 9 Cb -0.24 -3.20 -0.08 0.00 -0.80 0.00 0.00 34.13 29.81 2ka9 s GLU 9 CO -0.01 0.13 2.36 2.89 -1.33 0.00 0.00 175.26 179.30 2ka9 n ARG 10 N 1.48 1.24 -0.08 -4.83 1.85 0.50 -4.68 116.66 112.15 2ka9 n ARG 10 Ca 0.00 0.18 0.26 0.00 -1.00 0.00 0.00 57.85 57.29 2ka9 n ARG 10 Cb 0.45 -3.18 0.69 0.00 -1.05 0.00 0.00 32.46 29.37 2ka9 n ARG 10 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2ka9 h GLY 11 N 17.19 0.00 0.00 2.89 0.00 -1.86 -3.43 103.07 117.86 2ka9 h GLY 11 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2ka9 h GLY 11 CO 1.10 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.63 2ka9 n ASN 12 N -3.77 0.00 -1.53 0.19 4.05 -1.26 -4.96 115.26 107.97 2ka9 n ASN 12 Ca 0.15 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 55.06 2ka9 n ASN 12 Cb 0.95 0.00 0.18 0.00 1.23 0.00 0.00 39.78 42.15 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2ka9 n SER 13 N -0.37 3.08 0.00 1.20 7.64 -1.26 -5.04 113.62 118.87 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka9 n GLY 14 N -1.11 1.66 0.08 0.23 0.00 -1.26 -4.99 105.19 99.79 2ka9 n GLY 14 Ca 0.42 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 -0.57 0.99 4.07 -1.91 -3.08 115.31 114.81 2ka9 h LEU 15 Ca 0.00 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.21 2ka9 h LEU 15 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 15 CO 0.00 1.19 0.00 0.61 -1.08 0.00 0.00 178.44 179.16 2ka9 n GLY 16 N 1.54 0.53 3.50 0.83 0.00 -1.26 -0.44 105.19 109.89 2ka9 n GLY 16 Ca -0.19 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.26 -0.45 -0.20 1.61 -0.12 -1.26 -2.50 117.98 113.80 2ka9 s PHE 17 Ca 0.00 0.47 -0.06 0.00 -0.05 0.00 0.00 56.93 57.29 2ka9 s PHE 17 Cb 0.00 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 2ka9 s PHE 17 CO 0.00 -0.59 0.04 -1.54 -0.05 0.00 0.00 175.22 173.08 2ka9 s SER 18 N -2.07 5.25 0.19 1.98 1.04 -0.07 -4.97 113.70 115.04 2ka9 s SER 18 Ca 0.00 -0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.48 2ka9 s SER 18 Cb -0.01 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.17 2ka9 s SER 18 CO -0.05 0.11 -0.23 0.27 0.98 0.00 0.00 173.24 174.32 2ka9 s ILE 19 N 0.76 2.31 -0.23 -1.02 -5.25 -1.26 -0.73 121.20 115.78 2ka9 s ILE 19 Ca 0.02 -2.04 -0.29 0.00 -0.99 0.00 0.00 60.65 57.36 2ka9 s ILE 19 Cb -0.14 -2.11 0.15 0.00 2.95 0.00 0.00 42.46 43.32 2ka9 s ILE 19 CO 0.02 -0.14 1.17 0.00 -1.79 0.00 0.00 174.94 174.19 2ka9 s ALA 20 N -1.73 -2.03 0.00 2.27 0.00 0.35 -4.91 121.76 115.70 2ka9 s ALA 20 Ca 0.21 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2ka9 s ALA 20 Cb -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2ka9 s ALA 20 CO 0.10 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2ka9 n GLY 21 N 0.96 0.93 3.15 0.00 0.00 -1.26 0.11 105.19 109.09 2ka9 n GLY 21 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.35 0.29 -0.02 0.00 -1.24 -1.73 105.19 99.14 2ka9 n GLY 22 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.30 1.26 0.02 2.61 1.03 -1.41 -2.67 112.91 112.45 2ka9 h THR 23 Ca -0.44 -1.21 -0.11 0.00 -0.01 0.00 0.00 66.41 64.64 2ka9 h THR 23 Cb 1.32 0.96 -0.01 0.00 -1.07 0.00 0.00 68.15 69.35 2ka9 h THR 23 CO 0.28 0.42 -0.58 -0.78 -0.01 0.00 0.00 175.52 174.85 2ka9 h ASP 24 N 0.84 0.06 -2.87 0.00 1.82 -1.90 -3.42 116.42 110.95 2ka9 h ASP 24 Ca 0.14 -0.82 -0.64 0.00 -0.39 0.00 0.00 57.03 55.32 2ka9 h ASP 24 Cb 0.62 -0.02 -0.40 0.00 0.68 0.00 0.00 39.33 40.21 2ka9 h ASP 24 CO 0.04 1.24 -0.44 0.59 -1.61 0.00 0.00 179.24 179.05 2ka9 n ASN 25 N -4.47 3.57 -3.99 2.28 4.13 -1.25 -5.08 115.26 110.45 2ka9 n ASN 25 Ca -0.19 -3.28 -0.28 0.00 1.68 0.00 0.00 54.58 52.51 2ka9 n ASN 25 Cb 0.60 -0.80 0.11 0.00 -1.54 0.00 0.00 39.78 38.15 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 1.67 -1.12 -0.01 3.52 -0.02 -1.01 -3.70 135.00 134.33 2ka9 n PRO 26 Ca 0.23 -0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.43 2ka9 n PRO 26 Cb 0.37 -1.36 -0.09 0.00 -0.02 0.00 0.00 33.50 32.39 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 -4.01 0.00 -0.04 6.00 -0.00 -1.26 -4.55 115.22 111.35 2ka9 n HIS 27 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2ka9 n HIS 27 Cb 0.55 -0.32 -0.13 0.00 -0.12 0.00 0.00 29.99 29.98 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 -2.00 0.55 -0.13 3.57 -5.35 -1.26 -4.95 119.36 109.79 2ka9 n ILE 28 Ca -0.05 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 2ka9 n ILE 28 Cb 0.40 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 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 1.81 1.78 0.00 3.28 0.00 -1.26 -4.96 105.19 105.84 2ka9 n GLY 29 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2ka9 n GLY 29 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ka9 n ASP 30 N 0.14 0.00 -3.31 1.61 5.68 -1.26 -5.07 116.55 114.34 2ka9 n ASP 30 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.20 2ka9 n ASP 30 Cb 0.03 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.95 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2ka9 s ASP 31 N 0.00 0.35 -0.89 -1.12 -1.08 -1.26 -5.05 116.67 107.62 2ka9 s ASP 31 Ca 0.00 -0.29 -0.08 0.00 -0.52 0.00 0.00 52.55 51.65 2ka9 s ASP 31 Cb 0.00 1.12 -0.07 0.00 -1.46 0.00 0.00 42.92 42.51 2ka9 s ASP 31 CO 0.00 -0.35 2.07 -2.65 0.52 0.00 0.00 175.17 174.76 2ka9 n PRO 32 N 5.36 1.98 -3.65 4.34 -0.02 -1.26 -4.68 135.00 137.07 2ka9 n PRO 32 Ca 0.00 -1.53 -0.01 0.00 -2.02 0.00 0.00 63.50 59.94 2ka9 n PRO 32 Cb 0.49 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 2ka9 n PRO 32 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2ka9 s SER 33 N 3.69 -0.13 0.35 2.55 0.01 -1.07 -3.99 113.70 115.11 2ka9 s SER 33 Ca 0.42 0.23 -0.25 0.00 1.31 0.00 0.00 55.95 57.66 2ka9 s SER 33 Cb 0.11 0.68 -0.10 0.00 0.21 0.00 0.00 66.02 66.92 2ka9 s SER 33 CO -0.01 -0.04 0.98 -0.63 0.41 0.00 0.00 173.24 173.96 2ka9 s ILE 34 N 0.62 4.05 0.12 1.44 1.09 -0.70 -4.41 121.20 123.40 2ka9 s ILE 34 Ca -0.01 1.64 -0.03 0.00 -1.10 0.00 0.00 60.65 61.14 2ka9 s ILE 34 Cb -0.04 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.46 2ka9 s ILE 34 CO -0.12 0.08 0.10 0.72 -0.10 0.00 0.00 174.94 175.61 2ka9 s PHE 35 N -1.65 0.62 0.15 3.97 -0.71 0.30 -4.00 117.98 116.66 2ka9 s PHE 35 Ca 0.53 -1.04 -0.07 0.00 -1.04 0.00 0.00 56.93 55.31 2ka9 s PHE 35 Cb -0.19 -0.33 -0.06 0.00 -1.21 0.00 0.00 43.02 41.22 2ka9 s PHE 35 CO 0.25 -0.53 0.43 0.42 -1.34 0.00 0.00 175.22 174.44 2ka9 s ILE 36 N -3.99 5.09 -0.14 -4.49 1.01 0.22 0.13 121.20 119.03 2ka9 s ILE 36 Ca 0.17 0.26 0.10 0.00 0.00 0.00 0.00 60.65 61.18 2ka9 s ILE 36 Cb 0.06 -3.63 -0.16 0.00 0.01 0.00 0.00 42.46 38.75 2ka9 s ILE 36 CO -0.02 0.08 0.01 0.35 0.00 0.00 0.00 174.94 175.36 2ka9 n THR 37 N 0.25 0.94 -3.61 2.92 -2.24 0.09 -2.43 114.28 110.20 2ka9 n THR 37 Ca -0.03 -0.54 -0.07 0.00 -2.27 0.00 0.00 64.05 61.14 2ka9 n THR 37 Cb 0.52 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 2ka9 n THR 37 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ka9 s LYS 38 N -2.33 0.38 -0.06 -0.78 2.36 -1.25 -4.83 119.74 113.23 2ka9 s LYS 38 Ca -0.10 0.15 -0.01 0.00 -2.55 0.00 0.00 55.97 53.47 2ka9 s LYS 38 Cb 0.04 0.18 -0.03 0.00 -1.05 0.00 0.00 37.83 36.97 2ka9 s LYS 38 CO 0.53 -0.11 0.01 0.42 1.55 0.00 0.00 175.35 177.75 2ka9 s ILE 39 N -0.83 4.31 -0.08 5.43 1.01 -1.26 -0.90 121.20 128.88 2ka9 s ILE 39 Ca 0.03 -0.35 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 2ka9 s ILE 39 Cb -0.02 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2ka9 s ILE 39 CO -0.04 0.53 0.82 -0.63 0.00 0.00 0.00 174.94 175.62 2ka9 s ILE 40 N -0.96 4.95 -0.89 2.92 1.01 -1.04 -4.94 121.20 122.24 2ka9 s ILE 40 Ca 0.16 1.68 -0.09 0.00 0.00 0.00 0.00 60.65 62.39 2ka9 s ILE 40 Cb -0.11 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 2ka9 s ILE 40 CO 0.05 0.16 2.07 -0.81 0.00 0.00 0.00 174.94 176.41 2ka9 n PRO 41 N 4.26 1.97 0.00 2.79 -0.04 -1.26 -3.12 135.00 139.60 2ka9 n PRO 41 Ca 0.03 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 2ka9 n PRO 41 Cb 0.50 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 3.92 -0.03 2.61 0.55 0.00 -1.26 -5.09 105.19 105.90 2ka9 n GLY 42 Ca 0.45 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.42 -2.59 0.23 -0.02 0.00 -1.18 -4.91 105.19 95.30 2ka9 n GLY 43 Ca 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.49 0.96 0.69 4.61 0.00 -0.91 -3.14 119.26 118.97 2ka9 h ALA 44 Ca -0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2ka9 h ALA 44 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ka9 h ALA 44 CO 0.20 0.13 -0.38 0.00 0.00 0.00 0.00 179.25 179.20 2ka9 h ALA 45 N 1.90 -1.00 0.00 0.00 0.00 -1.35 0.70 119.26 119.50 2ka9 h ALA 45 Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2ka9 h ALA 45 Cb 0.87 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2ka9 h ALA 45 CO 0.01 -1.07 -0.29 0.00 0.00 0.00 0.00 179.25 177.90 2ka9 h ALA 46 N -0.72 1.34 -0.15 0.00 0.00 -1.75 0.86 119.26 118.84 2ka9 h ALA 46 Ca -0.09 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 2ka9 h ALA 46 Cb 0.78 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2ka9 h ALA 46 CO 0.12 0.37 -0.63 0.37 0.00 0.00 0.00 179.25 179.47 2ka9 h GLN 47 N 0.00 0.53 0.00 0.00 5.75 -1.42 -3.10 115.11 116.86 2ka9 h GLN 47 Ca -0.00 -0.38 -0.16 0.00 -0.15 0.00 0.00 58.65 57.96 2ka9 h GLN 47 Cb 0.58 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 2ka9 h GLN 47 CO 0.04 0.99 -1.19 -0.44 -2.65 0.00 0.00 178.83 175.58 2ka9 h ASP 48 N 0.39 0.00 -6.53 -0.69 3.32 0.91 -3.48 116.42 110.34 2ka9 h ASP 48 Ca -0.01 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.78 2ka9 h ASP 48 Cb 1.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 2ka9 h ASP 48 CO 0.12 0.60 -0.42 0.61 -1.72 0.00 0.00 179.24 178.42 2ka9 n GLY 49 N 1.36 -0.19 0.24 2.75 0.00 0.30 -4.75 105.19 104.90 2ka9 n GLY 49 Ca -0.07 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.61 1.32 -3.57 1.61 3.00 -1.26 -4.94 116.66 110.21 2ka9 n ARG 50 Ca -0.10 -0.48 0.03 0.00 -0.01 0.00 0.00 57.85 57.29 2ka9 n ARG 50 Cb 0.27 -1.31 0.01 0.00 0.00 0.00 0.00 32.46 31.43 2ka9 n ARG 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2ka9 n LEU 51 N -0.29 0.00 -4.98 0.55 -0.00 -1.26 -4.99 117.00 106.04 2ka9 n LEU 51 Ca 0.14 -0.23 -0.19 0.00 -0.00 0.00 0.00 56.01 55.73 2ka9 n LEU 51 Cb 0.17 1.40 -0.01 0.00 -0.00 0.00 0.00 43.42 44.98 2ka9 n LEU 51 CO 0.11 -0.08 0.05 -0.13 -0.00 0.00 0.00 177.39 177.34 2ka9 s ARG 52 N -2.01 3.09 0.04 1.47 1.81 -1.26 -5.04 118.95 117.04 2ka9 s ARG 52 Ca 0.25 -1.04 -0.20 0.00 -1.72 0.00 0.00 55.73 53.02 2ka9 s ARG 52 Cb -0.00 -2.79 -0.15 0.00 -0.45 0.00 0.00 34.95 31.55 2ka9 s ARG 52 CO -0.01 0.07 1.30 -0.39 -0.68 0.00 0.00 175.30 175.58 2ka9 h VAL 53 N 0.93 1.37 0.00 3.52 -1.51 -1.90 -3.15 116.25 115.50 2ka9 h VAL 53 Ca -0.46 -1.49 0.00 0.00 -1.23 0.00 0.00 66.70 63.52 2ka9 h VAL 53 Cb 1.26 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 32.42 2ka9 h VAL 53 CO 0.53 0.44 0.00 -0.46 -1.23 0.00 0.00 177.57 176.85 2ka9 n ASN 54 N -4.46 0.48 -2.63 4.19 6.94 -1.02 0.71 115.26 119.48 2ka9 n ASN 54 Ca -0.07 -1.27 0.00 0.00 -0.02 0.00 0.00 54.58 53.22 2ka9 n ASN 54 Cb 0.43 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 2ka9 n ASN 54 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2ka9 n ASP 55 N 0.02 -0.28 -3.38 0.53 5.75 -1.19 -4.88 116.55 113.12 2ka9 n ASP 55 Ca 0.00 -0.47 -0.15 0.00 -0.01 0.00 0.00 54.79 54.16 2ka9 n ASP 55 Cb 0.12 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.12 2ka9 n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2ka9 s SER 56 N -1.23 1.38 -0.63 -1.12 0.01 -0.70 -4.35 113.70 107.05 2ka9 s SER 56 Ca 0.00 -0.67 -0.26 0.00 1.31 0.00 0.00 55.95 56.33 2ka9 s SER 56 Cb 0.00 0.65 -0.10 0.00 0.21 0.00 0.00 66.02 66.78 2ka9 s SER 56 CO 0.00 -0.38 2.38 0.27 0.41 0.00 0.00 173.24 175.91 2ka9 s ILE 57 N 2.40 3.03 0.20 1.44 -0.00 -1.26 -1.82 121.20 125.20 2ka9 s ILE 57 Ca 0.09 -0.00 0.21 0.00 -0.00 0.00 0.00 60.65 60.95 2ka9 s ILE 57 Cb -0.14 -3.08 0.17 0.00 -0.00 0.00 0.00 42.46 39.41 2ka9 s ILE 57 CO -0.32 -0.08 1.80 0.17 -0.00 0.00 0.00 174.94 176.50 2ka9 h LEU 58 N 20.70 0.00 -7.14 0.37 8.10 -1.46 -3.39 115.31 132.49 2ka9 h LEU 58 Ca -0.13 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.79 2ka9 h LEU 58 Cb 1.15 0.00 -0.25 0.00 -0.44 0.00 0.00 40.66 41.12 2ka9 h LEU 58 CO 1.10 0.31 -0.19 0.12 -4.11 0.00 0.00 178.44 175.67 2ka9 s PHE 59 N -3.72 -0.77 0.02 0.17 5.36 0.00 -3.84 117.98 115.20 2ka9 s PHE 59 Ca -0.00 1.59 0.01 0.00 -0.96 0.00 0.00 56.93 57.58 2ka9 s PHE 59 Cb 0.11 0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 43.18 2ka9 s PHE 59 CO 0.67 -0.41 -0.05 0.08 -1.46 0.00 0.00 175.22 174.04 2ka9 s VAL 60 N 1.51 0.37 -0.60 3.12 1.01 -1.07 0.13 120.40 124.86 2ka9 s VAL 60 Ca -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 2ka9 s VAL 60 Cb -0.07 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 35.96 2ka9 s VAL 60 CO -0.15 -0.21 0.16 0.59 0.00 0.00 0.00 175.10 175.49 2ka9 n ASN 61 N 2.12 -1.75 -1.99 3.32 5.03 -0.97 0.21 115.26 121.22 2ka9 n ASN 61 Ca -0.19 0.05 -0.16 0.00 0.87 0.00 0.00 54.58 55.16 2ka9 n ASN 61 Cb 0.56 -1.58 0.01 0.00 -1.02 0.00 0.00 39.78 37.76 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2ka9 n GLU 62 N -2.95 -2.43 -5.07 3.52 0.00 -1.26 -5.01 120.64 107.44 2ka9 n GLU 62 Ca 0.01 0.69 -0.30 0.00 0.00 0.00 0.00 57.16 57.56 2ka9 n GLU 62 Cb 0.51 -5.03 -0.15 0.00 0.00 0.00 0.00 31.44 26.76 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2ka9 s VAL 63 N -2.88 1.98 -1.30 6.31 1.01 0.56 -5.05 120.40 121.02 2ka9 s VAL 63 Ca 0.11 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 2ka9 s VAL 63 Cb -0.05 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.70 2ka9 s VAL 63 CO 0.14 0.46 1.85 0.47 0.00 0.00 0.00 175.10 178.01 2ka9 n ASP 64 N 2.19 4.47 -2.20 3.32 9.92 -1.26 -2.60 116.55 130.39 2ka9 n ASP 64 Ca -0.16 -2.87 -0.26 0.00 -0.53 0.00 0.00 54.79 50.97 2ka9 n ASP 64 Cb 0.52 -1.72 0.14 0.00 -0.64 0.00 0.00 41.12 39.42 2ka9 n ASP 64 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2ka9 n VAL 65 N 6.36 3.23 1.68 2.53 0.24 -1.26 -4.42 118.33 126.69 2ka9 n VAL 65 Ca 0.49 -2.12 0.11 0.00 -2.04 0.00 0.00 64.34 60.77 2ka9 n VAL 65 Cb 0.45 -0.72 0.52 0.00 -1.47 0.00 0.00 33.84 32.62 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2ka9 n ARG 66 N -0.96 1.31 -2.51 7.34 1.85 -1.25 -4.14 116.66 118.31 2ka9 n ARG 66 Ca 0.57 -0.47 -0.04 0.00 -1.00 0.00 0.00 57.85 56.92 2ka9 n ARG 66 Cb 1.30 -1.36 0.02 0.00 -1.05 0.00 0.00 32.46 31.37 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 0.43 -5.13 2.89 1.02 -1.26 -4.52 120.64 113.74 2ka9 n GLU 67 Ca 0.16 -0.84 -0.31 0.00 -0.02 0.00 0.00 57.16 56.14 2ka9 n GLU 67 Cb 0.19 0.02 -0.15 0.00 -0.02 0.00 0.00 31.44 31.48 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 0.06 2.29 1.02 2.62 -7.23 -1.26 -4.67 120.40 113.24 2ka9 s VAL 68 Ca 0.07 -1.09 -0.17 0.00 -1.81 0.00 0.00 61.98 58.98 2ka9 s VAL 68 Cb 0.14 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 35.26 2ka9 s VAL 68 CO -0.03 0.53 -0.05 0.41 -0.31 0.00 0.00 175.10 175.65 2ka9 n THR 69 N 2.26 0.00 -0.07 5.32 -1.04 -1.26 -1.30 114.28 118.19 2ka9 n THR 69 Ca -0.16 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.05 61.52 2ka9 n THR 69 Cb 0.51 -0.48 -0.01 0.00 -1.82 0.00 0.00 70.33 68.53 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 -1.62 0.12 -0.92 -1.42 2.76 -1.88 -2.32 115.15 109.88 2ka9 h HIS 70 Ca -0.47 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 57.87 2ka9 h HIS 70 Cb 1.32 -0.02 -0.09 0.00 1.55 0.00 0.00 27.41 30.17 2ka9 h HIS 70 CO 0.25 0.05 0.52 0.77 -1.30 0.00 0.00 177.93 178.23 2ka9 h SER 71 N 0.18 0.69 -0.36 3.26 0.02 -1.99 0.21 113.55 115.56 2ka9 h SER 71 Ca 0.12 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2ka9 h SER 71 Cb 0.10 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2ka9 h SER 71 CO -0.14 0.31 0.17 0.00 -1.14 0.00 0.00 176.83 176.02 2ka9 h ALA 72 N 1.57 1.53 -0.23 3.77 0.00 -1.75 0.17 119.26 124.32 2ka9 h ALA 72 Ca 0.49 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 2ka9 h ALA 72 Cb 0.65 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ka9 h ALA 72 CO -0.34 0.37 -0.57 0.00 0.00 0.00 0.00 179.25 178.71 2ka9 h ALA 73 N 1.61 0.38 -0.43 0.00 0.00 -0.41 -1.53 119.26 118.88 2ka9 h ALA 73 Ca 0.14 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2ka9 h ALA 73 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ka9 h ALA 73 CO -0.01 0.62 0.04 0.28 0.00 0.00 0.00 179.25 180.17 2ka9 h VAL 74 N 0.55 1.22 -0.17 0.00 2.07 -0.23 -1.25 116.25 118.44 2ka9 h VAL 74 Ca -0.01 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 2ka9 h VAL 74 Cb 1.19 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2ka9 h VAL 74 CO 0.12 0.30 -0.42 -0.33 0.02 0.00 0.00 177.57 177.27 2ka9 h GLU 75 N 0.65 0.39 -0.29 1.57 4.39 -0.52 0.49 114.58 121.26 2ka9 h GLU 75 Ca 0.14 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 2ka9 h GLU 75 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2ka9 h GLU 75 CO 0.01 0.75 -0.25 0.00 -1.16 0.00 0.00 179.01 178.35 2ka9 h ALA 76 N 1.23 0.42 0.00 3.43 0.00 -0.62 0.36 119.26 124.08 2ka9 h ALA 76 Ca 0.03 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2ka9 h ALA 76 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2ka9 h ALA 76 CO 0.07 0.40 -0.57 1.37 0.00 0.00 0.00 179.25 180.53 2ka9 h LEU 77 N 0.42 0.00 -0.09 0.00 8.10 -1.17 0.12 115.31 122.70 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 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.04 2ka9 h LEU 77 CO 0.06 0.57 -0.37 0.50 -4.11 0.00 0.00 178.44 175.09 2ka9 h LYS 78 N 0.00 0.40 -0.80 0.17 3.64 0.19 -3.19 116.57 116.98 2ka9 h LYS 78 Ca -0.01 -0.32 -0.39 0.00 -1.27 0.00 0.00 60.65 58.67 2ka9 h LYS 78 Cb 1.28 0.06 -0.23 0.00 -0.41 0.00 0.00 32.23 32.93 2ka9 h LYS 78 CO 0.07 0.95 0.42 0.39 -2.27 0.00 0.00 179.45 179.01 2ka9 n GLU 79 N -4.37 2.41 0.08 1.90 1.02 0.12 -4.42 120.64 117.38 2ka9 n GLU 79 Ca -0.08 -3.06 -0.03 0.00 -0.02 0.00 0.00 57.16 53.97 2ka9 n GLU 79 Cb 0.52 -2.10 -0.07 0.00 -0.02 0.00 0.00 31.44 29.78 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka9 h ALA 80 N 1.28 0.53 0.00 0.62 0.00 -0.73 -3.48 119.26 117.48 2ka9 h ALA 80 Ca 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ka9 h ALA 80 Cb 2.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.24 2ka9 h ALA 80 CO 0.87 1.02 0.00 0.41 0.00 0.00 0.00 179.25 181.55 2ka9 n GLY 81 N 1.32 0.91 0.00 0.00 0.00 -1.26 -4.37 105.19 101.79 2ka9 n GLY 81 Ca -0.01 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2ka9 n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ka9 n SER 82 N 0.00 0.67 -3.29 1.61 3.41 -1.26 -4.90 113.62 109.86 2ka9 n SER 82 Ca 0.00 -1.21 -0.08 0.00 -0.26 0.00 0.00 58.87 57.31 2ka9 n SER 82 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ka9 s ILE 83 N -0.21 -0.64 -0.36 -1.33 1.01 -1.26 -0.37 121.20 118.03 2ka9 s ILE 83 Ca 0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 2ka9 s ILE 83 Cb 0.00 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2ka9 s ILE 83 CO 0.00 -0.29 0.78 0.68 0.00 0.00 0.00 174.94 176.11 2ka9 s VAL 84 N 2.24 4.73 -0.40 2.92 -7.23 -1.04 -4.82 120.40 116.81 2ka9 s VAL 84 Ca 0.12 0.88 -0.14 0.00 -1.81 0.00 0.00 61.98 61.03 2ka9 s VAL 84 Cb -0.12 -4.21 0.02 0.00 0.56 0.00 0.00 36.38 32.63 2ka9 s VAL 84 CO -0.22 -0.44 0.28 -0.60 -0.31 0.00 0.00 175.10 173.82 2ka9 s ARG 85 N 3.10 2.97 0.07 4.82 3.00 -1.26 -0.43 118.95 131.23 2ka9 s ARG 85 Ca 0.31 -1.01 0.02 0.00 -1.00 0.00 0.00 55.73 54.06 2ka9 s ARG 85 Cb -0.13 -3.92 -0.03 0.00 0.00 0.00 0.00 34.95 30.87 2ka9 s ARG 85 CO 0.17 -0.72 -0.08 -0.48 0.00 0.00 0.00 175.30 174.19 2ka9 s LEU 86 N 1.66 2.36 -0.30 -0.88 -0.00 -0.47 -2.30 118.68 118.75 2ka9 s LEU 86 Ca 0.04 -0.74 -0.07 0.00 -0.00 0.00 0.00 54.13 53.36 2ka9 s LEU 86 Cb -0.19 -0.16 0.01 0.00 -0.00 0.00 0.00 46.19 45.85 2ka9 s LEU 86 CO 0.09 -0.30 0.09 -0.47 -0.00 0.00 0.00 176.35 175.77 2ka9 s TYR 87 N -2.28 3.16 0.39 3.48 6.14 0.34 -0.83 117.35 127.73 2ka9 s TYR 87 Ca -0.00 -0.94 0.08 0.00 0.64 0.00 0.00 57.07 56.84 2ka9 s TYR 87 Cb -0.04 -2.27 -0.07 0.00 0.42 0.00 0.00 41.96 40.00 2ka9 s TYR 87 CO -0.01 -0.57 -0.00 0.14 0.64 0.00 0.00 175.55 175.75 2ka9 s VAL 88 N 1.51 2.16 -0.24 3.14 -7.23 -0.52 -0.82 120.40 118.40 2ka9 s VAL 88 Ca 0.03 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2ka9 s VAL 88 Cb -0.17 -2.88 0.06 0.00 0.56 0.00 0.00 36.38 33.95 2ka9 s VAL 88 CO 0.03 -0.08 -0.06 0.00 -0.31 0.00 0.00 175.10 174.68 2ka9 s MET 89 N -3.70 1.74 0.00 4.82 0.23 -0.75 -2.08 119.30 119.56 2ka9 s MET 89 Ca 0.35 -1.10 0.05 0.00 -1.03 0.00 0.00 55.69 53.96 2ka9 s MET 89 Cb 0.06 -2.67 -0.01 0.00 -1.53 0.00 0.00 34.83 30.68 2ka9 s MET 89 CO 0.18 -0.61 -0.14 -0.98 -2.03 0.00 0.00 175.02 171.44 2ka9 s ARG 90 N 1.32 1.11 -0.25 3.16 1.70 0.29 -1.72 118.95 124.55 2ka9 s ARG 90 Ca -0.06 -0.58 -0.29 0.00 -0.47 0.00 0.00 55.73 54.33 2ka9 s ARG 90 Cb -0.19 -1.09 -0.02 0.00 -0.57 0.00 0.00 34.95 33.08 2ka9 s ARG 90 CO -0.06 0.29 1.52 1.03 -1.08 0.00 0.00 175.30 177.00 2ka9 s ARG 91 N -0.55 3.80 -0.31 3.89 0.52 -1.26 0.12 118.95 125.16 2ka9 s ARG 91 Ca 0.05 1.50 -0.29 0.00 -0.52 0.00 0.00 55.73 56.47 2ka9 s ARG 91 Cb -0.06 -4.00 -0.02 0.00 0.52 0.00 0.00 34.95 31.40 2ka9 s ARG 91 CO -0.00 -1.28 1.66 0.21 0.02 0.00 0.00 175.30 175.92 2ka9 s LYS 92 N 4.57 3.54 -0.09 3.54 2.20 -1.26 -4.82 119.74 127.43 2ka9 s LYS 92 Ca 0.67 1.42 -0.25 0.00 -0.36 0.00 0.00 55.97 57.45 2ka9 s LYS 92 Cb -0.22 -4.11 -0.03 0.00 -1.51 0.00 0.00 37.83 31.96 2ka9 s LYS 92 CO 0.28 -1.60 0.78 -1.25 -0.36 0.00 0.00 175.35 173.20 2ka9 s PRO 93 N 5.17 4.40 -1.06 4.03 0.04 -1.26 -4.96 135.00 141.37 2ka9 s PRO 93 Ca 0.73 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.54 2ka9 s PRO 93 Cb -0.22 -3.49 -0.00 0.00 0.04 0.00 0.00 34.50 30.83 2ka9 s PRO 93 CO 0.32 -0.08 1.75 -1.25 0.04 0.00 0.00 177.00 177.77 2ka9 s PRO 94 N 1.29 3.12 -0.18 0.56 0.04 -1.26 -3.89 135.00 134.67 2ka9 s PRO 94 Ca 0.39 -1.00 0.02 0.00 0.04 0.00 0.00 61.00 60.46 2ka9 s PRO 94 Cb -0.18 -5.27 0.28 0.00 0.04 0.00 0.00 34.50 29.37 2ka9 s PRO 94 CO 0.18 -2.92 1.35 0.00 0.04 0.00 0.00 177.00 175.64 2ka9 n ALA 95 N 11.48 3.72 -1.79 8.56 0.00 -1.26 -4.76 120.51 136.46 2ka9 n ALA 95 Ca 0.40 -1.16 -0.36 0.00 0.00 0.00 0.00 53.44 52.32 2ka9 n ALA 95 Cb 0.48 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 2ka9 n ALA 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ka9 s GLU 96 N -1.38 4.29 0.18 0.00 2.12 -1.26 -4.38 118.70 118.27 2ka9 s GLU 96 Ca 0.23 1.40 -0.02 0.00 0.36 0.00 0.00 54.97 56.95 2ka9 s GLU 96 Cb 0.19 -2.56 0.01 0.00 0.26 0.00 0.00 34.13 32.03 2ka9 s GLU 96 CO 0.05 -0.01 0.27 1.63 -0.54 0.00 0.00 175.26 176.66 2ka9 n LYS 97 N 0.03 0.38 -4.28 4.30 4.01 -1.18 -4.94 118.16 116.48 2ka9 n LYS 97 Ca 0.04 -1.36 -0.21 0.00 -0.51 0.00 0.00 58.31 56.28 2ka9 n LYS 97 Cb 0.50 1.35 -0.12 0.00 -0.51 0.00 0.00 35.03 36.26 2ka9 n LYS 97 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2ka9 s VAL 98 N -2.61 1.59 0.20 -0.18 1.01 -1.26 0.47 120.40 119.61 2ka9 s VAL 98 Ca 0.14 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.45 2ka9 s VAL 98 Cb -0.01 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2ka9 s VAL 98 CO 0.10 -0.25 0.04 -0.32 0.00 0.00 0.00 175.10 174.67 2ka9 s MET 99 N -2.36 1.19 -0.24 2.72 1.75 0.13 -4.86 119.30 117.63 2ka9 s MET 99 Ca 0.09 -1.60 -0.02 0.00 -1.25 0.00 0.00 55.69 52.91 2ka9 s MET 99 Cb -0.07 -0.21 0.08 0.00 2.84 0.00 0.00 34.83 37.47 2ka9 s MET 99 CO 0.04 -0.20 0.06 -1.21 -0.65 0.00 0.00 175.02 173.07 2ka9 s GLU 100 N -3.97 0.62 0.20 4.11 2.02 -1.26 -1.68 118.70 118.74 2ka9 s GLU 100 Ca 0.29 -0.62 0.09 0.00 0.02 0.00 0.00 54.97 54.75 2ka9 s GLU 100 Cb 0.07 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.28 2ka9 s GLU 100 CO 0.07 -0.78 -0.10 0.42 0.02 0.00 0.00 175.26 174.89 2ka9 s ILE 101 N 1.82 3.12 -0.18 -1.63 -1.09 -0.19 -4.96 121.20 118.09 2ka9 s ILE 101 Ca 0.03 -1.77 -0.02 0.00 -2.23 0.00 0.00 60.65 56.66 2ka9 s ILE 101 Cb -0.17 -2.57 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 2ka9 s ILE 101 CO -0.16 -0.17 -0.10 -0.75 -1.23 0.00 0.00 174.94 172.53 2ka9 s LYS 102 N -2.99 3.35 -0.15 2.79 2.20 -1.26 0.12 119.74 123.79 2ka9 s LYS 102 Ca 0.26 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2ka9 s LYS 102 Cb -0.08 -2.80 0.03 0.00 -1.51 0.00 0.00 37.83 33.47 2ka9 s LYS 102 CO 0.15 -0.01 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.85 2ka9 s LEU 103 N 0.94 1.71 0.06 5.43 0.20 0.79 -3.79 118.68 124.02 2ka9 s LEU 103 Ca -0.02 -0.56 -0.09 0.00 0.69 0.00 0.00 54.13 54.15 2ka9 s LEU 103 Cb -0.15 -1.10 -0.06 0.00 -0.43 0.00 0.00 46.19 44.45 2ka9 s LEU 103 CO -0.00 -0.10 0.37 0.27 -0.29 0.00 0.00 176.35 176.60 2ka9 s ILE 104 N 1.52 5.14 0.72 6.68 -4.36 -1.26 -2.01 121.20 127.63 2ka9 s ILE 104 Ca 0.03 0.41 -0.14 0.00 -0.26 0.00 0.00 60.65 60.69 2ka9 s ILE 104 Cb -0.14 -3.63 0.03 0.00 1.25 0.00 0.00 42.46 39.97 2ka9 s ILE 104 CO -0.09 0.32 1.16 -0.75 0.24 0.00 0.00 174.94 175.81 2ka9 s LYS 105 N -1.82 2.34 0.00 0.37 2.20 0.20 -4.64 119.74 118.38 2ka9 s LYS 105 Ca 0.31 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 2ka9 s LYS 105 Cb -0.14 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 2ka9 s LYS 105 CO 0.17 -1.64 0.00 0.41 -0.36 0.00 0.00 175.35 173.93 2ka9 n GLY 106 N -0.09 4.14 0.20 5.54 0.00 0.43 -4.96 105.19 110.45 2ka9 n GLY 106 Ca 0.12 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 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 0.73 -0.71 1.61 0.13 -1.97 -3.12 132.00 128.67 2ka9 h PRO 107 Ca 0.00 -0.72 -0.01 0.00 -0.87 0.00 0.00 66.00 64.40 2ka9 h PRO 107 Cb 0.00 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 2ka9 h PRO 107 CO 0.00 1.30 0.01 1.17 -0.23 0.00 0.00 178.00 180.25 2ka9 n LYS 108 N -3.89 3.77 0.00 0.86 4.81 -1.26 -5.02 118.16 117.43 2ka9 n LYS 108 Ca -0.10 -2.26 0.00 0.00 -0.87 0.00 0.00 58.31 55.08 2ka9 n LYS 108 Cb 0.84 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.84 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ka9 n GLY 109 N 0.42 0.70 0.10 3.14 0.00 -1.18 -4.41 105.19 103.97 2ka9 n GLY 109 Ca 0.20 -1.54 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.32 0.99 4.07 -1.87 1.25 115.31 119.44 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 0.70 0.00 0.61 -1.08 0.00 0.00 178.44 178.67 2ka9 n GLY 111 N 1.39 0.95 3.62 0.83 0.00 -1.26 -3.75 105.19 106.96 2ka9 n GLY 111 Ca -0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.24 -0.12 -0.24 1.61 -0.71 -1.26 -3.49 117.98 111.52 2ka9 s PHE 112 Ca 0.00 0.15 -0.09 0.00 -1.04 0.00 0.00 56.93 55.95 2ka9 s PHE 112 Cb 0.00 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 2ka9 s PHE 112 CO 0.00 -0.14 0.13 0.45 -1.34 0.00 0.00 175.22 174.32 2ka9 s SER 113 N -1.55 5.75 0.12 1.98 0.15 0.50 -4.97 113.70 115.68 2ka9 s SER 113 Ca 0.08 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.77 2ka9 s SER 113 Cb -0.01 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 2ka9 s SER 113 CO -0.05 0.03 -0.13 0.27 1.20 0.00 0.00 173.24 174.56 2ka9 s ILE 114 N 1.28 1.26 -0.29 6.45 -4.36 -1.26 0.04 121.20 124.32 2ka9 s ILE 114 Ca 0.06 -1.74 -0.14 0.00 -0.26 0.00 0.00 60.65 58.57 2ka9 s ILE 114 Cb -0.14 -1.53 0.12 0.00 1.25 0.00 0.00 42.46 42.15 2ka9 s ILE 114 CO 0.05 -0.47 0.75 0.00 0.24 0.00 0.00 174.94 175.52 2ka9 s ALA 115 N -2.29 -2.08 0.21 2.27 0.00 -0.56 -4.95 121.76 114.35 2ka9 s ALA 115 Ca 0.09 2.33 -0.04 0.00 0.00 0.00 0.00 51.96 54.34 2ka9 s ALA 115 Cb -0.04 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2ka9 s ALA 115 CO 0.02 -0.63 0.35 0.41 0.00 0.00 0.00 175.76 175.92 2ka9 n GLY 116 N 4.69 2.03 7.00 0.00 0.00 -1.26 -2.83 105.19 114.82 2ka9 n GLY 116 Ca -0.16 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.31 0.35 3.83 -0.02 0.00 0.28 -4.25 105.19 105.07 2ka9 n GLY 117 Ca -0.02 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 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 4.70 0.00 1.61 1.01 -1.26 -4.27 120.40 122.19 2ka9 s VAL 118 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2ka9 s VAL 118 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 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 -0.36 2.53 0.00 4.51 0.00 -1.26 0.13 105.19 110.73 2ka9 n GLY 119 Ca -0.08 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.30 0.00 -4.39 1.61 5.15 -1.26 -4.94 115.26 111.72 2ka9 n ASN 120 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 2ka9 n ASN 120 Cb 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka9 s GLN 121 N 0.00 3.21 0.51 1.20 1.03 -1.26 -4.46 119.66 119.89 2ka9 s GLN 121 Ca 0.00 -0.79 0.32 0.00 0.04 0.00 0.00 55.36 54.93 2ka9 s GLN 121 Cb 0.00 -3.48 1.76 0.00 0.03 0.00 0.00 33.01 31.32 2ka9 s GLN 121 CO 0.00 -0.44 1.99 1.12 -2.54 0.00 0.00 175.29 175.42 2ka9 h HIS 122 N 8.30 0.00 -3.27 9.60 2.07 -1.95 -3.41 115.15 126.50 2ka9 h HIS 122 Ca -0.32 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.62 2ka9 h HIS 122 Cb 1.14 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.05 2ka9 h HIS 122 CO 0.63 0.00 0.47 0.42 -3.07 0.00 0.00 177.93 176.38 2ka9 s ILE 123 N -3.85 4.84 -0.62 6.12 1.01 -1.26 -4.96 121.20 122.48 2ka9 s ILE 123 Ca -0.04 1.71 -0.26 0.00 0.00 0.00 0.00 60.65 62.06 2ka9 s ILE 123 Cb 0.09 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 2ka9 s ILE 123 CO 0.29 -0.02 2.42 -0.81 0.00 0.00 0.00 174.94 176.83 2ka9 n PRO 124 N 5.50 0.83 -3.29 2.79 -0.04 -1.26 -2.91 135.00 136.62 2ka9 n PRO 124 Ca 0.06 -0.33 -0.16 0.00 -0.04 0.00 0.00 63.50 63.04 2ka9 n PRO 124 Cb 0.48 -3.49 0.07 0.00 -0.04 0.00 0.00 33.50 30.53 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka9 n GLY 125 N 6.32 -1.03 2.53 0.55 0.00 -1.26 -5.01 105.19 107.29 2ka9 n GLY 125 Ca 0.42 0.51 -0.24 0.00 0.00 0.00 0.00 46.02 46.70 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 -3.55 1.90 0.57 1.61 2.15 -1.14 -4.98 116.67 113.22 2ka9 s ASP 126 Ca 0.38 -2.24 0.39 0.00 0.43 0.00 0.00 52.55 51.51 2ka9 s ASP 126 Cb -0.05 -0.06 1.47 0.00 -0.30 0.00 0.00 42.92 43.98 2ka9 s ASP 126 CO 0.74 -0.25 1.60 0.78 -0.17 0.00 0.00 175.17 177.88 2ka9 h ASN 127 N 6.57 0.00 -2.61 -0.34 2.35 -1.89 -3.38 115.58 116.28 2ka9 h ASN 127 Ca 0.11 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.40 2ka9 h ASN 127 Cb 0.98 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.58 2ka9 h ASN 127 CO 0.26 0.00 -0.83 -0.24 -1.65 0.00 0.00 177.43 174.97 2ka9 n SER 128 N -3.81 -2.20 -4.55 5.81 2.88 -1.26 0.10 113.62 110.60 2ka9 n SER 128 Ca 0.31 -0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 57.42 2ka9 n SER 128 Cb 1.56 -1.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ka9 s ILE 129 N -2.29 4.41 0.19 2.46 1.01 -0.98 -2.96 121.20 123.04 2ka9 s ILE 129 Ca 0.58 -0.16 0.10 0.00 0.00 0.00 0.00 60.65 61.17 2ka9 s ILE 129 Cb -0.15 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2ka9 s ILE 129 CO 0.66 0.44 -0.17 -0.31 0.00 0.00 0.00 174.94 175.56 2ka9 s TYR 130 N 0.70 2.46 0.29 3.97 1.51 -1.13 -0.06 117.35 125.09 2ka9 s TYR 130 Ca 0.02 -0.29 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 2ka9 s TYR 130 Cb -0.14 -1.20 -0.07 0.00 -0.11 0.00 0.00 41.96 40.45 2ka9 s TYR 130 CO 0.02 0.52 0.60 0.08 -1.11 0.00 0.00 175.55 175.66 2ka9 s VAL 131 N -1.74 4.91 0.01 0.71 1.01 0.57 -1.50 120.40 124.38 2ka9 s VAL 131 Ca 0.23 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2ka9 s VAL 131 Cb -0.08 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2ka9 s VAL 131 CO 0.13 -0.23 0.00 1.07 0.00 0.00 0.00 175.10 176.06 2ka9 n THR 132 N -0.60 0.06 -4.24 3.92 5.66 0.11 -3.88 114.28 115.30 2ka9 n THR 132 Ca 0.00 0.02 -0.17 0.00 -3.05 0.00 0.00 64.05 60.85 2ka9 n THR 132 Cb 0.53 -1.32 -0.14 0.00 -1.55 0.00 0.00 70.33 67.85 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 -2.00 0.61 -0.01 1.09 2.36 -1.12 -4.83 119.74 115.84 2ka9 s LYS 133 Ca 0.00 -0.40 0.01 0.00 -2.55 0.00 0.00 55.97 53.03 2ka9 s LYS 133 Cb 0.00 -0.56 0.00 0.00 -1.05 0.00 0.00 37.83 36.22 2ka9 s LYS 133 CO 0.00 0.15 -0.03 0.42 1.55 0.00 0.00 175.35 177.43 2ka9 s ILE 134 N -0.46 0.30 0.86 5.43 1.01 -1.26 0.19 121.20 127.27 2ka9 s ILE 134 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 2ka9 s ILE 134 Cb -0.05 -0.28 0.12 0.00 0.01 0.00 0.00 42.46 42.27 2ka9 s ILE 134 CO 0.00 0.10 1.23 -0.63 0.00 0.00 0.00 174.94 175.64 2ka9 s ILE 135 N 0.07 2.01 -0.05 2.92 1.01 -1.23 -5.03 121.20 120.91 2ka9 s ILE 135 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 2ka9 s ILE 135 Cb -0.03 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 2ka9 s ILE 135 CO -0.00 0.00 0.49 -1.61 0.00 0.00 0.00 174.94 173.82 2ka9 s GLU 136 N -5.68 4.22 -1.70 2.79 2.02 -1.26 -4.04 118.70 115.04 2ka9 s GLU 136 Ca 0.66 0.52 0.00 0.00 0.02 0.00 0.00 54.97 56.18 2ka9 s GLU 136 Cb -0.08 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.80 2ka9 s GLU 136 CO 0.50 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.58 2ka9 n GLY 137 N 2.58 0.33 0.00 -1.39 0.00 -1.26 -4.96 105.19 100.49 2ka9 n GLY 137 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.72 -1.39 0.00 -0.02 0.00 -1.26 -4.82 105.19 96.98 2ka9 n GLY 138 Ca -0.20 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2ka9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 n ALA 139 N -3.00 0.00 0.14 4.61 0.00 -1.25 -4.25 120.51 116.76 2ka9 n ALA 139 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.33 2ka9 n ALA 139 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 19.45 19.95 2ka9 n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka9 h ALA 140 N -2.00 1.75 0.51 0.00 0.00 -1.83 0.10 119.26 117.80 2ka9 h ALA 140 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ka9 h ALA 140 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ka9 h ALA 140 CO 0.00 0.20 -0.39 1.25 0.00 0.00 0.00 179.25 180.30 2ka9 h HIS 141 N 0.23 -1.07 -0.09 0.00 6.17 -1.85 1.41 115.15 119.94 2ka9 h HIS 141 Ca 0.06 -0.00 -0.17 0.00 0.71 0.00 0.00 60.37 60.97 2ka9 h HIS 141 Cb 0.11 0.40 -0.01 0.00 2.52 0.00 0.00 27.41 30.43 2ka9 h HIS 141 CO 0.00 -0.55 -0.66 -0.22 0.71 0.00 0.00 177.93 177.21 2ka9 h LYS 142 N -0.87 0.36 0.00 5.26 3.64 -1.71 0.11 116.57 123.35 2ka9 h LYS 142 Ca -0.07 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2ka9 h LYS 142 Cb 0.73 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2ka9 h LYS 142 CO 0.02 0.89 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.63 2ka9 h ASP 143 N 0.26 0.00 0.64 4.20 5.19 -0.74 -3.40 116.42 122.57 2ka9 h ASP 143 Ca -0.02 -0.06 -0.25 0.00 -0.62 0.00 0.00 57.03 56.08 2ka9 h ASP 143 Cb 1.20 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 2ka9 h ASP 143 CO 0.11 0.54 -1.51 1.23 -3.12 0.00 0.00 179.24 176.49 2ka9 h GLY 144 N -1.00 0.00 -1.57 2.75 0.00 0.13 -3.46 103.07 99.92 2ka9 h GLY 144 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2ka9 h GLY 144 CO -0.00 0.00 -0.31 -2.13 0.00 0.00 0.00 176.54 174.10 2ka9 n ARG 145 N -3.08 -1.00 -2.90 4.80 0.63 0.29 -4.93 116.66 110.46 2ka9 n ARG 145 Ca -0.12 0.70 -0.44 0.00 -0.92 0.00 0.00 57.85 57.07 2ka9 n ARG 145 Cb 0.99 -4.88 -0.01 0.00 0.45 0.00 0.00 32.46 29.02 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2ka9 s LEU 146 N -3.53 4.92 1.20 6.15 2.34 -1.24 -5.00 118.68 123.51 2ka9 s LEU 146 Ca 0.00 -2.69 -0.18 0.00 0.06 0.00 0.00 54.13 51.31 2ka9 s LEU 146 Cb 0.00 -2.42 0.28 0.00 -0.56 0.00 0.00 46.19 43.49 2ka9 s LEU 146 CO 0.00 -0.87 1.08 0.00 -1.06 0.00 0.00 176.35 175.50 2ka9 s GLN 147 N 2.13 -1.20 -0.23 1.48 0.00 -1.26 -4.70 119.66 115.88 2ka9 s GLN 147 Ca 0.41 0.08 -0.40 0.00 -0.00 0.00 0.00 55.36 55.45 2ka9 s GLN 147 Cb -0.03 -1.59 -0.16 0.00 0.00 0.00 0.00 33.01 31.24 2ka9 s GLN 147 CO -0.02 -3.72 1.69 -0.89 0.00 0.00 0.00 175.29 172.35 2ka9 n ILE 148 N -4.80 0.26 0.00 3.63 5.41 -1.26 -2.16 119.36 120.45 2ka9 n ILE 148 Ca 0.11 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2ka9 n ILE 148 Cb 0.59 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 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 3.97 1.43 3.74 7.39 0.00 -1.25 -5.05 105.19 115.41 2ka9 n GLY 149 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2ka9 n GLY 149 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ka9 n ASP 150 N 0.00 3.35 -3.87 1.61 -0.08 -0.92 -4.66 116.55 111.98 2ka9 n ASP 150 Ca 0.00 1.21 -0.26 0.00 -1.51 0.00 0.00 54.79 54.23 2ka9 n ASP 150 Cb 0.00 -1.56 -0.17 0.00 2.34 0.00 0.00 41.12 41.73 2ka9 n ASP 150 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2ka9 s LYS 151 N -1.86 1.29 -0.17 -0.67 0.00 -1.26 -0.31 119.74 116.76 2ka9 s LYS 151 Ca 0.55 -0.19 -0.07 0.00 0.00 0.00 0.00 55.97 56.26 2ka9 s LYS 151 Cb -0.52 -1.48 -0.04 0.00 0.00 0.00 0.00 37.83 35.79 2ka9 s LYS 151 CO 0.62 -0.29 0.08 0.96 0.00 0.00 0.00 175.35 176.71 2ka9 s ILE 152 N 1.77 4.93 -2.14 3.79 -5.25 0.92 0.10 121.20 125.31 2ka9 s ILE 152 Ca 0.05 0.01 0.19 0.00 -0.99 0.00 0.00 60.65 59.90 2ka9 s ILE 152 Cb -0.13 -3.20 0.10 0.00 2.95 0.00 0.00 42.46 42.18 2ka9 s ILE 152 CO -0.07 0.49 1.04 0.00 -1.79 0.00 0.00 174.94 174.61 2ka9 n LEU 153 N 3.23 2.33 0.00 0.37 -0.00 0.16 -2.31 117.00 120.77 2ka9 n LEU 153 Ca -0.17 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 54.91 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 0.34 0.41 0.00 0.00 -0.00 0.00 0.00 177.39 178.15 2ka9 n ALA 154 N 0.72 0.00 -3.94 1.47 0.00 -1.23 -4.59 120.51 112.94 2ka9 n ALA 154 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 2ka9 n ALA 154 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.75 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 2.59 0.00 0.00 1.01 0.19 -0.36 120.40 121.82 2ka9 s VAL 155 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.75 2ka9 s VAL 155 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2ka9 s VAL 155 CO 0.00 -0.60 0.00 0.59 0.00 0.00 0.00 175.10 175.09 2ka9 n ASN 156 N 4.36 0.00 -0.45 3.32 3.02 0.33 -1.86 115.26 123.99 2ka9 n ASN 156 Ca 0.01 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.56 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 1.95 -0.12 -4.34 6.41 7.64 -1.26 -4.93 113.62 118.98 2ka9 n SER 157 Ca 0.00 -0.85 -0.32 0.00 1.01 0.00 0.00 58.87 58.70 2ka9 n SER 157 Cb 0.00 0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.08 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 2.68 -1.18 0.44 1.01 -0.77 -5.04 120.40 117.54 2ka9 s VAL 158 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2ka9 s VAL 158 Cb 0.00 -2.07 0.24 0.00 0.00 0.00 0.00 36.38 34.55 2ka9 s VAL 158 CO 0.00 0.55 1.75 0.61 0.00 0.00 0.00 175.10 178.01 2ka9 n GLY 159 N 3.22 5.11 1.39 4.51 0.00 -1.26 -0.64 105.19 117.51 2ka9 n GLY 159 Ca -0.18 -2.39 -0.07 0.00 0.00 0.00 0.00 46.02 43.38 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 2.23 4.15 -1.71 0.99 -0.00 -1.26 -4.00 117.00 117.40 2ka9 n LEU 160 Ca 0.36 -2.15 -0.14 0.00 -0.00 0.00 0.00 56.01 54.08 2ka9 n LEU 160 Cb 0.33 -0.62 0.07 0.00 -0.00 0.00 0.00 43.42 43.20 2ka9 n LEU 160 CO 0.75 0.66 0.21 -1.84 -0.00 0.00 0.00 177.39 177.16 2ka9 n GLU 161 N -0.06 2.84 -1.35 1.47 -0.00 -1.26 -4.19 120.64 118.09 2ka9 n GLU 161 Ca 0.20 -3.83 0.02 0.00 -0.00 0.00 0.00 57.16 53.56 2ka9 n GLU 161 Cb 0.89 -1.99 0.01 0.00 -0.00 0.00 0.00 31.44 30.35 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ka9 n ASP 162 N -0.76 0.69 0.00 -1.84 8.00 -1.26 -4.33 116.55 117.05 2ka9 n ASP 162 Ca 0.33 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.85 2ka9 n ASP 162 Cb 0.89 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ka9 n VAL 163 N 0.40 0.00 -3.83 2.53 0.31 -1.26 -5.00 118.33 111.48 2ka9 n VAL 163 Ca 0.02 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2ka9 n VAL 163 Cb 1.06 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 -1.61 0.00 0.05 5.55 2.81 -1.26 -4.34 117.12 118.32 2ka9 n MET 164 Ca 0.00 -0.02 -0.05 0.00 -1.81 0.00 0.00 57.70 55.82 2ka9 n MET 164 Cb 0.00 0.03 0.14 0.00 -0.71 0.00 0.00 33.22 32.68 2ka9 n MET 164 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2ka9 h HIS 165 N 1.02 0.47 -0.06 2.03 2.76 0.83 -1.48 115.15 120.72 2ka9 h HIS 165 Ca -0.00 -0.15 -0.11 0.00 -2.20 0.00 0.00 60.37 57.91 2ka9 h HIS 165 Cb 0.02 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 28.89 2ka9 h HIS 165 CO 0.00 0.78 -0.37 0.93 -1.30 0.00 0.00 177.93 177.97 2ka9 h GLU 166 N 0.32 0.37 -0.19 5.26 5.08 -1.93 -0.84 114.58 122.64 2ka9 h GLU 166 Ca 0.02 -0.31 -0.18 0.00 -1.00 0.00 0.00 59.36 57.89 2ka9 h GLU 166 Cb 0.94 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2ka9 h GLU 166 CO 0.08 0.95 -0.61 -0.44 -1.00 0.00 0.00 179.01 177.99 2ka9 h ASP 167 N -0.12 0.73 0.02 1.42 5.19 -1.93 0.85 116.42 122.58 2ka9 h ASP 167 Ca -0.03 -0.42 -0.15 0.00 -0.62 0.00 0.00 57.03 55.81 2ka9 h ASP 167 Cb 1.03 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 2ka9 h ASP 167 CO 0.08 1.17 -0.50 0.00 -3.12 0.00 0.00 179.24 176.87 2ka9 h ALA 168 N 0.84 0.76 -0.12 3.45 0.00 -1.35 0.59 119.26 123.42 2ka9 h ALA 168 Ca -0.01 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 2ka9 h ALA 168 Cb 1.19 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2ka9 h ALA 168 CO 0.12 0.67 -0.84 0.28 0.00 0.00 0.00 179.25 179.49 2ka9 h VAL 169 N 0.43 1.27 -0.11 0.00 2.07 -1.05 -1.20 116.25 117.66 2ka9 h VAL 169 Ca 0.02 -2.03 -0.14 0.00 0.82 0.00 0.00 66.70 65.37 2ka9 h VAL 169 Cb 1.02 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2ka9 h VAL 169 CO 0.09 0.64 -0.55 0.00 0.02 0.00 0.00 177.57 177.77 2ka9 h ALA 170 N 0.52 0.86 0.00 1.67 0.00 -0.77 -1.75 119.26 119.79 2ka9 h ALA 170 Ca -0.07 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 2ka9 h ALA 170 Cb 1.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2ka9 h ALA 170 CO 0.17 0.69 -0.63 0.00 0.00 0.00 0.00 179.25 179.48 2ka9 h ALA 171 N 1.17 0.66 0.01 0.00 0.00 -0.87 -0.56 119.26 119.67 2ka9 h ALA 171 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 2ka9 h ALA 171 Cb 1.05 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.74 2ka9 h ALA 171 CO 0.09 0.79 -0.99 1.37 0.00 0.00 0.00 179.25 180.51 2ka9 h LEU 172 N 0.00 0.62 -0.64 0.00 8.10 -1.09 -3.02 115.31 119.28 2ka9 h LEU 172 Ca -0.01 -0.50 -0.10 0.00 0.11 0.00 0.00 57.88 57.37 2ka9 h LEU 172 Cb 1.38 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 41.40 2ka9 h LEU 172 CO 0.08 1.31 -0.50 0.50 -4.11 0.00 0.00 178.44 175.72 2ka9 h LYS 173 N 0.26 0.00 0.00 0.17 1.63 -1.29 -2.87 116.57 114.47 2ka9 h LYS 173 Ca -0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2ka9 h LYS 173 Cb 1.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.26 2ka9 h LYS 173 CO 0.18 0.50 0.00 0.09 -3.45 0.00 0.00 179.45 176.76 2ka9 n ASN 174 N -3.50 0.00 -4.44 4.20 3.02 -0.22 -4.84 115.26 109.48 2ka9 n ASN 174 Ca 0.00 0.50 -0.39 0.00 -0.03 0.00 0.00 54.58 54.66 2ka9 n ASN 174 Cb 0.61 -0.50 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.50 1.94 -2.33 3.41 -2.24 -1.08 -4.98 114.28 107.50 2ka9 n THR 175 Ca 0.03 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.07 2ka9 n THR 175 Cb 0.16 -0.59 0.06 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.73 2.91 0.44 4.78 5.04 -1.26 -4.94 117.35 122.59 2ka9 s TYR 176 Ca 0.67 0.32 0.27 0.00 -2.44 0.00 0.00 57.07 55.89 2ka9 s TYR 176 Cb -0.47 -3.06 1.33 0.00 0.35 0.00 0.00 41.96 40.12 2ka9 s TYR 176 CO 0.56 -1.24 1.69 0.22 -1.34 0.00 0.00 175.55 175.44 2ka9 h ASP 177 N -0.40 0.28 -1.98 4.32 3.58 -1.93 -3.29 116.42 117.01 2ka9 h ASP 177 Ca -0.44 0.10 -0.37 0.00 0.42 0.00 0.00 57.03 56.74 2ka9 h ASP 177 Cb 1.31 0.07 -0.31 0.00 1.72 0.00 0.00 39.33 42.11 2ka9 h ASP 177 CO 0.58 -0.06 -0.68 -0.69 -2.88 0.00 0.00 179.24 175.51 2ka9 s VAL 178 N -5.32 -0.33 0.10 2.25 1.01 -1.26 0.62 120.40 117.47 2ka9 s VAL 178 Ca -0.08 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.04 2ka9 s VAL 178 Cb 0.27 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2ka9 s VAL 178 CO 0.81 -0.58 -0.24 0.68 0.00 0.00 0.00 175.10 175.77 2ka9 s VAL 179 N 1.51 2.39 -0.20 2.92 -7.23 -0.85 -4.95 120.40 113.99 2ka9 s VAL 179 Ca 0.16 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 2ka9 s VAL 179 Cb -0.15 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2ka9 s VAL 179 CO -0.06 0.19 0.30 -0.31 -0.31 0.00 0.00 175.10 174.91 2ka9 s TYR 180 N -1.00 3.39 0.09 2.82 1.51 -1.26 -0.15 117.35 122.76 2ka9 s TYR 180 Ca 0.14 0.51 0.03 0.00 -1.01 0.00 0.00 57.07 56.74 2ka9 s TYR 180 Cb -0.10 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 2ka9 s TYR 180 CO 0.06 0.10 0.10 -0.51 -1.11 0.00 0.00 175.55 174.19 2ka9 s LEU 181 N 0.93 3.86 -0.36 -1.29 1.43 0.33 0.12 118.68 123.71 2ka9 s LEU 181 Ca 0.15 0.00 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 2ka9 s LEU 181 Cb -0.14 -2.52 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 2ka9 s LEU 181 CO 0.05 0.16 0.39 -0.75 0.23 0.00 0.00 176.35 176.43 2ka9 s LYS 182 N -2.50 3.48 0.24 1.70 2.20 0.51 -1.02 119.74 124.35 2ka9 s LYS 182 Ca 0.30 -0.46 0.06 0.00 -0.36 0.00 0.00 55.97 55.50 2ka9 s LYS 182 Cb -0.12 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.33 2ka9 s LYS 182 CO 0.23 -0.60 0.31 0.08 -0.36 0.00 0.00 175.35 175.01 2ka9 s VAL 183 N 2.07 5.02 -0.00 4.02 1.01 -0.68 -0.66 120.40 131.18 2ka9 s VAL 183 Ca 0.12 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 61.06 2ka9 s VAL 183 Cb -0.17 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2ka9 s VAL 183 CO 0.12 -0.34 -0.22 0.00 0.00 0.00 0.00 175.10 174.66 2ka9 s ALA 184 N -2.03 1.85 -0.14 5.51 0.00 0.29 0.20 121.76 127.43 2ka9 s ALA 184 Ca 0.34 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 2ka9 s ALA 184 Cb -0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2ka9 s ALA 184 CO 0.28 0.45 0.70 0.21 0.00 0.00 0.00 175.76 177.39 2ka9 s LYS 185 N -0.68 4.31 -0.24 0.00 2.20 0.18 -4.26 119.74 121.25 2ka9 s LYS 185 Ca 0.09 0.80 -0.36 0.00 -0.36 0.00 0.00 55.97 56.14 2ka9 s LYS 185 Cb -0.09 -3.53 -0.12 0.00 -1.51 0.00 0.00 37.83 32.58 2ka9 s LYS 185 CO -0.00 -0.15 1.96 -2.30 -0.36 0.00 0.00 175.35 174.50 2ka9 n PRO 186 N 4.63 1.50 -1.64 4.03 -0.02 -1.26 -3.09 135.00 139.15 2ka9 n PRO 186 Ca -0.00 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 2ka9 n PRO 186 Cb 0.50 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ka9 n SER 187 N 7.57 1.79 -2.15 2.55 7.64 -1.26 -1.02 113.62 128.74 2ka9 n SER 187 Ca 0.30 1.10 -0.14 0.00 1.01 0.00 0.00 58.87 61.14 2ka9 n SER 187 Cb 0.23 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 62.01 2ka9 n SER 187 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2ka9 n ASN 188 N 0.58 -4.10 0.00 6.43 5.15 -1.25 -4.81 115.26 117.25 2ka9 n ASN 188 Ca 0.08 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 2ka9 n ASN 188 Cb 0.38 -3.55 0.00 0.00 -0.53 0.00 0.00 39.78 36.08 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66