#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 1.03 0.23 0.03 2.12 -0.81 -4.83 118.70 116.47 2ka9 s GLU 2 Ca 0.00 -1.05 0.05 0.00 0.36 0.00 0.00 54.97 54.33 2ka9 s GLU 2 Cb 0.00 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.71 2ka9 s GLU 2 CO 0.00 -0.36 -0.06 0.71 -0.54 0.00 0.00 175.26 175.01 2ka9 s TYR 3 N -3.91 1.64 -0.14 5.30 1.51 -1.26 -1.68 117.35 118.81 2ka9 s TYR 3 Ca 0.11 -0.77 -0.34 0.00 -1.01 0.00 0.00 57.07 55.06 2ka9 s TYR 3 Cb 0.04 -0.90 0.13 0.00 -0.11 0.00 0.00 41.96 41.12 2ka9 s TYR 3 CO -0.05 0.14 1.21 -2.00 -1.11 0.00 0.00 175.55 173.73 2ka9 s GLU 4 N -3.77 0.36 0.09 -0.62 2.12 -0.91 -4.99 118.70 110.97 2ka9 s GLU 4 Ca 0.26 -0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.38 2ka9 s GLU 4 Cb 0.04 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.52 2ka9 s GLU 4 CO 0.08 -0.16 0.34 -1.83 -0.54 0.00 0.00 175.26 173.15 2ka9 s GLU 5 N -2.46 3.63 0.16 4.30 -1.05 -1.26 -1.07 118.70 120.96 2ka9 s GLU 5 Ca 0.10 -0.04 -0.08 0.00 -0.15 0.00 0.00 54.97 54.80 2ka9 s GLU 5 Cb 0.00 -2.95 -0.01 0.00 -0.44 0.00 0.00 34.13 30.73 2ka9 s GLU 5 CO -0.05 0.54 0.26 0.42 0.95 0.00 0.00 175.26 177.39 2ka9 s ILE 6 N -1.50 0.06 0.05 1.83 1.01 -0.08 -4.95 121.20 117.63 2ka9 s ILE 6 Ca 0.35 -1.45 0.05 0.00 0.00 0.00 0.00 60.65 59.60 2ka9 s ILE 6 Cb -0.13 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 2ka9 s ILE 6 CO 0.21 -0.29 -0.15 0.42 0.00 0.00 0.00 174.94 175.13 2ka9 s THR 7 N -3.98 1.17 -0.41 2.92 -4.23 -1.26 -1.93 115.64 107.92 2ka9 s THR 7 Ca 0.19 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2ka9 s THR 7 Cb 0.04 -1.07 0.15 0.00 1.34 0.00 0.00 72.50 72.95 2ka9 s THR 7 CO 0.01 -0.06 0.26 -0.22 -0.54 0.00 0.00 174.62 174.07 2ka9 s LEU 8 N -1.36 1.83 -0.26 4.79 2.96 -0.48 -4.72 118.68 121.45 2ka9 s LEU 8 Ca 0.01 -2.60 -0.29 0.00 -0.22 0.00 0.00 54.13 51.03 2ka9 s LEU 8 Cb -0.09 -0.68 0.01 0.00 0.50 0.00 0.00 46.19 45.94 2ka9 s LEU 8 CO 0.02 -0.25 1.06 -1.83 -1.32 0.00 0.00 176.35 174.02 2ka9 s GLU 9 N 0.49 4.20 -0.96 1.98 1.03 -1.26 -2.56 118.70 121.61 2ka9 s GLU 9 Ca 0.21 1.28 -0.25 0.00 0.03 0.00 0.00 54.97 56.24 2ka9 s GLU 9 Cb -0.17 -3.68 -0.24 0.00 -0.80 0.00 0.00 34.13 29.25 2ka9 s GLU 9 CO -0.05 -0.72 2.54 0.54 -1.33 0.00 0.00 175.26 176.25 2ka9 n ARG 10 N 6.51 0.08 -0.05 -4.83 1.74 0.36 -4.64 116.66 115.83 2ka9 n ARG 10 Ca 0.12 -0.02 0.25 0.00 -0.77 0.00 0.00 57.85 57.43 2ka9 n ARG 10 Cb 0.46 -1.56 0.69 0.00 -1.02 0.00 0.00 32.46 31.03 2ka9 n ARG 10 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2ka9 h GLY 11 N 12.52 0.00 0.00 -0.13 0.00 -1.86 -3.44 103.07 110.16 2ka9 h GLY 11 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2ka9 h GLY 11 CO 1.42 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.66 2ka9 n ASN 12 N -3.74 0.00 -1.53 0.19 4.13 -1.26 -4.98 115.26 108.07 2ka9 n ASN 12 Ca 0.14 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.28 2ka9 n ASN 12 Cb 0.91 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 39.34 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2ka9 n SER 13 N -0.31 3.06 0.00 6.41 7.64 -1.26 -5.04 113.62 124.12 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 0.54 0.10 0.23 0.00 -1.26 -4.99 105.19 98.70 2ka9 n GLY 14 Ca 0.42 -1.59 -0.19 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 0.18 -0.74 0.99 4.07 -1.93 -3.13 115.31 114.76 2ka9 h LEU 15 Ca 0.00 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.13 2ka9 h LEU 15 Cb 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2ka9 h LEU 15 CO 0.00 1.36 0.00 0.61 -1.08 0.00 0.00 178.44 179.33 2ka9 n GLY 16 N 1.61 0.83 3.76 0.83 0.00 -1.26 0.22 105.19 111.18 2ka9 n GLY 16 Ca -0.21 -0.68 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 2ka9 n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 17 N -2.25 -0.16 -0.13 1.61 -0.12 -1.26 -1.76 117.98 113.91 2ka9 s PHE 17 Ca 0.00 -0.16 0.03 0.00 -0.05 0.00 0.00 56.93 56.74 2ka9 s PHE 17 Cb 0.00 0.65 0.01 0.00 -0.63 0.00 0.00 43.02 43.04 2ka9 s PHE 17 CO 0.00 -0.90 -0.22 -1.12 -0.05 0.00 0.00 175.22 172.93 2ka9 s SER 18 N -2.91 3.17 0.23 1.98 0.01 -0.30 -4.97 113.70 110.91 2ka9 s SER 18 Ca 0.11 -0.57 0.10 0.00 1.31 0.00 0.00 55.95 56.90 2ka9 s SER 18 Cb -0.02 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.72 2ka9 s SER 18 CO 0.02 0.11 -0.12 0.27 0.41 0.00 0.00 173.24 173.93 2ka9 s ILE 19 N 0.65 2.93 -0.22 1.44 -4.36 -1.26 0.32 121.20 120.70 2ka9 s ILE 19 Ca -0.11 -1.98 -0.29 0.00 -0.26 0.00 0.00 60.65 58.01 2ka9 s ILE 19 Cb -0.16 -2.50 0.15 0.00 1.25 0.00 0.00 42.46 41.20 2ka9 s ILE 19 CO 0.02 -0.25 1.15 0.00 0.24 0.00 0.00 174.94 176.10 2ka9 s ALA 20 N -2.06 -2.02 0.00 2.27 0.00 -0.11 -4.86 121.76 114.98 2ka9 s ALA 20 Ca 0.27 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.95 2ka9 s ALA 20 Cb -0.07 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2ka9 s ALA 20 CO 0.15 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2ka9 n GLY 21 N 0.90 1.12 3.07 0.00 0.00 -1.26 0.11 105.19 109.13 2ka9 n GLY 21 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.49 0.14 -0.02 0.00 -1.23 -2.19 105.19 99.40 2ka9 n GLY 22 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.97 1.43 0.13 2.61 1.03 -0.55 -3.04 112.91 112.56 2ka9 h THR 23 Ca -0.36 -2.68 -0.31 0.00 -0.01 0.00 0.00 66.41 63.05 2ka9 h THR 23 Cb 1.07 2.64 -0.00 0.00 -1.07 0.00 0.00 68.15 70.78 2ka9 h THR 23 CO 0.23 0.79 -1.56 -0.78 -0.01 0.00 0.00 175.52 174.19 2ka9 h ASP 24 N 0.17 0.44 -2.72 0.00 3.58 -1.87 -3.42 116.42 112.60 2ka9 h ASP 24 Ca -0.11 -0.88 -0.61 0.00 0.42 0.00 0.00 57.03 55.85 2ka9 h ASP 24 Cb 1.75 -0.14 -0.41 0.00 1.72 0.00 0.00 39.33 42.24 2ka9 h ASP 24 CO 0.18 1.69 -0.66 0.59 -2.88 0.00 0.00 179.24 178.16 2ka9 n ASN 25 N -3.80 2.56 -4.12 2.28 4.13 -1.26 -5.06 115.26 109.99 2ka9 n ASN 25 Ca -0.26 -3.12 -0.31 0.00 1.68 0.00 0.00 54.58 52.57 2ka9 n ASN 25 Cb 0.96 -0.70 0.14 0.00 -1.54 0.00 0.00 39.78 38.64 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 1.79 -1.43 -0.01 3.52 -0.02 -1.15 -3.56 135.00 134.15 2ka9 n PRO 26 Ca 0.24 -0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.34 2ka9 n PRO 26 Cb 0.39 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.27 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 -4.27 0.00 -0.04 6.00 -0.00 -1.26 -4.54 115.22 111.11 2ka9 n HIS 27 Ca 0.01 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.18 2ka9 n HIS 27 Cb 0.61 -0.25 -0.11 0.00 -0.12 0.00 0.00 29.99 30.12 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 -1.91 0.53 -0.12 3.57 -5.35 -1.26 -4.95 119.36 109.87 2ka9 n ILE 28 Ca -0.04 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 2ka9 n ILE 28 Cb 0.34 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 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 1.98 1.85 0.00 3.28 0.00 -1.26 -4.96 105.19 106.08 2ka9 n GLY 29 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.12 0.00 -3.29 1.61 -0.08 -1.26 -5.09 116.55 108.56 2ka9 n ASP 30 Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 2ka9 n ASP 30 Cb 0.03 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.43 2ka9 n ASP 30 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2ka9 s ASP 31 N 0.00 -0.18 0.54 1.67 1.11 -1.26 -5.02 116.67 113.53 2ka9 s ASP 31 Ca 0.00 0.30 0.31 0.00 0.18 0.00 0.00 52.55 53.35 2ka9 s ASP 31 Cb 0.00 1.39 1.45 0.00 1.07 0.00 0.00 42.92 46.82 2ka9 s ASP 31 CO 0.00 -0.30 2.03 -0.65 1.18 0.00 0.00 175.17 177.44 2ka9 h PRO 32 N 8.13 0.00 -6.48 8.23 0.11 -1.76 -3.42 132.00 136.81 2ka9 h PRO 32 Ca -0.18 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.40 2ka9 h PRO 32 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2ka9 h PRO 32 CO 0.27 0.09 0.23 -1.12 -0.21 0.00 0.00 178.00 177.26 2ka9 s SER 33 N -5.87 7.38 0.30 -2.05 0.01 -1.20 -1.89 113.70 110.39 2ka9 s SER 33 Ca -0.01 1.64 -0.22 0.00 1.31 0.00 0.00 55.95 58.68 2ka9 s SER 33 Cb 0.11 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 2ka9 s SER 33 CO 0.56 0.07 0.84 -0.63 0.41 0.00 0.00 173.24 174.49 2ka9 s ILE 34 N -0.50 4.42 -0.02 1.44 1.09 -0.93 -4.40 121.20 122.30 2ka9 s ILE 34 Ca 0.40 1.48 -0.03 0.00 -1.10 0.00 0.00 60.65 61.40 2ka9 s ILE 34 Cb -0.23 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.33 2ka9 s ILE 34 CO 0.27 0.05 0.07 0.72 -0.10 0.00 0.00 174.94 175.95 2ka9 s PHE 35 N -1.71 -0.01 0.47 3.97 -0.71 0.31 -3.64 117.98 116.65 2ka9 s PHE 35 Ca 0.50 0.04 -0.22 0.00 -1.04 0.00 0.00 56.93 56.21 2ka9 s PHE 35 Cb -0.15 -0.02 -0.07 0.00 -1.21 0.00 0.00 43.02 41.57 2ka9 s PHE 35 CO 0.20 -0.10 1.16 0.42 -1.34 0.00 0.00 175.22 175.56 2ka9 s ILE 36 N -0.39 3.12 -0.21 -4.49 1.01 0.31 -0.94 121.20 119.61 2ka9 s ILE 36 Ca -0.05 0.82 0.11 0.00 0.00 0.00 0.00 60.65 61.53 2ka9 s ILE 36 Cb -0.03 -3.40 -0.21 0.00 0.01 0.00 0.00 42.46 38.83 2ka9 s ILE 36 CO 0.00 -0.03 -0.04 0.41 0.00 0.00 0.00 174.94 175.28 2ka9 n THR 37 N -0.60 1.34 -3.63 2.92 -1.04 0.15 -1.97 114.28 111.45 2ka9 n THR 37 Ca 0.08 -0.70 -0.07 0.00 -2.04 0.00 0.00 64.05 61.32 2ka9 n THR 37 Cb 0.48 -0.83 -0.06 0.00 -1.82 0.00 0.00 70.33 68.10 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 -2.47 0.36 -0.06 -2.82 2.36 -1.23 -4.86 119.74 111.01 2ka9 s LYS 38 Ca -0.18 0.28 -0.01 0.00 -2.55 0.00 0.00 55.97 53.51 2ka9 s LYS 38 Cb 0.07 0.17 -0.03 0.00 -1.05 0.00 0.00 37.83 36.99 2ka9 s LYS 38 CO 0.69 -0.07 0.00 0.42 1.55 0.00 0.00 175.35 177.94 2ka9 s ILE 39 N -0.30 4.26 0.06 5.43 1.01 -1.26 -1.15 121.20 129.24 2ka9 s ILE 39 Ca 0.04 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.08 2ka9 s ILE 39 Cb -0.03 -2.82 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 2ka9 s ILE 39 CO -0.07 0.54 0.78 -0.63 0.00 0.00 0.00 174.94 175.55 2ka9 s ILE 40 N -0.95 4.68 -1.02 2.92 1.01 -0.72 -4.95 121.20 122.17 2ka9 s ILE 40 Ca 0.15 1.66 -0.12 0.00 0.00 0.00 0.00 60.65 62.34 2ka9 s ILE 40 Cb -0.11 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 2ka9 s ILE 40 CO 0.05 0.38 2.18 -0.81 0.00 0.00 0.00 174.94 176.74 2ka9 n PRO 41 N 2.68 2.22 0.00 2.79 -0.04 -1.26 -3.22 135.00 138.16 2ka9 n PRO 41 Ca -0.03 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 2ka9 n PRO 41 Cb 0.50 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.98 -0.02 3.23 0.55 0.00 -1.26 -5.14 105.19 106.53 2ka9 n GLY 42 Ca 0.51 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.06 -3.61 0.24 -0.02 0.00 -1.20 -4.90 105.19 94.64 2ka9 n GLY 43 Ca 0.00 -1.58 0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.48 1.00 0.14 4.61 0.00 -0.40 -3.31 119.26 117.83 2ka9 h ALA 44 Ca -0.42 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.51 2ka9 h ALA 44 Cb 1.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2ka9 h ALA 44 CO 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 179.25 179.10 2ka9 h ALA 45 N 2.02 -0.76 0.00 0.00 0.00 -1.65 0.69 119.26 119.56 2ka9 h ALA 45 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2ka9 h ALA 45 Cb 0.80 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2ka9 h ALA 45 CO 0.00 -0.99 -0.20 0.00 0.00 0.00 0.00 179.25 178.06 2ka9 h ALA 46 N -0.20 1.52 -0.12 0.00 0.00 -1.82 0.78 119.26 119.42 2ka9 h ALA 46 Ca 0.02 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 2ka9 h ALA 46 Cb 0.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2ka9 h ALA 46 CO -0.23 0.25 -0.61 1.96 0.00 0.00 0.00 179.25 180.62 2ka9 h GLN 47 N 0.00 0.43 0.00 0.00 1.08 -1.35 -3.01 115.11 112.27 2ka9 h GLN 47 Ca -0.00 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 2ka9 h GLN 47 Cb 0.39 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2ka9 h GLN 47 CO 0.03 0.91 -0.86 -0.44 -0.95 0.00 0.00 178.83 177.52 2ka9 h ASP 48 N 0.32 0.00 -2.53 1.46 3.32 0.12 -3.49 116.42 115.62 2ka9 h ASP 48 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2ka9 h ASP 48 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2ka9 h ASP 48 CO 0.11 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 2ka9 n GLY 49 N 1.17 -0.52 1.17 2.75 0.00 0.27 -4.86 105.19 105.17 2ka9 n GLY 49 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2ka9 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka9 n ARG 50 N -0.41 2.41 0.00 1.61 3.00 -0.99 -4.97 116.66 117.31 2ka9 n ARG 50 Ca 0.00 -1.31 0.00 0.00 -0.01 0.00 0.00 57.85 56.53 2ka9 n ARG 50 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 30.70 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 0.17 0.00 -4.69 0.55 -0.00 -1.26 -4.36 117.00 107.41 2ka9 n LEU 51 Ca 0.14 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 55.71 2ka9 n LEU 51 Cb 0.72 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.10 2ka9 n LEU 51 CO 0.16 0.00 1.30 -1.14 -0.00 0.00 0.00 177.39 177.71 2ka9 n ARG 52 N 0.00 2.41 -0.31 1.47 0.00 -1.26 -4.88 116.66 114.09 2ka9 n ARG 52 Ca 0.00 0.87 -0.00 0.00 -0.00 0.00 0.00 57.85 58.72 2ka9 n ARG 52 Cb 0.00 -2.68 0.13 0.00 0.00 0.00 0.00 32.46 29.91 2ka9 n ARG 52 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2ka9 h VAL 53 N 3.92 1.08 0.00 5.15 -1.51 -1.79 -1.33 116.25 121.78 2ka9 h VAL 53 Ca -0.45 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 2ka9 h VAL 53 Cb 1.24 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2ka9 h VAL 53 CO 0.92 0.19 0.41 0.78 -1.23 0.00 0.00 177.57 178.64 2ka9 h ASN 54 N 1.02 0.00 -3.87 4.19 2.35 -1.73 0.90 115.58 118.44 2ka9 h ASN 54 Ca 0.36 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.55 2ka9 h ASN 54 Cb 0.10 0.00 0.16 0.00 0.05 0.00 0.00 38.32 38.64 2ka9 h ASN 54 CO -0.15 0.00 0.31 -0.90 -1.65 0.00 0.00 177.43 175.04 2ka9 n ASP 55 N -2.37 1.35 -4.18 5.81 5.75 -0.50 -4.50 116.55 117.91 2ka9 n ASP 55 Ca -0.01 0.79 -0.31 0.00 -0.01 0.00 0.00 54.79 55.26 2ka9 n ASP 55 Cb 0.44 -1.47 -0.17 0.00 -1.03 0.00 0.00 41.12 38.88 2ka9 n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2ka9 s SER 56 N -1.38 2.84 -0.71 -1.12 1.04 -0.90 -2.95 113.70 110.51 2ka9 s SER 56 Ca 0.79 -0.51 -0.26 0.00 0.48 0.00 0.00 55.95 56.46 2ka9 s SER 56 Cb -0.39 -1.30 -0.06 0.00 0.10 0.00 0.00 66.02 64.37 2ka9 s SER 56 CO 0.44 0.13 2.11 0.27 0.98 0.00 0.00 173.24 177.17 2ka9 s ILE 57 N 0.42 3.24 0.57 -1.02 -0.00 -1.24 0.11 121.20 123.28 2ka9 s ILE 57 Ca -0.18 -0.06 0.26 0.00 -0.00 0.00 0.00 60.65 60.68 2ka9 s ILE 57 Cb -0.17 -3.58 0.34 0.00 -0.00 0.00 0.00 42.46 39.05 2ka9 s ILE 57 CO 0.08 -0.55 2.16 -0.07 -0.00 0.00 0.00 174.94 176.55 2ka9 h LEU 58 N 18.82 0.00 -7.00 0.37 3.38 -0.19 -3.28 115.31 127.41 2ka9 h LEU 58 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2ka9 h LEU 58 Cb 1.10 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 2ka9 h LEU 58 CO 1.16 0.00 0.28 0.12 0.09 0.00 0.00 178.44 180.09 2ka9 s PHE 59 N -4.77 -0.61 0.40 1.13 2.19 0.58 -2.29 117.98 114.60 2ka9 s PHE 59 Ca -0.05 1.27 0.04 0.00 0.33 0.00 0.00 56.93 58.53 2ka9 s PHE 59 Cb 0.16 0.37 0.04 0.00 -1.31 0.00 0.00 43.02 42.28 2ka9 s PHE 59 CO 0.59 -0.43 0.34 1.55 1.83 0.00 0.00 175.22 179.10 2ka9 n VAL 60 N 1.61 0.00 -0.03 3.12 3.14 0.30 0.14 118.33 126.61 2ka9 n VAL 60 Ca -0.15 -1.53 0.00 0.00 -2.96 0.00 0.00 64.34 59.70 2ka9 n VAL 60 Cb 0.56 -0.24 0.01 0.00 -1.06 0.00 0.00 33.84 33.11 2ka9 n VAL 60 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2ka9 n ASN 61 N -1.98 -0.05 -0.74 6.55 4.13 -0.31 -2.73 115.26 120.13 2ka9 n ASN 61 Ca 0.01 0.15 -0.03 0.00 1.68 0.00 0.00 54.58 56.39 2ka9 n ASN 61 Cb 0.44 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.61 2ka9 n ASN 61 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ka9 n GLU 62 N -4.14 0.00 -5.02 3.52 1.02 -1.26 -4.99 120.64 109.77 2ka9 n GLU 62 Ca 0.01 -0.49 -0.29 0.00 -0.02 0.00 0.00 57.16 56.37 2ka9 n GLU 62 Cb 0.04 0.25 -0.15 0.00 -0.02 0.00 0.00 31.44 31.56 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka9 s VAL 63 N 0.00 1.93 -1.10 2.62 1.01 -1.11 -5.07 120.40 118.69 2ka9 s VAL 63 Ca 0.00 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 2ka9 s VAL 63 Cb 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.80 2ka9 s VAL 63 CO 0.00 0.43 1.55 1.51 0.00 0.00 0.00 175.10 178.59 2ka9 s ASP 64 N -0.86 6.54 -0.32 3.32 -4.77 -1.26 -0.54 116.67 118.78 2ka9 s ASP 64 Ca 0.10 -1.71 0.03 0.00 -3.30 0.00 0.00 52.55 47.67 2ka9 s ASP 64 Cb -0.09 -2.57 0.47 0.00 -1.09 0.00 0.00 42.92 39.63 2ka9 s ASP 64 CO 0.00 -1.47 1.66 1.33 0.70 0.00 0.00 175.17 177.40 2ka9 n VAL 65 N 6.79 2.58 1.83 2.11 0.24 -1.23 -4.30 118.33 126.35 2ka9 n VAL 65 Ca 0.38 -1.39 0.13 0.00 -2.04 0.00 0.00 64.34 61.42 2ka9 n VAL 65 Cb 0.49 -0.65 0.68 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.64 1.19 0.00 7.34 1.85 -0.97 -4.31 116.66 121.11 2ka9 n ARG 66 Ca 0.42 -0.28 0.00 0.00 -1.00 0.00 0.00 57.85 57.00 2ka9 n ARG 66 Cb 1.30 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 31.30 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 -0.59 0.00 -4.97 2.89 -0.00 -1.26 -4.09 120.64 112.62 2ka9 n GLU 67 Ca 0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 57.16 57.04 2ka9 n GLU 67 Cb 0.16 0.00 -0.14 0.00 -0.00 0.00 0.00 31.44 31.45 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2ka9 s VAL 68 N 0.00 2.34 0.99 3.84 -7.23 -1.22 -4.54 120.40 114.59 2ka9 s VAL 68 Ca 0.00 -1.20 -0.15 0.00 -1.81 0.00 0.00 61.98 58.82 2ka9 s VAL 68 Cb 0.00 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 35.05 2ka9 s VAL 68 CO 0.00 0.45 0.06 0.41 -0.31 0.00 0.00 175.10 175.71 2ka9 n THR 69 N 1.98 0.00 -0.02 5.32 -1.04 -1.26 -1.54 114.28 117.71 2ka9 n THR 69 Ca -0.17 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 61.49 2ka9 n THR 69 Cb 0.52 -0.49 -0.05 0.00 -1.82 0.00 0.00 70.33 68.49 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 -1.53 0.18 -0.80 -1.42 2.76 -1.87 -1.03 115.15 111.44 2ka9 h HIS 70 Ca -0.45 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 57.73 2ka9 h HIS 70 Cb 1.30 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 30.16 2ka9 h HIS 70 CO 0.31 0.13 0.52 1.03 -1.30 0.00 0.00 177.93 178.61 2ka9 h SER 71 N 0.17 0.93 -0.10 3.26 0.87 -1.98 0.18 113.55 116.87 2ka9 h SER 71 Ca 0.05 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 2ka9 h SER 71 Cb -0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2ka9 h SER 71 CO -0.01 0.68 -0.39 0.00 -0.53 0.00 0.00 176.83 176.58 2ka9 h ALA 72 N 1.49 0.82 -0.17 6.23 0.00 -1.82 0.13 119.26 125.94 2ka9 h ALA 72 Ca 0.29 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2ka9 h ALA 72 Cb -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2ka9 h ALA 72 CO -0.06 0.65 -0.43 0.00 0.00 0.00 0.00 179.25 179.40 2ka9 h ALA 73 N 1.05 0.28 -0.41 0.00 0.00 -0.55 -1.42 119.26 118.21 2ka9 h ALA 73 Ca 0.05 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2ka9 h ALA 73 Cb 0.90 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2ka9 h ALA 73 CO 0.08 0.41 -0.00 0.28 0.00 0.00 0.00 179.25 180.01 2ka9 h VAL 74 N 0.25 1.22 -0.14 0.00 2.07 -0.61 -1.56 116.25 117.48 2ka9 h VAL 74 Ca -0.01 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 2ka9 h VAL 74 Cb 1.05 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2ka9 h VAL 74 CO 0.09 0.31 -0.44 -0.33 0.02 0.00 0.00 177.57 177.23 2ka9 h GLU 75 N 0.62 0.32 -0.29 1.57 3.07 -0.87 0.44 114.58 119.44 2ka9 h GLU 75 Ca 0.13 -0.16 -0.11 0.00 -0.50 0.00 0.00 59.36 58.71 2ka9 h GLU 75 Cb 0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2ka9 h GLU 75 CO 0.01 0.70 -0.24 0.00 -1.40 0.00 0.00 179.01 178.09 2ka9 h ALA 76 N 1.28 0.42 0.00 3.43 0.00 -0.65 0.18 119.26 123.92 2ka9 h ALA 76 Ca 0.02 -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 0.39 -0.58 1.37 0.00 0.00 0.00 179.25 180.51 2ka9 h LEU 77 N 0.41 0.00 -0.19 0.00 8.10 -1.22 -0.64 115.31 121.77 2ka9 h LEU 77 Ca 0.05 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.86 2ka9 h LEU 77 Cb 0.80 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.02 2ka9 h LEU 77 CO 0.06 0.58 -0.61 0.50 -4.11 0.00 0.00 178.44 174.86 2ka9 h LYS 78 N 0.00 0.75 -0.73 0.17 3.64 0.06 -3.15 116.57 117.31 2ka9 h LYS 78 Ca -0.01 -0.55 -0.34 0.00 -1.27 0.00 0.00 60.65 58.48 2ka9 h LYS 78 Cb 1.30 0.09 -0.21 0.00 -0.41 0.00 0.00 32.23 33.01 2ka9 h LYS 78 CO 0.08 1.17 0.34 -1.91 -2.27 0.00 0.00 179.45 176.86 2ka9 n GLU 79 N -4.06 2.42 0.03 1.90 2.13 0.62 -4.33 120.64 119.35 2ka9 n GLU 79 Ca -0.06 -3.07 0.11 0.00 0.66 0.00 0.00 57.16 54.80 2ka9 n GLU 79 Cb 0.66 -2.07 -0.10 0.00 0.27 0.00 0.00 31.44 30.20 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 -0.94 2.86 0.00 4.31 0.00 -0.25 -4.96 120.51 121.53 2ka9 n ALA 80 Ca 0.47 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2ka9 n ALA 80 Cb 1.41 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 1.26 -1.33 1.37 0.00 0.00 -1.26 -4.51 105.19 100.71 2ka9 n GLY 81 Ca -0.02 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.07 2ka9 n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ka9 n SER 82 N 0.00 3.97 -3.29 1.61 7.64 -1.26 -4.71 113.62 117.57 2ka9 n SER 82 Ca 0.00 -2.01 -0.09 0.00 1.01 0.00 0.00 58.87 57.78 2ka9 n SER 82 Cb 0.00 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.65 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 -1.03 -0.63 -0.03 0.44 1.01 -1.26 0.13 121.20 119.83 2ka9 s ILE 83 Ca 0.49 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.50 2ka9 s ILE 83 Cb 0.26 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 2ka9 s ILE 83 CO 0.33 -0.31 0.52 0.68 0.00 0.00 0.00 174.94 176.16 2ka9 s VAL 84 N 2.00 5.00 -0.35 2.92 -7.23 -1.06 -4.90 120.40 116.78 2ka9 s VAL 84 Ca 0.14 1.08 0.01 0.00 -1.81 0.00 0.00 61.98 61.39 2ka9 s VAL 84 Cb -0.11 -3.85 0.09 0.00 0.56 0.00 0.00 36.38 33.07 2ka9 s VAL 84 CO -0.15 0.43 0.09 -0.13 -0.31 0.00 0.00 175.10 175.03 2ka9 s ARG 85 N -0.20 1.86 0.12 4.82 1.81 -1.26 -1.38 118.95 124.73 2ka9 s ARG 85 Ca 0.28 -1.73 0.06 0.00 -1.72 0.00 0.00 55.73 52.62 2ka9 s ARG 85 Cb -0.17 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 30.97 2ka9 s ARG 85 CO 0.15 -0.92 -0.15 -0.48 -0.68 0.00 0.00 175.30 173.22 2ka9 s LEU 86 N 1.05 2.40 -0.32 2.53 -0.00 -0.81 -1.17 118.68 122.36 2ka9 s LEU 86 Ca 0.06 -0.80 -0.10 0.00 -0.00 0.00 0.00 54.13 53.29 2ka9 s LEU 86 Cb -0.21 -0.59 -0.01 0.00 -0.00 0.00 0.00 46.19 45.39 2ka9 s LEU 86 CO -0.05 -0.12 0.17 -0.47 -0.00 0.00 0.00 176.35 175.87 2ka9 s TYR 87 N -2.04 3.19 0.38 3.48 6.14 0.37 -0.90 117.35 127.97 2ka9 s TYR 87 Ca 0.09 -0.55 0.08 0.00 0.64 0.00 0.00 57.07 57.33 2ka9 s TYR 87 Cb -0.05 -2.37 -0.01 0.00 0.42 0.00 0.00 41.96 39.94 2ka9 s TYR 87 CO 0.03 -0.45 0.41 0.14 0.64 0.00 0.00 175.55 176.32 2ka9 s VAL 88 N 1.62 3.18 -0.24 3.14 -7.23 -0.23 0.46 120.40 121.10 2ka9 s VAL 88 Ca 0.05 -1.23 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 2ka9 s VAL 88 Cb -0.17 -3.11 0.06 0.00 0.56 0.00 0.00 36.38 33.72 2ka9 s VAL 88 CO 0.07 -0.07 -0.05 -0.32 -0.31 0.00 0.00 175.10 174.42 2ka9 s MET 89 N -4.15 1.57 0.05 4.82 1.75 0.12 -2.15 119.30 121.31 2ka9 s MET 89 Ca 0.47 -0.99 0.05 0.00 -1.25 0.00 0.00 55.69 53.98 2ka9 s MET 89 Cb -0.06 -2.57 -0.02 0.00 2.84 0.00 0.00 34.83 35.01 2ka9 s MET 89 CO 0.29 -0.61 -0.15 -0.98 -0.65 0.00 0.00 175.02 172.92 2ka9 s ARG 90 N 1.41 0.96 -0.01 4.11 1.04 -0.67 -2.11 118.95 123.67 2ka9 s ARG 90 Ca -0.05 -0.83 -0.27 0.00 -1.04 0.00 0.00 55.73 53.54 2ka9 s ARG 90 Cb -0.19 -0.99 -0.04 0.00 -2.04 0.00 0.00 34.95 31.70 2ka9 s ARG 90 CO -0.07 0.24 0.84 1.03 -0.04 0.00 0.00 175.30 177.31 2ka9 s ARG 91 N -1.30 4.52 -0.59 3.89 3.00 -1.26 -1.93 118.95 125.28 2ka9 s ARG 91 Ca 0.02 1.17 0.05 0.00 0.00 0.00 0.00 55.73 56.96 2ka9 s ARG 91 Cb -0.08 -3.43 0.35 0.00 0.00 0.00 0.00 34.95 31.79 2ka9 s ARG 91 CO 0.02 0.07 1.05 1.63 0.00 0.00 0.00 175.30 178.07 2ka9 n LYS 92 N 3.58 3.41 -1.98 3.54 5.02 -1.26 -4.90 118.16 125.57 2ka9 n LYS 92 Ca 0.02 -4.77 -0.43 0.00 -2.02 0.00 0.00 58.31 51.11 2ka9 n LYS 92 Cb 0.51 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.24 2ka9 n LYS 92 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2ka9 s PRO 93 N -3.55 3.60 -0.18 1.97 0.04 -1.26 -4.73 135.00 130.88 2ka9 s PRO 93 Ca 0.48 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.10 2ka9 s PRO 93 Cb 0.30 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 2ka9 s PRO 93 CO -0.15 -1.54 0.32 -1.25 0.04 0.00 0.00 177.00 174.42 2ka9 s PRO 94 N 5.17 4.22 -0.11 0.56 0.04 -1.26 -4.68 135.00 138.93 2ka9 s PRO 94 Ca 0.79 0.11 0.05 0.00 0.04 0.00 0.00 61.00 61.99 2ka9 s PRO 94 Cb -0.27 -3.47 0.33 0.00 0.04 0.00 0.00 34.50 31.13 2ka9 s PRO 94 CO 0.32 0.13 1.07 0.00 0.04 0.00 0.00 177.00 178.56 2ka9 n ALA 95 N 3.94 3.19 -2.82 8.56 0.00 -1.26 -4.73 120.51 127.39 2ka9 n ALA 95 Ca -0.11 -0.85 -0.44 0.00 0.00 0.00 0.00 53.44 52.04 2ka9 n ALA 95 Cb 0.52 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.66 3.02 -0.15 0.00 2.12 -1.24 -3.86 118.70 116.94 2ka9 s GLU 96 Ca 0.22 -1.20 0.02 0.00 0.36 0.00 0.00 54.97 54.38 2ka9 s GLU 96 Cb 0.17 -4.12 0.01 0.00 0.26 0.00 0.00 34.13 30.46 2ka9 s GLU 96 CO 0.06 -1.07 -0.21 0.21 -0.54 0.00 0.00 175.26 173.70 2ka9 s LYS 97 N 1.94 2.98 -0.36 4.30 2.36 -1.24 -4.91 119.74 124.82 2ka9 s LYS 97 Ca 0.07 -0.84 -0.25 0.00 -2.55 0.00 0.00 55.97 52.40 2ka9 s LYS 97 Cb -0.22 -2.43 0.01 0.00 -1.05 0.00 0.00 37.83 34.13 2ka9 s LYS 97 CO 0.08 -0.05 0.90 0.54 1.55 0.00 0.00 175.35 178.37 2ka9 s VAL 98 N 0.90 4.62 0.41 4.02 0.11 -1.26 -0.91 120.40 128.29 2ka9 s VAL 98 Ca -0.05 1.15 0.05 0.00 -2.93 0.00 0.00 61.98 60.19 2ka9 s VAL 98 Cb -0.15 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.40 2ka9 s VAL 98 CO -0.04 -0.51 0.58 -0.04 -3.33 0.00 0.00 175.10 171.76 2ka9 s MET 99 N 3.39 2.97 -0.23 1.54 -1.94 0.28 -4.96 119.30 120.35 2ka9 s MET 99 Ca 0.37 -0.91 -0.03 0.00 -1.71 0.00 0.00 55.69 53.41 2ka9 s MET 99 Cb -0.12 -2.70 0.07 0.00 2.01 0.00 0.00 34.83 34.09 2ka9 s MET 99 CO 0.18 -0.19 0.07 -1.21 -0.01 0.00 0.00 175.02 173.86 2ka9 s GLU 100 N -4.38 0.53 0.19 2.03 2.02 -1.26 -1.42 118.70 116.41 2ka9 s GLU 100 Ca 0.49 -0.53 0.09 0.00 0.02 0.00 0.00 54.97 55.04 2ka9 s GLU 100 Cb -0.10 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 2ka9 s GLU 100 CO 0.34 -0.77 -0.08 0.42 0.02 0.00 0.00 175.26 175.19 2ka9 s ILE 101 N 1.88 3.24 -0.20 -1.63 -1.09 -0.13 -4.96 121.20 118.31 2ka9 s ILE 101 Ca 0.03 -1.69 -0.02 0.00 -2.23 0.00 0.00 60.65 56.73 2ka9 s ILE 101 Cb -0.17 -2.62 -0.00 0.00 -1.58 0.00 0.00 42.46 38.09 2ka9 s ILE 101 CO -0.16 -0.15 -0.09 -0.54 -1.23 0.00 0.00 174.94 172.77 2ka9 s LYS 102 N -2.96 3.28 -0.19 2.79 1.02 -1.26 0.11 119.74 122.53 2ka9 s LYS 102 Ca 0.26 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.58 2ka9 s LYS 102 Cb -0.08 -2.86 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 2ka9 s LYS 102 CO 0.16 -0.16 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.08 2ka9 s LEU 103 N 1.33 2.34 0.05 3.17 0.20 0.11 -3.37 118.68 122.51 2ka9 s LEU 103 Ca 0.04 -0.73 -0.09 0.00 0.69 0.00 0.00 54.13 54.04 2ka9 s LEU 103 Cb -0.14 -1.50 -0.05 0.00 -0.43 0.00 0.00 46.19 44.06 2ka9 s LEU 103 CO -0.05 -0.03 0.36 0.27 -0.29 0.00 0.00 176.35 176.62 2ka9 s ILE 104 N 1.28 5.15 0.69 6.68 -4.36 -1.26 -1.01 121.20 128.37 2ka9 s ILE 104 Ca 0.03 0.39 -0.17 0.00 -0.26 0.00 0.00 60.65 60.64 2ka9 s ILE 104 Cb -0.14 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 39.95 2ka9 s ILE 104 CO -0.11 0.33 1.18 1.17 0.24 0.00 0.00 174.94 177.75 2ka9 n LYS 105 N 1.02 0.81 -4.26 0.37 3.00 0.30 -4.51 118.16 114.88 2ka9 n LYS 105 Ca -0.09 0.33 -0.15 0.00 -0.00 0.00 0.00 58.31 58.40 2ka9 n LYS 105 Cb 0.52 -2.42 -0.10 0.00 0.00 0.00 0.00 35.03 33.03 2ka9 n LYS 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2ka9 s GLY 106 N -1.55 1.13 0.28 3.14 0.00 0.36 -4.95 107.32 105.72 2ka9 s GLY 106 Ca 0.79 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2ka9 s GLY 106 CO 0.45 -1.62 1.82 -2.55 0.00 0.00 0.00 173.10 171.20 2ka9 h PRO 107 N 2.74 0.88 -0.69 2.90 0.11 -1.99 0.42 132.00 136.37 2ka9 h PRO 107 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2ka9 h PRO 107 Cb 1.20 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2ka9 h PRO 107 CO 0.63 0.58 0.00 1.17 -0.21 0.00 0.00 178.00 180.17 2ka9 n LYS 108 N -4.68 3.85 0.00 1.05 4.81 -1.26 -5.02 118.16 116.91 2ka9 n LYS 108 Ca 0.19 -2.33 0.00 0.00 -0.87 0.00 0.00 58.31 55.30 2ka9 n LYS 108 Cb 0.38 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.38 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 0.49 0.52 0.15 3.14 0.00 0.15 -4.37 105.19 105.27 2ka9 n GLY 109 Ca 0.21 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.76 0.99 4.07 -1.88 1.05 115.31 116.78 2ka9 h LEU 110 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 2ka9 h LEU 110 Cb 0.00 0.00 0.07 0.00 1.08 0.00 0.00 40.66 41.81 2ka9 h LEU 110 CO 0.00 0.01 -0.32 0.61 -1.08 0.00 0.00 178.44 177.66 2ka9 n GLY 111 N 1.15 -0.09 3.64 0.83 0.00 -1.26 -2.92 105.19 106.53 2ka9 n GLY 111 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.14 -0.09 -0.26 1.61 -0.71 -1.26 -4.00 117.98 110.12 2ka9 s PHE 112 Ca 0.17 0.19 -0.05 0.00 -1.04 0.00 0.00 56.93 56.20 2ka9 s PHE 112 Cb -0.02 0.48 -0.00 0.00 -1.21 0.00 0.00 43.02 42.27 2ka9 s PHE 112 CO 0.32 -0.07 0.02 0.45 -1.34 0.00 0.00 175.22 174.61 2ka9 s SER 113 N -0.57 4.76 0.11 1.98 0.15 0.31 -4.99 113.70 115.46 2ka9 s SER 113 Ca 0.07 -0.54 0.05 0.00 0.70 0.00 0.00 55.95 56.23 2ka9 s SER 113 Cb -0.03 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 2ka9 s SER 113 CO -0.10 -0.10 -0.12 0.27 1.20 0.00 0.00 173.24 174.38 2ka9 s ILE 114 N 1.49 1.17 -0.16 6.45 -4.36 -1.26 0.14 121.20 124.67 2ka9 s ILE 114 Ca 0.04 -1.66 -0.07 0.00 -0.26 0.00 0.00 60.65 58.70 2ka9 s ILE 114 Cb -0.16 -1.44 0.07 0.00 1.25 0.00 0.00 42.46 42.18 2ka9 s ILE 114 CO -0.00 -0.46 0.35 0.00 0.24 0.00 0.00 174.94 175.06 2ka9 s ALA 115 N -2.21 -0.87 0.19 2.27 0.00 -0.48 -4.93 121.76 115.73 2ka9 s ALA 115 Ca 0.07 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.27 2ka9 s ALA 115 Cb -0.04 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.09 2ka9 s ALA 115 CO 0.02 -0.47 0.33 0.41 0.00 0.00 0.00 175.76 176.05 2ka9 n GLY 116 N 4.81 2.02 7.00 0.00 0.00 -1.08 -2.65 105.19 115.30 2ka9 n GLY 116 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.29 -1.31 3.85 -0.02 0.00 0.68 -4.21 105.19 103.90 2ka9 n GLY 117 Ca -0.02 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 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 4.66 0.00 1.61 1.01 -1.26 -2.40 120.40 124.02 2ka9 s VAL 118 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2ka9 s VAL 118 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2ka9 s VAL 118 CO 0.00 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.51 2ka9 n GLY 119 N -0.40 2.81 2.73 4.51 0.00 -1.26 -1.10 105.19 112.48 2ka9 n GLY 119 Ca 0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 0.39 -2.46 0.04 1.61 2.85 -1.25 -4.99 115.26 111.44 2ka9 n ASN 120 Ca 0.00 -2.89 0.07 0.00 -0.11 0.00 0.00 54.58 51.64 2ka9 n ASN 120 Cb 0.00 1.53 0.30 0.00 1.24 0.00 0.00 39.78 42.85 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ka9 n GLN 121 N 1.60 0.05 0.00 1.20 6.02 -1.01 -2.63 117.38 122.61 2ka9 n GLN 121 Ca 0.07 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 2ka9 n GLN 121 Cb 0.65 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2ka9 n GLN 121 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2ka9 n HIS 122 N -1.70 0.00 -3.43 1.08 -0.00 -1.26 -4.36 115.22 105.56 2ka9 n HIS 122 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.36 2ka9 n HIS 122 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.06 2ka9 n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ka9 s ILE 123 N 0.00 5.01 -1.09 3.57 1.01 -1.26 -4.98 121.20 123.45 2ka9 s ILE 123 Ca 0.00 0.92 -0.08 0.00 0.00 0.00 0.00 60.65 61.49 2ka9 s ILE 123 Cb 0.00 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 2ka9 s ILE 123 CO 0.00 0.53 2.30 -0.81 0.00 0.00 0.00 174.94 176.96 2ka9 n PRO 124 N 2.14 2.46 0.00 2.79 -0.04 -1.26 -3.63 135.00 137.45 2ka9 n PRO 124 Ca -0.12 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 2ka9 n PRO 124 Cb 0.52 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 3.78 0.19 3.02 0.55 0.00 -1.26 -5.14 105.19 106.32 2ka9 n GLY 125 Ca 0.53 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 46.31 2ka9 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 126 N 0.00 -0.36 0.64 1.61 1.01 -1.24 -5.01 116.67 113.32 2ka9 s ASP 126 Ca 0.00 -0.03 0.36 0.00 0.71 0.00 0.00 52.55 53.58 2ka9 s ASP 126 Cb 0.00 0.95 2.00 0.00 1.01 0.00 0.00 42.92 46.88 2ka9 s ASP 126 CO 0.00 -0.06 2.20 0.78 0.21 0.00 0.00 175.17 178.30 2ka9 h ASN 127 N 6.59 0.00 -3.75 0.27 2.35 -1.88 -3.42 115.58 115.74 2ka9 h ASN 127 Ca -0.07 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.12 2ka9 h ASN 127 Cb 1.20 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.69 2ka9 h ASN 127 CO -0.09 0.00 0.62 -1.20 -1.65 0.00 0.00 177.43 175.11 2ka9 n SER 128 N -3.33 3.09 -4.70 5.81 7.64 -1.26 -0.23 113.62 120.64 2ka9 n SER 128 Ca -0.02 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.59 2ka9 n SER 128 Cb 0.20 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 61.81 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 129 N -1.17 4.13 0.07 0.44 1.01 -1.21 -4.51 121.20 119.97 2ka9 s ILE 129 Ca 0.59 1.50 0.09 0.00 0.00 0.00 0.00 60.65 62.83 2ka9 s ILE 129 Cb -0.49 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 2ka9 s ILE 129 CO 0.59 0.06 -0.24 -0.31 0.00 0.00 0.00 174.94 175.04 2ka9 s TYR 130 N 1.64 2.06 0.58 3.97 1.51 -1.08 -0.66 117.35 125.36 2ka9 s TYR 130 Ca 0.58 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 56.09 2ka9 s TYR 130 Cb -0.27 -1.19 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 2ka9 s TYR 130 CO 0.26 0.17 1.03 0.08 -1.11 0.00 0.00 175.55 175.98 2ka9 s VAL 131 N -0.91 4.17 0.09 0.71 1.01 0.15 -1.39 120.40 124.24 2ka9 s VAL 131 Ca 0.10 0.97 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 2ka9 s VAL 131 Cb -0.10 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2ka9 s VAL 131 CO 0.03 -0.66 -0.01 0.35 0.00 0.00 0.00 175.10 174.81 2ka9 n THR 132 N -2.04 1.15 -3.83 3.92 -2.24 0.37 -3.71 114.28 107.90 2ka9 n THR 132 Ca 0.08 0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 62.11 2ka9 n THR 132 Cb 0.53 -1.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.07 2ka9 n THR 132 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ka9 s LYS 133 N -2.02 0.44 0.00 -0.78 2.36 -1.04 -4.71 119.74 114.01 2ka9 s LYS 133 Ca -0.01 -0.13 0.02 0.00 -2.55 0.00 0.00 55.97 53.31 2ka9 s LYS 133 Cb 0.00 0.19 -0.01 0.00 -1.05 0.00 0.00 37.83 36.97 2ka9 s LYS 133 CO 0.01 -0.10 -0.08 0.42 1.55 0.00 0.00 175.35 177.15 2ka9 s ILE 134 N -0.88 0.59 0.93 5.43 1.01 -1.26 0.12 121.20 127.13 2ka9 s ILE 134 Ca -0.10 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 2ka9 s ILE 134 Cb -0.05 -0.52 0.16 0.00 0.01 0.00 0.00 42.46 42.05 2ka9 s ILE 134 CO 0.02 0.09 1.21 -0.63 0.00 0.00 0.00 174.94 175.63 2ka9 s ILE 135 N -0.35 1.96 0.17 2.92 1.01 -1.26 -5.03 121.20 120.64 2ka9 s ILE 135 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 2ka9 s ILE 135 Cb -0.04 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 2ka9 s ILE 135 CO -0.00 0.00 0.37 -1.61 0.00 0.00 0.00 174.94 173.69 2ka9 s GLU 136 N -5.59 3.53 -1.18 2.79 2.02 -1.26 -4.31 118.70 114.69 2ka9 s GLU 136 Ca 0.67 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 55.34 2ka9 s GLU 136 Cb -0.09 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.28 2ka9 s GLU 136 CO 0.52 0.44 0.12 0.41 0.02 0.00 0.00 175.26 176.77 2ka9 n GLY 137 N -0.41 -0.50 0.00 -1.39 0.00 -1.26 -4.95 105.19 96.68 2ka9 n GLY 137 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.93 0.79 0.09 -0.02 0.00 -1.26 -4.95 105.19 98.91 2ka9 n GLY 138 Ca -0.13 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.64 -0.13 -0.09 4.61 0.00 -1.85 -3.11 119.26 118.03 2ka9 h ALA 139 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2ka9 h ALA 139 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2ka9 h ALA 139 CO 0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 179.25 178.75 2ka9 h ALA 140 N -1.13 1.19 0.06 0.00 0.00 -1.76 0.73 119.26 118.36 2ka9 h ALA 140 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ka9 h ALA 140 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ka9 h ALA 140 CO 0.02 0.55 -0.07 1.25 0.00 0.00 0.00 179.25 181.01 2ka9 h HIS 141 N 0.17 -0.17 0.11 0.00 6.17 -1.80 1.59 115.15 121.23 2ka9 h HIS 141 Ca 0.02 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 2ka9 h HIS 141 Cb 0.75 0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.75 2ka9 h HIS 141 CO 0.01 -0.10 -0.05 0.87 0.71 0.00 0.00 177.93 179.36 2ka9 h LYS 142 N -0.14 -0.14 0.00 5.26 1.57 -1.46 -2.97 116.57 118.68 2ka9 h LYS 142 Ca 0.01 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ka9 h LYS 142 Cb 0.14 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2ka9 h LYS 142 CO -0.02 0.35 -0.03 0.22 -0.57 0.00 0.00 179.45 179.40 2ka9 h ASP 143 N -0.79 0.00 -0.15 0.86 3.58 -0.87 -3.38 116.42 115.67 2ka9 h ASP 143 Ca -0.02 -0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.41 2ka9 h ASP 143 Cb 0.56 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 2ka9 h ASP 143 CO 0.02 0.55 -0.24 1.23 -2.88 0.00 0.00 179.24 177.93 2ka9 h GLY 144 N -1.00 -0.23 -0.49 -0.78 0.00 0.19 -3.44 103.07 97.33 2ka9 h GLY 144 Ca -0.00 0.29 -0.21 0.00 0.00 0.00 0.00 47.33 47.41 2ka9 h GLY 144 CO -0.00 -0.20 -0.19 0.54 0.00 0.00 0.00 176.54 176.69 2ka9 n ARG 145 N -5.37 -1.24 -3.04 4.80 5.12 0.26 -4.84 116.66 112.36 2ka9 n ARG 145 Ca -0.02 0.81 -0.44 0.00 -1.93 0.00 0.00 57.85 56.27 2ka9 n ARG 145 Cb 0.28 -4.97 0.00 0.00 -1.16 0.00 0.00 32.46 26.61 2ka9 n ARG 145 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2ka9 n LEU 146 N -1.16 5.54 -4.36 0.55 -0.00 -1.26 -5.02 117.00 111.29 2ka9 n LEU 146 Ca -0.10 -4.74 -0.30 0.00 -0.00 0.00 0.00 56.01 50.88 2ka9 n LEU 146 Cb 0.47 -1.53 0.28 0.00 -0.00 0.00 0.00 43.42 42.63 2ka9 n LEU 146 CO 0.16 1.07 0.44 0.00 -0.00 0.00 0.00 177.39 179.06 2ka9 s GLN 147 N 0.13 -2.27 0.08 1.47 -2.07 -1.26 -4.64 119.66 111.10 2ka9 s GLN 147 Ca 0.38 0.40 -0.37 0.00 -1.82 0.00 0.00 55.36 53.95 2ka9 s GLN 147 Cb -0.04 -1.43 -0.17 0.00 -1.09 0.00 0.00 33.01 30.28 2ka9 s GLN 147 CO -0.02 -4.50 1.34 -0.89 -1.32 0.00 0.00 175.29 169.89 2ka9 n ILE 148 N -5.41 0.00 0.00 3.63 5.41 -1.26 -1.98 119.36 119.75 2ka9 n ILE 148 Ca 0.09 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2ka9 n ILE 148 Cb 0.58 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 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 2.51 1.44 3.76 7.39 0.00 -1.24 -5.03 105.19 114.02 2ka9 n GLY 149 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.91 6.58 -0.06 1.61 1.11 -0.84 -4.63 116.67 119.52 2ka9 s ASP 150 Ca 0.00 2.81 0.03 0.00 0.18 0.00 0.00 52.55 55.57 2ka9 s ASP 150 Cb 0.00 -2.65 0.01 0.00 1.07 0.00 0.00 42.92 41.35 2ka9 s ASP 150 CO 0.00 -0.71 -0.15 -1.59 1.18 0.00 0.00 175.17 173.90 2ka9 s LYS 151 N -1.41 1.92 -0.15 8.23 0.00 -1.26 0.34 119.74 127.41 2ka9 s LYS 151 Ca 0.54 -0.53 -0.07 0.00 0.00 0.00 0.00 55.97 55.91 2ka9 s LYS 151 Cb -0.43 -1.57 -0.04 0.00 0.00 0.00 0.00 37.83 35.79 2ka9 s LYS 151 CO 0.53 0.10 0.09 0.42 0.00 0.00 0.00 175.35 176.49 2ka9 s ILE 152 N 0.46 5.03 -2.51 3.79 1.09 0.16 -0.53 121.20 128.70 2ka9 s ILE 152 Ca -0.13 0.04 0.22 0.00 -1.10 0.00 0.00 60.65 59.69 2ka9 s ILE 152 Cb -0.15 -3.23 0.11 0.00 -1.06 0.00 0.00 42.46 38.13 2ka9 s ILE 152 CO 0.04 0.53 1.16 0.00 -0.10 0.00 0.00 174.94 176.57 2ka9 n LEU 153 N 2.84 2.54 0.00 2.97 -0.00 0.28 -3.29 117.00 122.35 2ka9 n LEU 153 Ca -0.18 -0.90 0.00 0.00 -0.00 0.00 0.00 56.01 54.93 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 0.33 0.44 0.00 0.00 -0.00 0.00 0.00 177.39 178.16 2ka9 n ALA 154 N 0.76 0.00 -4.00 1.47 0.00 -1.23 -4.68 120.51 112.84 2ka9 n ALA 154 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 2ka9 n ALA 154 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 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 2.36 0.00 0.00 1.01 -0.95 -0.85 120.40 119.97 2ka9 s VAL 155 Ca 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.64 2ka9 s VAL 155 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2ka9 s VAL 155 CO 0.00 -0.61 0.00 0.59 0.00 0.00 0.00 175.10 175.08 2ka9 n ASN 156 N 4.26 0.00 -0.76 3.32 3.02 0.16 -1.33 115.26 123.93 2ka9 n ASN 156 Ca 0.04 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.55 2ka9 n ASN 156 Cb 0.42 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 2ka9 n ASN 156 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2ka9 n SER 157 N 1.96 -0.58 -4.72 6.41 2.88 -1.26 -4.95 113.62 113.36 2ka9 n SER 157 Ca 0.00 -1.34 -0.27 0.00 -1.33 0.00 0.00 58.87 55.94 2ka9 n SER 157 Cb 0.00 0.17 -0.07 0.00 -0.75 0.00 0.00 64.21 63.57 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ka9 s VAL 158 N 0.00 4.07 -0.76 2.46 1.01 -0.44 -5.07 120.40 121.66 2ka9 s VAL 158 Ca 0.00 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 60.76 2ka9 s VAL 158 Cb 0.00 -3.06 0.21 0.00 0.00 0.00 0.00 36.38 33.53 2ka9 s VAL 158 CO 0.00 -0.10 0.69 0.61 0.00 0.00 0.00 175.10 176.30 2ka9 n GLY 159 N -0.19 4.31 0.78 4.51 0.00 -1.26 -2.25 105.19 111.09 2ka9 n GLY 159 Ca -0.09 -2.65 -0.00 0.00 0.00 0.00 0.00 46.02 43.28 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ka9 n LEU 160 N 1.74 2.09 -1.28 0.99 -0.00 -1.26 -3.33 117.00 115.94 2ka9 n LEU 160 Ca 0.23 -1.05 0.03 0.00 -0.00 0.00 0.00 56.01 55.22 2ka9 n LEU 160 Cb 0.37 -0.51 0.09 0.00 -0.00 0.00 0.00 43.42 43.37 2ka9 n LEU 160 CO 0.35 0.38 0.17 -1.84 -0.00 0.00 0.00 177.39 176.45 2ka9 n GLU 161 N 0.20 0.81 -1.30 1.47 -0.00 -1.26 -4.31 120.64 116.25 2ka9 n GLU 161 Ca 0.02 -2.64 0.02 0.00 -0.00 0.00 0.00 57.16 54.57 2ka9 n GLU 161 Cb 0.41 -0.76 0.01 0.00 -0.00 0.00 0.00 31.44 31.10 2ka9 n GLU 161 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2ka9 n ASP 162 N -0.19 0.68 0.00 -1.84 -0.08 -1.21 -4.86 116.55 109.05 2ka9 n ASP 162 Ca 0.12 -1.98 0.00 0.00 -1.51 0.00 0.00 54.79 51.42 2ka9 n ASP 162 Cb 0.96 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 44.19 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2ka9 n VAL 163 N 0.38 0.00 -3.93 5.18 0.31 -1.26 -5.09 118.33 113.92 2ka9 n VAL 163 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2ka9 n VAL 163 Cb 1.04 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.97 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 -1.18 0.00 0.11 5.55 2.81 -1.26 -4.44 117.12 118.72 2ka9 n MET 164 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 2ka9 n MET 164 Cb 0.00 0.00 0.20 0.00 -0.71 0.00 0.00 33.22 32.71 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 0.97 0.18 -0.04 2.03 2.76 -1.28 -1.71 115.15 118.06 2ka9 h HIS 165 Ca 0.00 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.06 2ka9 h HIS 165 Cb 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.93 2ka9 h HIS 165 CO 0.00 0.63 -0.19 1.49 -1.30 0.00 0.00 177.93 178.56 2ka9 h GLU 166 N 0.12 0.19 -0.27 5.26 4.57 -1.92 -0.45 114.58 122.08 2ka9 h GLU 166 Ca 0.00 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 57.87 2ka9 h GLU 166 Cb 0.95 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2ka9 h GLU 166 CO 0.07 0.82 -0.43 -0.44 -1.18 0.00 0.00 179.01 177.85 2ka9 h ASP 167 N -0.38 0.72 -0.26 1.04 5.19 -1.93 0.41 116.42 121.21 2ka9 h ASP 167 Ca -0.01 -0.34 -0.16 0.00 -0.62 0.00 0.00 57.03 55.90 2ka9 h ASP 167 Cb 0.86 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 2ka9 h ASP 167 CO 0.04 1.05 -0.43 0.00 -3.12 0.00 0.00 179.24 176.78 2ka9 h ALA 168 N 0.97 0.62 -0.23 3.45 0.00 -1.39 0.21 119.26 122.89 2ka9 h ALA 168 Ca 0.04 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 2ka9 h ALA 168 Cb 0.97 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ka9 h ALA 168 CO 0.09 0.67 -0.66 0.28 0.00 0.00 0.00 179.25 179.64 2ka9 h VAL 169 N 0.66 1.28 0.00 0.00 2.07 -0.92 -1.63 116.25 117.71 2ka9 h VAL 169 Ca 0.04 -1.84 -0.12 0.00 0.82 0.00 0.00 66.70 65.60 2ka9 h VAL 169 Cb 1.01 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 2ka9 h VAL 169 CO 0.10 0.59 -0.57 0.00 0.02 0.00 0.00 177.57 177.71 2ka9 h ALA 170 N 0.63 1.03 0.00 1.67 0.00 -0.10 -1.20 119.26 121.30 2ka9 h ALA 170 Ca -0.02 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 2ka9 h ALA 170 Cb 1.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2ka9 h ALA 170 CO 0.14 0.71 -0.81 0.00 0.00 0.00 0.00 179.25 179.29 2ka9 h ALA 171 N 1.43 0.61 0.19 0.00 0.00 -0.50 -0.74 119.26 120.25 2ka9 h ALA 171 Ca -0.01 -0.74 -0.32 0.00 0.00 0.00 0.00 54.91 53.84 2ka9 h ALA 171 Cb 1.03 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.70 2ka9 h ALA 171 CO 0.07 1.02 -1.48 1.37 0.00 0.00 0.00 179.25 180.24 2ka9 h LEU 172 N 0.00 0.62 -0.59 0.00 8.10 -1.16 -3.27 115.31 119.00 2ka9 h LEU 172 Ca -0.01 -0.73 -0.10 0.00 0.11 0.00 0.00 57.88 57.15 2ka9 h LEU 172 Cb 1.48 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.49 2ka9 h LEU 172 CO 0.11 1.59 -0.48 0.07 -4.11 0.00 0.00 178.44 175.61 2ka9 h LYS 173 N 0.11 0.00 0.00 0.17 5.09 -1.27 -2.90 116.57 117.77 2ka9 h LYS 173 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.50 2ka9 h LYS 173 Cb 2.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.41 2ka9 h LYS 173 CO 0.22 0.48 0.00 -0.91 -2.09 0.00 0.00 179.45 177.15 2ka9 h ASN 174 N 0.00 0.00 -1.80 7.07 2.35 -1.18 -3.44 115.58 118.59 2ka9 h ASN 174 Ca -0.00 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 2ka9 h ASN 174 Cb 1.12 0.00 0.10 0.00 0.05 0.00 0.00 38.32 39.59 2ka9 h ASN 174 CO 0.06 0.00 -0.08 0.35 -1.65 0.00 0.00 177.43 176.11 2ka9 n THR 175 N -2.33 0.00 -3.04 2.81 -2.24 -1.10 -5.06 114.28 103.32 2ka9 n THR 175 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2ka9 n THR 175 Cb 0.09 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2ka9 n THR 175 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ka9 n TYR 176 N -4.22 0.00 -0.21 4.78 4.11 -1.26 -5.04 117.16 115.32 2ka9 n TYR 176 Ca 0.06 0.00 0.17 0.00 -0.00 0.00 0.00 57.90 58.13 2ka9 n TYR 176 Cb 0.27 0.00 0.50 0.00 -0.00 0.00 0.00 39.34 40.10 2ka9 n TYR 176 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 2ka9 h ASP 177 N 0.00 0.42 -1.99 9.48 1.82 -1.92 -3.09 116.42 121.14 2ka9 h ASP 177 Ca 0.00 0.03 -0.36 0.00 -0.39 0.00 0.00 57.03 56.31 2ka9 h ASP 177 Cb 0.00 -0.05 -0.31 0.00 0.68 0.00 0.00 39.33 39.65 2ka9 h ASP 177 CO 0.00 0.20 -0.68 -0.69 -1.61 0.00 0.00 179.24 176.46 2ka9 s VAL 178 N -5.44 -0.34 -0.13 2.25 1.01 -1.26 -0.54 120.40 115.94 2ka9 s VAL 178 Ca -0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 2ka9 s VAL 178 Cb 0.22 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2ka9 s VAL 178 CO 0.78 -0.56 -0.07 0.68 0.00 0.00 0.00 175.10 175.92 2ka9 s VAL 179 N 1.61 3.57 -0.21 2.92 -7.23 -0.18 -4.93 120.40 115.96 2ka9 s VAL 179 Ca 0.15 -0.48 -0.16 0.00 -1.81 0.00 0.00 61.98 59.68 2ka9 s VAL 179 Cb -0.15 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 2ka9 s VAL 179 CO -0.09 0.52 0.42 -0.72 -0.31 0.00 0.00 175.10 174.91 2ka9 s TYR 180 N 0.19 3.36 0.16 2.82 1.13 -1.26 0.08 117.35 123.83 2ka9 s TYR 180 Ca -0.04 0.62 0.06 0.00 -1.41 0.00 0.00 57.07 56.30 2ka9 s TYR 180 Cb -0.14 -2.56 -0.04 0.00 -1.10 0.00 0.00 41.96 38.12 2ka9 s TYR 180 CO 0.04 -0.05 0.02 -0.48 -2.51 0.00 0.00 175.55 172.57 2ka9 s LEU 181 N 1.46 3.43 -0.41 -3.49 2.34 0.30 0.39 118.68 122.69 2ka9 s LEU 181 Ca 0.19 -0.31 -0.17 0.00 0.06 0.00 0.00 54.13 53.90 2ka9 s LEU 181 Cb -0.15 -2.08 0.02 0.00 -0.56 0.00 0.00 46.19 43.41 2ka9 s LEU 181 CO 0.08 0.10 0.42 -0.54 -1.06 0.00 0.00 176.35 175.35 2ka9 s LYS 182 N -2.86 3.17 0.24 1.48 3.01 -0.03 -0.95 119.74 123.80 2ka9 s LYS 182 Ca 0.28 -0.71 0.06 0.00 -1.01 0.00 0.00 55.97 54.58 2ka9 s LYS 182 Cb -0.10 -3.94 -0.03 0.00 -1.01 0.00 0.00 37.83 32.75 2ka9 s LYS 182 CO 0.19 -0.79 0.30 0.08 0.51 0.00 0.00 175.35 175.64 2ka9 s VAL 183 N 2.10 4.95 0.00 3.17 1.01 -0.51 -0.56 120.40 130.57 2ka9 s VAL 183 Ca 0.12 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2ka9 s VAL 183 Cb -0.17 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2ka9 s VAL 183 CO 0.13 -0.33 0.01 0.00 0.00 0.00 0.00 175.10 174.91 2ka9 s ALA 184 N -2.03 -0.01 0.01 5.51 0.00 0.31 0.10 121.76 125.66 2ka9 s ALA 184 Ca 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 2ka9 s ALA 184 Cb -0.09 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2ka9 s ALA 184 CO 0.27 -0.09 0.22 0.15 0.00 0.00 0.00 175.76 176.31 2ka9 s LYS 185 N -0.75 3.49 -0.00 0.00 1.02 -0.08 -4.00 119.74 119.40 2ka9 s LYS 185 Ca -0.08 -0.24 -0.34 0.00 0.02 0.00 0.00 55.97 55.32 2ka9 s LYS 185 Cb -0.05 -3.08 -0.13 0.00 -0.52 0.00 0.00 37.83 34.05 2ka9 s LYS 185 CO -0.00 0.65 1.76 -0.35 -0.92 0.00 0.00 175.35 176.49 2ka9 n PRO 186 N 0.92 2.11 -0.28 -1.68 -0.04 -1.26 -3.61 135.00 131.15 2ka9 n PRO 186 Ca -0.10 0.77 -0.18 0.00 -0.04 0.00 0.00 63.50 63.95 2ka9 n PRO 186 Cb 0.53 -2.58 0.17 0.00 -0.04 0.00 0.00 33.50 31.58 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ka9 n SER 187 N 5.39 -3.16 -3.84 3.54 2.88 -1.25 -3.66 113.62 113.52 2ka9 n SER 187 Ca 0.21 -0.51 -0.39 0.00 -1.33 0.00 0.00 58.87 56.86 2ka9 n SER 187 Cb 0.28 -0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 62.98 2ka9 n SER 187 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2ka9 n ASN 188 N -3.19 2.04 0.00 -3.46 2.85 -1.26 -4.36 115.26 107.88 2ka9 n ASN 188 Ca 0.08 -2.61 0.00 0.00 -0.11 0.00 0.00 54.58 51.94 2ka9 n ASN 188 Cb 0.35 -1.10 0.00 0.00 1.24 0.00 0.00 39.78 40.27 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15