#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 2.27 -0.02 0.03 2.56 -0.88 -4.94 118.70 117.72 2ka9 s GLU 2 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 54.97 53.52 2ka9 s GLU 2 Cb 0.00 -2.29 0.07 0.00 2.00 0.00 0.00 34.13 33.91 2ka9 s GLU 2 CO 0.00 0.45 0.66 0.71 -0.56 0.00 0.00 175.26 176.52 2ka9 s TYR 3 N -1.70 -0.64 -0.24 5.30 1.51 -1.26 -1.43 117.35 118.90 2ka9 s TYR 3 Ca 0.26 1.00 -0.36 0.00 -1.01 0.00 0.00 57.07 56.97 2ka9 s TYR 3 Cb -0.09 0.43 0.15 0.00 -0.11 0.00 0.00 41.96 42.34 2ka9 s TYR 3 CO 0.17 -0.64 1.28 -1.83 -1.11 0.00 0.00 175.55 173.42 2ka9 s GLU 4 N -1.58 0.18 -0.26 -0.62 -1.05 -0.84 -5.01 118.70 109.52 2ka9 s GLU 4 Ca -0.09 -0.05 -0.03 0.00 -0.15 0.00 0.00 54.97 54.65 2ka9 s GLU 4 Cb -0.00 0.08 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 2ka9 s GLU 4 CO 0.06 -0.08 -0.03 -1.83 0.95 0.00 0.00 175.26 174.34 2ka9 s GLU 5 N -2.07 2.85 0.35 -4.83 -1.05 -1.26 -1.43 118.70 111.26 2ka9 s GLU 5 Ca 0.10 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2ka9 s GLU 5 Cb -0.01 -3.08 0.00 0.00 -0.44 0.00 0.00 34.13 30.61 2ka9 s GLU 5 CO -0.04 -0.43 0.02 0.44 0.95 0.00 0.00 175.26 176.20 2ka9 n ILE 6 N 4.70 0.00 -4.29 1.83 -0.00 0.10 -4.92 119.36 116.78 2ka9 n ILE 6 Ca -0.16 -1.65 -0.26 0.00 -0.00 0.00 0.00 62.75 60.68 2ka9 n ILE 6 Cb 0.47 0.30 -0.17 0.00 -0.00 0.00 0.00 39.64 40.24 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 -2.24 1.19 -0.44 7.28 -4.23 -1.26 0.66 115.64 116.60 2ka9 s THR 7 Ca 0.02 -0.45 0.03 0.00 -1.18 0.00 0.00 61.69 60.10 2ka9 s THR 7 Cb -0.00 -1.13 0.12 0.00 1.34 0.00 0.00 72.50 72.84 2ka9 s THR 7 CO 0.01 0.38 0.20 -0.22 -0.54 0.00 0.00 174.62 174.45 2ka9 s LEU 8 N 1.13 3.68 0.74 4.79 2.96 0.16 -4.89 118.68 127.26 2ka9 s LEU 8 Ca -0.05 -2.61 -0.11 0.00 -0.22 0.00 0.00 54.13 51.14 2ka9 s LEU 8 Cb -0.14 -1.37 0.04 0.00 0.50 0.00 0.00 46.19 45.21 2ka9 s LEU 8 CO -0.02 -0.29 1.08 -1.83 -1.32 0.00 0.00 176.35 173.97 2ka9 s GLU 9 N 0.31 2.52 -0.70 1.98 4.04 -1.26 -2.51 118.70 123.08 2ka9 s GLU 9 Ca 0.15 0.88 -0.26 0.00 0.04 0.00 0.00 54.97 55.78 2ka9 s GLU 9 Cb -0.23 -1.95 -0.01 0.00 0.02 0.00 0.00 34.13 31.96 2ka9 s GLU 9 CO -0.04 -1.37 1.69 -0.98 -1.84 0.00 0.00 175.26 172.72 2ka9 s ARG 10 N -5.06 2.82 0.58 -4.83 1.70 0.11 -4.60 118.95 109.67 2ka9 s ARG 10 Ca 0.59 0.20 0.30 0.00 -0.47 0.00 0.00 55.73 56.35 2ka9 s ARG 10 Cb -0.15 -4.45 1.41 0.00 -0.57 0.00 0.00 34.95 31.20 2ka9 s ARG 10 CO 0.55 -2.61 1.80 0.78 -1.08 0.00 0.00 175.30 174.73 2ka9 h GLY 11 N 15.45 0.00 0.00 3.88 0.00 -1.89 -3.44 103.07 117.08 2ka9 h GLY 11 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2ka9 h GLY 11 CO 1.25 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.78 2ka9 n ASN 12 N -3.74 0.00 -1.53 0.19 5.15 -1.26 -4.91 115.26 109.16 2ka9 n ASN 12 Ca 0.13 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.00 2ka9 n ASN 12 Cb 0.89 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 40.33 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ka9 n SER 13 N -0.20 3.08 0.00 1.20 7.64 -1.26 -5.04 113.62 119.03 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 1.31 0.12 0.23 0.00 -1.26 -4.95 105.19 99.54 2ka9 n GLY 14 Ca 0.42 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 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 0.47 -2.33 0.99 4.07 -1.93 -3.23 115.31 113.36 2ka9 h LEU 15 Ca 0.00 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.30 2ka9 h LEU 15 Cb 0.00 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.59 2ka9 h LEU 15 CO 0.00 1.55 0.00 0.61 -1.08 0.00 0.00 178.44 179.52 2ka9 n GLY 16 N 1.72 -0.13 3.38 0.83 0.00 -1.26 0.12 105.19 109.86 2ka9 n GLY 16 Ca -0.19 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.28 -0.40 -0.20 1.61 -0.12 -1.26 -1.74 117.98 113.59 2ka9 s PHE 17 Ca 0.00 0.30 -0.07 0.00 -0.05 0.00 0.00 56.93 57.11 2ka9 s PHE 17 Cb 0.00 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2ka9 s PHE 17 CO 0.00 -0.70 0.06 -1.12 -0.05 0.00 0.00 175.22 173.41 2ka9 s SER 18 N -2.33 5.46 0.31 1.98 0.01 0.26 -4.95 113.70 114.44 2ka9 s SER 18 Ca -0.02 -0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.30 2ka9 s SER 18 Cb -0.00 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.25 2ka9 s SER 18 CO -0.07 0.11 0.29 0.27 0.41 0.00 0.00 173.24 174.25 2ka9 s ILE 19 N 0.76 3.86 -0.19 1.44 -4.36 -1.26 0.52 121.20 121.97 2ka9 s ILE 19 Ca 0.03 -1.34 -0.28 0.00 -0.26 0.00 0.00 60.65 58.81 2ka9 s ILE 19 Cb -0.13 -3.28 0.09 0.00 1.25 0.00 0.00 42.46 40.38 2ka9 s ILE 19 CO 0.02 -0.22 0.79 0.00 0.24 0.00 0.00 174.94 175.77 2ka9 s ALA 20 N -2.24 -1.83 0.00 2.27 0.00 0.33 -4.76 121.76 115.54 2ka9 s ALA 20 Ca 0.39 1.73 0.00 0.00 0.00 0.00 0.00 51.96 54.08 2ka9 s ALA 20 Cb -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2ka9 s ALA 20 CO 0.27 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2ka9 n GLY 21 N 1.81 0.28 0.00 0.00 0.00 -1.26 0.18 105.19 106.20 2ka9 n GLY 21 Ca -0.15 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 3.93 0.48 -0.02 0.00 -1.11 -4.12 105.19 104.35 2ka9 n GLY 22 Ca 0.00 -1.42 0.28 0.00 0.00 0.00 0.00 46.02 44.89 2ka9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h THR 23 N 0.43 0.33 0.11 2.61 1.03 0.93 0.12 112.91 118.47 2ka9 h THR 23 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 66.22 2ka9 h THR 23 Cb 0.00 0.43 0.01 0.00 -1.07 0.00 0.00 68.15 67.52 2ka9 h THR 23 CO 0.00 0.00 -0.86 -0.78 -0.01 0.00 0.00 175.52 173.87 2ka9 h ASP 24 N 0.00 0.38 -3.45 0.00 1.82 -1.85 -3.42 116.42 109.89 2ka9 h ASP 24 Ca 0.41 -0.92 -0.62 0.00 -0.39 0.00 0.00 57.03 55.51 2ka9 h ASP 24 Cb 1.93 -0.12 -0.41 0.00 0.68 0.00 0.00 39.33 41.41 2ka9 h ASP 24 CO -0.00 1.40 -0.66 0.21 -1.61 0.00 0.00 179.24 178.57 2ka9 s ASN 25 N -6.89 4.11 0.34 2.28 2.47 0.37 -5.11 114.94 112.52 2ka9 s ASN 25 Ca -0.16 -3.31 -0.24 0.00 0.42 0.00 0.00 52.86 49.57 2ka9 s ASN 25 Cb 0.01 -1.40 -0.15 0.00 -1.45 0.00 0.00 41.25 38.26 2ka9 s ASN 25 CO 0.79 -0.17 0.37 -2.65 -3.72 0.00 0.00 177.10 171.72 2ka9 n PRO 26 N 2.67 0.20 -0.04 0.43 -0.02 -0.85 -2.75 135.00 134.64 2ka9 n PRO 26 Ca 0.15 0.07 -0.14 0.00 -2.02 0.00 0.00 63.50 61.56 2ka9 n PRO 26 Cb 0.35 -1.16 -0.12 0.00 -0.02 0.00 0.00 33.50 32.55 2ka9 n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ka9 h HIS 27 N 0.72 0.04 0.00 6.00 2.76 -1.80 -3.38 115.15 119.49 2ka9 h HIS 27 Ca -0.35 -0.02 -0.33 0.00 -2.20 0.00 0.00 60.37 57.47 2ka9 h HIS 27 Cb 1.43 -0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.32 2ka9 h HIS 27 CO 0.35 0.82 -2.20 0.44 -1.30 0.00 0.00 177.93 176.05 2ka9 n ILE 28 N -4.67 1.34 0.00 6.26 -5.35 -1.26 -4.94 119.36 110.74 2ka9 n ILE 28 Ca -0.09 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.56 2ka9 n ILE 28 Cb 0.41 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 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 1.67 1.67 0.93 3.28 0.00 -1.26 -4.98 105.19 106.50 2ka9 n GLY 29 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -0.81 -3.19 1.61 5.68 -1.26 -5.08 116.55 113.50 2ka9 n ASP 30 Ca 0.00 -1.61 0.04 0.00 -0.50 0.00 0.00 54.79 52.72 2ka9 n ASP 30 Cb 0.00 0.25 -0.02 0.00 -1.14 0.00 0.00 41.12 40.21 2ka9 n ASP 30 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2ka9 s ASP 31 N -0.80 -1.09 0.58 -1.12 1.01 -1.26 -5.02 116.67 108.97 2ka9 s ASP 31 Ca 0.00 0.76 0.32 0.00 0.71 0.00 0.00 52.55 54.35 2ka9 s ASP 31 Cb 0.01 1.94 1.80 0.00 1.01 0.00 0.00 42.92 47.68 2ka9 s ASP 31 CO -0.00 -0.20 2.20 -0.65 0.21 0.00 0.00 175.17 176.73 2ka9 h PRO 32 N 7.98 0.00 -6.86 8.23 0.11 -1.87 -3.37 132.00 136.22 2ka9 h PRO 32 Ca -0.20 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.53 2ka9 h PRO 32 Cb 1.16 0.00 0.21 0.00 0.11 0.00 0.00 31.00 32.48 2ka9 h PRO 32 CO 0.15 0.04 -0.23 0.43 -0.21 0.00 0.00 178.00 178.18 2ka9 n SER 33 N -3.57 -3.15 -4.87 -2.05 7.64 -1.25 0.69 113.62 107.06 2ka9 n SER 33 Ca -0.02 -0.54 -0.21 0.00 1.01 0.00 0.00 58.87 59.11 2ka9 n SER 33 Cb 0.15 -1.05 -0.03 0.00 -1.01 0.00 0.00 64.21 62.26 2ka9 n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 34 N -2.21 4.55 0.23 0.44 1.09 -1.26 -3.31 121.20 120.73 2ka9 s ILE 34 Ca 0.63 -1.27 0.03 0.00 -1.10 0.00 0.00 60.65 58.94 2ka9 s ILE 34 Cb -0.16 -3.50 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 2ka9 s ILE 34 CO 0.58 -0.32 0.02 -0.36 -0.10 0.00 0.00 174.94 174.76 2ka9 s PHE 35 N -2.11 1.51 0.14 3.97 0.40 0.13 -3.62 117.98 118.39 2ka9 s PHE 35 Ca 0.35 -0.98 0.09 0.00 -0.60 0.00 0.00 56.93 55.79 2ka9 s PHE 35 Cb -0.08 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 2ka9 s PHE 35 CO 0.27 -0.12 -0.18 0.42 0.70 0.00 0.00 175.22 176.31 2ka9 s ILE 36 N -3.51 2.80 -0.13 0.64 1.01 0.31 0.12 121.20 122.43 2ka9 s ILE 36 Ca 0.29 -1.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.29 2ka9 s ILE 36 Cb 0.06 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 40.15 2ka9 s ILE 36 CO 0.09 0.02 -0.14 0.35 0.00 0.00 0.00 174.94 175.26 2ka9 n THR 37 N 0.57 0.75 -3.47 2.92 -2.24 0.18 -2.92 114.28 110.08 2ka9 n THR 37 Ca -0.14 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 2ka9 n THR 37 Cb 0.54 -1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.47 2ka9 n THR 37 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ka9 s LYS 38 N -2.26 1.07 -0.04 -0.78 0.00 -1.23 -4.76 119.74 111.74 2ka9 s LYS 38 Ca -0.18 -0.30 0.03 0.00 0.00 0.00 0.00 55.97 55.51 2ka9 s LYS 38 Cb 0.06 0.49 -0.03 0.00 0.00 0.00 0.00 37.83 38.35 2ka9 s LYS 38 CO 0.28 -0.45 -0.10 0.42 0.00 0.00 0.00 175.35 175.50 2ka9 s ILE 39 N -3.13 3.43 -0.09 3.79 1.01 -1.26 0.91 121.20 125.87 2ka9 s ILE 39 Ca 0.01 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 2ka9 s ILE 39 Cb -0.01 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2ka9 s ILE 39 CO -0.08 0.54 0.67 -0.63 0.00 0.00 0.00 174.94 175.44 2ka9 s ILE 40 N -0.83 5.05 -0.41 2.92 1.01 -0.71 -4.92 121.20 123.31 2ka9 s ILE 40 Ca 0.13 1.37 -0.14 0.00 0.00 0.00 0.00 60.65 62.02 2ka9 s ILE 40 Cb -0.11 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.21 2ka9 s ILE 40 CO 0.02 0.24 1.64 -2.65 0.00 0.00 0.00 174.94 174.19 2ka9 n PRO 41 N 3.95 0.88 0.00 2.79 -0.02 -1.26 -2.70 135.00 138.64 2ka9 n PRO 41 Ca -0.02 -1.17 0.00 0.00 -2.02 0.00 0.00 63.50 60.29 2ka9 n PRO 41 Cb 0.51 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2ka9 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 42 N 4.29 -0.03 3.81 -1.23 0.00 -1.26 -5.07 105.19 105.71 2ka9 n GLY 42 Ca 0.34 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 2ka9 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ka9 s GLY 43 N -1.34 1.67 0.55 -0.02 0.00 -1.10 -4.87 107.32 102.20 2ka9 s GLY 43 Ca 0.00 0.09 0.26 0.00 0.00 0.00 0.00 44.72 45.07 2ka9 s GLY 43 CO 0.00 0.40 2.00 0.00 0.00 0.00 0.00 173.10 175.51 2ka9 h ALA 44 N -0.77 2.34 0.46 3.20 0.00 -1.24 -1.97 119.26 121.28 2ka9 h ALA 44 Ca -0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2ka9 h ALA 44 Cb 1.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ka9 h ALA 44 CO 0.56 -0.59 -0.27 0.00 0.00 0.00 0.00 179.25 178.95 2ka9 h ALA 45 N 1.71 -0.70 0.00 0.00 0.00 0.74 0.42 119.26 121.44 2ka9 h ALA 45 Ca 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2ka9 h ALA 45 Cb 0.93 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2ka9 h ALA 45 CO -0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 179.25 178.14 2ka9 h ALA 46 N -0.19 1.39 -0.20 0.00 0.00 -1.52 0.57 119.26 119.30 2ka9 h ALA 46 Ca -0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2ka9 h ALA 46 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ka9 h ALA 46 CO 0.06 0.26 -0.45 1.96 0.00 0.00 0.00 179.25 181.08 2ka9 h GLN 47 N 0.00 0.66 0.05 0.00 4.20 -0.79 -3.16 115.11 116.07 2ka9 h GLN 47 Ca -0.00 -0.44 -0.25 0.00 0.06 0.00 0.00 58.65 58.02 2ka9 h GLN 47 Cb 0.44 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.29 2ka9 h GLN 47 CO 0.03 1.06 -1.06 -0.44 -0.67 0.00 0.00 178.83 177.75 2ka9 h ASP 48 N 0.35 0.56 -5.03 1.46 5.19 0.24 -3.46 116.42 115.73 2ka9 h ASP 48 Ca 0.00 -0.49 -0.23 0.00 -0.62 0.00 0.00 57.03 55.69 2ka9 h ASP 48 Cb 1.06 -0.18 -0.12 0.00 0.18 0.00 0.00 39.33 40.28 2ka9 h ASP 48 CO 0.10 1.31 -0.34 0.61 -3.12 0.00 0.00 179.24 177.80 2ka9 n GLY 49 N 1.14 -0.11 0.17 2.75 0.00 0.20 -4.73 105.19 104.62 2ka9 n GLY 49 Ca -0.08 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 2ka9 n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ka9 h ARG 50 N -0.20 0.54 -5.12 1.61 3.08 -1.90 -3.47 114.38 108.92 2ka9 h ARG 50 Ca -0.23 -0.59 -0.69 0.00 0.07 0.00 0.00 59.98 58.55 2ka9 h ARG 50 Cb 0.51 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.60 2ka9 h ARG 50 CO 0.30 1.21 -0.50 -0.51 -1.07 0.00 0.00 179.97 179.40 2ka9 s LEU 51 N -7.87 2.19 0.11 3.04 1.43 -1.26 -5.15 118.68 111.16 2ka9 s LEU 51 Ca -0.08 -1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 51.31 2ka9 s LEU 51 Cb 0.08 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 2ka9 s LEU 51 CO 0.89 -0.92 0.28 -0.13 0.23 0.00 0.00 176.35 176.70 2ka9 s ARG 52 N -3.90 3.50 0.20 1.70 1.81 -1.26 -5.02 118.95 115.98 2ka9 s ARG 52 Ca 0.01 -0.35 -0.01 0.00 -1.72 0.00 0.00 55.73 53.66 2ka9 s ARG 52 Cb 0.00 -2.96 0.15 0.00 -0.45 0.00 0.00 34.95 31.69 2ka9 s ARG 52 CO 0.01 0.54 1.52 -0.39 -0.68 0.00 0.00 175.30 176.30 2ka9 h VAL 53 N 1.97 1.33 0.00 3.52 -1.51 -1.88 -3.11 116.25 116.58 2ka9 h VAL 53 Ca -0.46 -1.82 0.00 0.00 -1.23 0.00 0.00 66.70 63.19 2ka9 h VAL 53 Cb 1.17 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 2ka9 h VAL 53 CO 0.74 0.56 0.00 0.59 -1.23 0.00 0.00 177.57 178.22 2ka9 n ASN 54 N -3.95 0.23 -2.36 4.19 3.02 -1.15 -0.53 115.26 114.71 2ka9 n ASN 54 Ca -0.03 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 2ka9 n ASN 54 Cb 0.60 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2ka9 n ASN 54 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2ka9 n ASP 55 N -0.16 0.00 -3.53 6.41 5.75 -1.18 -4.87 116.55 118.97 2ka9 n ASP 55 Ca 0.00 -0.27 -0.27 0.00 -0.01 0.00 0.00 54.79 54.24 2ka9 n ASP 55 Cb 0.06 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.00 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 -1.00 3.23 -0.70 -1.12 0.01 -0.34 -4.29 113.70 109.49 2ka9 s SER 56 Ca 0.00 -1.17 -0.25 0.00 1.31 0.00 0.00 55.95 55.84 2ka9 s SER 56 Cb 0.00 -0.24 -0.14 0.00 0.21 0.00 0.00 66.02 65.85 2ka9 s SER 56 CO 0.00 -0.43 2.44 2.30 0.41 0.00 0.00 173.24 177.96 2ka9 n ILE 57 N 5.26 -0.04 0.05 1.44 -0.00 -1.24 -1.43 119.36 123.39 2ka9 n ILE 57 Ca -0.06 -0.57 -0.03 0.00 -0.00 0.00 0.00 62.75 62.09 2ka9 n ILE 57 Cb 0.43 -1.98 0.20 0.00 -0.00 0.00 0.00 39.64 38.29 2ka9 n ILE 57 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2ka9 h LEU 58 N 18.68 0.40 -7.88 7.28 3.38 -0.42 -3.40 115.31 133.35 2ka9 h LEU 58 Ca -0.12 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2ka9 h LEU 58 Cb 1.18 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 2ka9 h LEU 58 CO 1.19 0.71 0.10 -0.36 0.09 0.00 0.00 178.44 180.17 2ka9 s PHE 59 N -4.33 -0.08 0.29 1.13 0.08 0.16 -3.33 117.98 111.90 2ka9 s PHE 59 Ca -0.06 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 2ka9 s PHE 59 Cb 0.13 0.50 0.00 0.00 -0.57 0.00 0.00 43.02 43.09 2ka9 s PHE 59 CO 0.79 -1.07 0.38 0.28 -0.10 0.00 0.00 175.22 175.49 2ka9 n VAL 60 N -0.40 0.00 -1.50 -0.44 0.31 -0.56 0.41 118.33 116.15 2ka9 n VAL 60 Ca -0.06 -1.56 -0.25 0.00 -0.01 0.00 0.00 64.34 62.46 2ka9 n VAL 60 Cb 0.61 0.92 -0.22 0.00 -0.91 0.00 0.00 33.84 34.25 2ka9 n VAL 60 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2ka9 n ASN 61 N -1.75 -1.18 -2.61 4.52 3.02 -1.17 0.06 115.26 116.15 2ka9 n ASN 61 Ca 0.02 -0.46 -0.13 0.00 -0.03 0.00 0.00 54.58 53.97 2ka9 n ASN 61 Cb 0.49 -0.60 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2ka9 n ASN 61 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ka9 n GLU 62 N 5.98 -2.54 -5.03 3.52 -0.58 -1.26 -4.93 120.64 115.79 2ka9 n GLU 62 Ca 0.67 0.52 -0.31 0.00 -0.42 0.00 0.00 57.16 57.62 2ka9 n GLU 62 Cb 0.13 -5.14 -0.17 0.00 -0.57 0.00 0.00 31.44 25.70 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ka9 s VAL 63 N -2.62 1.96 -1.15 2.62 1.01 0.11 -5.06 120.40 117.27 2ka9 s VAL 63 Ca 0.07 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2ka9 s VAL 63 Cb -0.04 -1.71 0.23 0.00 0.00 0.00 0.00 36.38 34.87 2ka9 s VAL 63 CO 0.09 0.54 1.24 -1.81 0.00 0.00 0.00 175.10 175.16 2ka9 s ASP 64 N 0.48 7.22 -0.44 3.32 1.01 -1.26 -1.49 116.67 125.51 2ka9 s ASP 64 Ca -0.16 -3.35 0.02 0.00 0.71 0.00 0.00 52.55 49.77 2ka9 s ASP 64 Cb -0.17 -2.29 0.52 0.00 1.01 0.00 0.00 42.92 41.99 2ka9 s ASP 64 CO 0.06 -0.47 1.86 1.33 0.21 0.00 0.00 175.17 178.16 2ka9 n VAL 65 N 3.48 3.04 1.17 -1.27 0.24 -1.26 -4.43 118.33 119.30 2ka9 n VAL 65 Ca 0.29 -1.92 0.12 0.00 -2.04 0.00 0.00 64.34 60.79 2ka9 n VAL 65 Cb 0.41 -0.74 0.62 0.00 -1.47 0.00 0.00 33.84 32.66 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 -0.82 0.37 -2.47 7.34 1.85 -1.21 -4.01 116.66 117.71 2ka9 n ARG 66 Ca 0.52 0.05 -0.04 0.00 -1.00 0.00 0.00 57.85 57.39 2ka9 n ARG 66 Cb 1.26 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 31.21 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 -1.26 0.59 -5.08 2.89 1.02 -1.26 -3.88 120.64 113.65 2ka9 n GLU 67 Ca 0.12 -0.94 -0.32 0.00 -0.02 0.00 0.00 57.16 56.00 2ka9 n GLU 67 Cb 0.18 0.05 -0.15 0.00 -0.02 0.00 0.00 31.44 31.51 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 0.08 2.53 1.06 2.62 -7.23 -1.26 -4.67 120.40 113.53 2ka9 s VAL 68 Ca 0.08 -0.96 -0.18 0.00 -1.81 0.00 0.00 61.98 59.12 2ka9 s VAL 68 Cb 0.20 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 35.24 2ka9 s VAL 68 CO -0.05 0.57 -0.05 0.41 -0.31 0.00 0.00 175.10 175.67 2ka9 n THR 69 N 2.31 0.00 -0.02 5.32 -1.04 -1.26 -1.97 114.28 117.62 2ka9 n THR 69 Ca -0.17 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 2ka9 n THR 69 Cb 0.52 -0.53 -0.04 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.79 0.17 -0.70 -1.42 2.76 -1.85 -1.85 115.15 110.48 2ka9 h HIS 70 Ca -0.49 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 57.76 2ka9 h HIS 70 Cb 1.34 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 30.20 2ka9 h HIS 70 CO 0.21 0.10 0.46 1.03 -1.30 0.00 0.00 177.93 178.43 2ka9 h SER 71 N 0.18 0.57 0.20 3.26 0.87 -1.91 0.24 113.55 116.95 2ka9 h SER 71 Ca 0.06 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 2ka9 h SER 71 Cb -0.01 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2ka9 h SER 71 CO -0.02 0.36 -0.67 0.00 -0.53 0.00 0.00 176.83 175.96 2ka9 h ALA 72 N 1.64 0.64 -0.17 6.23 0.00 -1.79 -1.35 119.26 124.47 2ka9 h ALA 72 Ca 0.31 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 2ka9 h ALA 72 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ka9 h ALA 72 CO -0.10 0.74 -0.49 0.00 0.00 0.00 0.00 179.25 179.39 2ka9 h ALA 73 N 0.96 0.29 -0.46 0.00 0.00 -0.40 -1.48 119.26 118.17 2ka9 h ALA 73 Ca -0.02 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2ka9 h ALA 73 Cb 1.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2ka9 h ALA 73 CO 0.12 0.46 0.03 -0.24 0.00 0.00 0.00 179.25 179.62 2ka9 h VAL 74 N 0.30 1.23 -0.15 0.00 3.04 -0.59 -1.57 116.25 118.51 2ka9 h VAL 74 Ca -0.01 -0.90 -0.12 0.00 -1.01 0.00 0.00 66.70 64.66 2ka9 h VAL 74 Cb 1.12 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 2ka9 h VAL 74 CO 0.11 0.32 -0.42 -0.33 -1.01 0.00 0.00 177.57 176.23 2ka9 h GLU 75 N 0.70 0.35 -0.34 4.17 5.08 -1.16 0.65 114.58 124.03 2ka9 h GLU 75 Ca 0.14 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 2ka9 h GLU 75 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2ka9 h GLU 75 CO 0.01 0.72 -0.32 0.00 -1.00 0.00 0.00 179.01 178.42 2ka9 h ALA 76 N 1.26 0.50 0.00 3.43 0.00 -0.69 0.74 119.26 124.50 2ka9 h ALA 76 Ca 0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2ka9 h ALA 76 Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ka9 h ALA 76 CO 0.07 0.55 -0.67 1.37 0.00 0.00 0.00 179.25 180.57 2ka9 h LEU 77 N 0.60 0.00 -0.47 0.00 8.10 -1.20 -2.54 115.31 119.80 2ka9 h LEU 77 Ca 0.06 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.88 2ka9 h LEU 77 Cb 0.90 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.12 2ka9 h LEU 77 CO 0.08 0.67 -0.57 0.50 -4.11 0.00 0.00 178.44 175.01 2ka9 h LYS 78 N 0.00 0.58 -0.72 0.17 3.64 0.49 -2.83 116.57 117.90 2ka9 h LYS 78 Ca -0.01 -0.38 -0.14 0.00 -1.27 0.00 0.00 60.65 58.85 2ka9 h LYS 78 Cb 1.49 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 33.28 2ka9 h LYS 78 CO 0.09 0.99 0.18 0.39 -2.27 0.00 0.00 179.45 178.83 2ka9 n GLU 79 N -3.95 4.02 -0.18 1.90 -0.58 0.24 -4.00 120.64 118.08 2ka9 n GLU 79 Ca -0.04 -2.98 0.03 0.00 -0.42 0.00 0.00 57.16 53.75 2ka9 n GLU 79 Cb 0.62 -2.21 0.05 0.00 -0.57 0.00 0.00 31.44 29.33 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ka9 n ALA 80 N 0.11 1.91 -1.83 0.62 0.00 -0.96 -5.00 120.51 115.36 2ka9 n ALA 80 Ca 0.36 -1.45 -0.40 0.00 0.00 0.00 0.00 53.44 51.95 2ka9 n ALA 80 Cb 1.30 -0.28 -0.03 0.00 0.00 0.00 0.00 19.45 20.43 2ka9 n ALA 80 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ka9 s GLY 81 N -1.44 0.21 0.00 0.00 0.00 -1.21 -3.82 107.32 101.07 2ka9 s GLY 81 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2ka9 s GLY 81 CO 0.01 3.64 0.00 1.44 0.00 0.00 0.00 173.10 178.19 2ka9 n SER 82 N 12.89 0.00 -3.30 1.64 7.64 -1.26 -4.90 113.62 126.33 2ka9 n SER 82 Ca 0.27 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.05 2ka9 n SER 82 Cb 0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.00 -0.60 -0.37 0.44 1.01 -1.25 0.05 121.20 120.48 2ka9 s ILE 83 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 2ka9 s ILE 83 Cb 0.00 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.86 2ka9 s ILE 83 CO 0.00 -0.34 0.53 0.68 0.00 0.00 0.00 174.94 175.81 2ka9 s VAL 84 N 1.89 4.99 -1.28 2.92 -7.23 -1.05 -4.85 120.40 115.80 2ka9 s VAL 84 Ca 0.14 0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 60.38 2ka9 s VAL 84 Cb -0.12 -4.01 0.06 0.00 0.56 0.00 0.00 36.38 32.87 2ka9 s VAL 84 CO -0.13 -0.30 1.74 -0.60 -0.31 0.00 0.00 175.10 175.51 2ka9 s ARG 85 N 2.44 3.87 -0.01 4.82 3.52 -1.25 -0.66 118.95 131.68 2ka9 s ARG 85 Ca 0.19 -1.91 -0.24 0.00 -0.13 0.00 0.00 55.73 53.64 2ka9 s ARG 85 Cb -0.15 -5.51 -0.04 0.00 -1.56 0.00 0.00 34.95 27.68 2ka9 s ARG 85 CO 0.14 -2.38 0.74 -1.17 -0.81 0.00 0.00 175.30 171.82 2ka9 s LEU 86 N 4.73 4.38 -0.29 -0.88 0.20 0.21 -3.04 118.68 123.99 2ka9 s LEU 86 Ca 0.55 1.32 -0.06 0.00 0.69 0.00 0.00 54.13 56.63 2ka9 s LEU 86 Cb 0.04 -3.16 0.01 0.00 -0.43 0.00 0.00 46.19 42.65 2ka9 s LEU 86 CO 0.08 -0.05 0.05 -0.47 -0.29 0.00 0.00 176.35 175.66 2ka9 s TYR 87 N 0.39 3.14 0.39 5.38 6.14 0.17 0.02 117.35 132.97 2ka9 s TYR 87 Ca 0.38 -1.13 0.08 0.00 0.64 0.00 0.00 57.07 57.04 2ka9 s TYR 87 Cb -0.19 -2.21 -0.07 0.00 0.42 0.00 0.00 41.96 39.91 2ka9 s TYR 87 CO 0.21 -0.62 0.04 0.14 0.64 0.00 0.00 175.55 175.95 2ka9 s VAL 88 N 1.45 2.22 -0.19 3.14 -7.23 -0.52 0.37 120.40 119.65 2ka9 s VAL 88 Ca 0.02 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.19 2ka9 s VAL 88 Cb -0.17 -2.91 0.07 0.00 0.56 0.00 0.00 36.38 33.93 2ka9 s VAL 88 CO 0.01 -0.06 0.13 -0.32 -0.31 0.00 0.00 175.10 174.55 2ka9 s MET 89 N -3.74 0.11 -0.31 4.82 1.75 -0.52 -1.98 119.30 119.42 2ka9 s MET 89 Ca 0.36 -0.02 -0.04 0.00 -1.25 0.00 0.00 55.69 54.73 2ka9 s MET 89 Cb 0.06 -1.59 0.04 0.00 2.84 0.00 0.00 34.83 36.17 2ka9 s MET 89 CO 0.19 -0.69 0.05 -0.98 -0.65 0.00 0.00 175.02 172.94 2ka9 s ARG 90 N 2.20 2.60 -0.30 4.11 1.70 -0.51 -1.20 118.95 127.54 2ka9 s ARG 90 Ca 0.04 -1.17 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 2ka9 s ARG 90 Cb -0.16 -3.32 0.01 0.00 -0.57 0.00 0.00 34.95 30.91 2ka9 s ARG 90 CO -0.12 -0.61 1.19 0.50 -1.08 0.00 0.00 175.30 175.18 2ka9 s ARG 91 N 1.35 4.00 -0.34 3.89 3.52 -1.26 -2.07 118.95 128.03 2ka9 s ARG 91 Ca -0.03 1.18 0.15 0.00 -0.13 0.00 0.00 55.73 56.90 2ka9 s ARG 91 Cb -0.19 -3.81 0.43 0.00 -1.56 0.00 0.00 34.95 29.82 2ka9 s ARG 91 CO 0.01 -1.00 1.21 1.63 -0.81 0.00 0.00 175.30 176.34 2ka9 n LYS 92 N 7.08 1.28 -3.09 5.12 5.02 -1.26 -4.96 118.16 127.35 2ka9 n LYS 92 Ca 0.13 -2.45 -0.39 0.00 -2.02 0.00 0.00 58.31 53.58 2ka9 n LYS 92 Cb 0.47 -0.59 -0.05 0.00 -0.02 0.00 0.00 35.03 34.83 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 -1.50 4.41 0.00 1.97 0.04 -1.26 -4.85 135.00 133.81 2ka9 s PRO 93 Ca 0.22 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2ka9 s PRO 93 Cb 0.42 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2ka9 s PRO 93 CO -0.04 0.34 0.00 -2.30 0.04 0.00 0.00 177.00 175.03 2ka9 n PRO 94 N 2.72 1.60 0.00 0.56 -0.02 -1.26 -4.97 135.00 133.63 2ka9 n PRO 94 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2ka9 n PRO 94 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ka9 n ALA 95 N -3.00 0.00 -0.93 3.55 0.00 -1.26 -4.06 120.51 114.81 2ka9 n ALA 95 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2ka9 n ALA 95 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2ka9 n ALA 95 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ka9 n GLU 96 N 0.00 -2.13 -2.36 0.00 2.13 0.26 -4.48 120.64 114.06 2ka9 n GLU 96 Ca 0.00 1.72 0.01 0.00 0.66 0.00 0.00 57.16 59.55 2ka9 n GLU 96 Cb 0.00 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.22 2ka9 n GLU 96 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2ka9 n LYS 97 N -3.53 0.03 -4.20 5.31 5.02 -1.14 -4.87 118.16 114.77 2ka9 n LYS 97 Ca -0.06 -0.16 -0.17 0.00 -2.02 0.00 0.00 58.31 55.91 2ka9 n LYS 97 Cb 0.44 0.27 -0.13 0.00 -0.02 0.00 0.00 35.03 35.59 2ka9 n LYS 97 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ka9 s VAL 98 N -2.09 0.83 0.20 -0.18 1.01 -1.26 -2.14 120.40 116.76 2ka9 s VAL 98 Ca 0.07 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2ka9 s VAL 98 Cb -0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2ka9 s VAL 98 CO -0.00 -0.14 0.03 -0.04 0.00 0.00 0.00 175.10 174.95 2ka9 s MET 99 N -1.24 1.20 -0.23 2.72 -1.94 0.16 -4.93 119.30 115.05 2ka9 s MET 99 Ca -0.03 -1.60 -0.03 0.00 -1.71 0.00 0.00 55.69 52.32 2ka9 s MET 99 Cb -0.08 -0.26 0.08 0.00 2.01 0.00 0.00 34.83 36.57 2ka9 s MET 99 CO 0.01 -0.18 0.07 -1.83 -0.01 0.00 0.00 175.02 173.07 2ka9 s GLU 100 N -3.95 0.57 0.20 2.03 -1.05 -1.26 -1.79 118.70 113.44 2ka9 s GLU 100 Ca 0.28 -0.57 0.09 0.00 -0.15 0.00 0.00 54.97 54.62 2ka9 s GLU 100 Cb 0.07 -1.93 -0.04 0.00 -0.44 0.00 0.00 34.13 31.78 2ka9 s GLU 100 CO 0.07 -0.78 -0.07 0.42 0.95 0.00 0.00 175.26 175.85 2ka9 s ILE 101 N 1.85 3.28 -0.12 1.83 -1.09 0.32 -4.96 121.20 122.31 2ka9 s ILE 101 Ca 0.03 -1.69 0.03 0.00 -2.23 0.00 0.00 60.65 56.78 2ka9 s ILE 101 Cb -0.17 -2.66 0.01 0.00 -1.58 0.00 0.00 42.46 38.07 2ka9 s ILE 101 CO -0.16 -0.16 -0.20 -1.59 -1.23 0.00 0.00 174.94 171.59 2ka9 s LYS 102 N -3.01 2.78 -0.12 2.79 -2.85 -1.26 0.14 119.74 118.22 2ka9 s LYS 102 Ca 0.26 -0.77 -0.01 0.00 -1.00 0.00 0.00 55.97 54.46 2ka9 s LYS 102 Cb -0.08 -2.25 0.03 0.00 -2.06 0.00 0.00 37.83 33.47 2ka9 s LYS 102 CO 0.16 0.00 -0.05 -1.17 0.10 0.00 0.00 175.35 174.39 2ka9 s LEU 103 N 0.79 1.14 0.08 2.77 0.20 0.72 -2.55 118.68 121.82 2ka9 s LEU 103 Ca -0.09 -0.34 -0.10 0.00 0.69 0.00 0.00 54.13 54.29 2ka9 s LEU 103 Cb -0.16 -0.76 -0.06 0.00 -0.43 0.00 0.00 46.19 44.78 2ka9 s LEU 103 CO -0.00 -0.15 0.41 0.27 -0.29 0.00 0.00 176.35 176.59 2ka9 s ILE 104 N 1.75 5.07 0.67 6.68 -4.36 -1.26 -2.12 121.20 127.64 2ka9 s ILE 104 Ca 0.04 0.50 -0.15 0.00 -0.26 0.00 0.00 60.65 60.78 2ka9 s ILE 104 Cb -0.13 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 39.93 2ka9 s ILE 104 CO -0.08 0.30 1.11 -0.75 0.24 0.00 0.00 174.94 175.76 2ka9 s LYS 105 N -1.87 2.77 0.00 0.37 2.20 0.18 -4.68 119.74 118.71 2ka9 s LYS 105 Ca 0.33 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 2ka9 s LYS 105 Cb -0.14 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 2ka9 s LYS 105 CO 0.18 -1.27 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 2ka9 n GLY 106 N -0.61 5.64 0.16 5.54 0.00 0.51 -4.95 105.19 111.47 2ka9 n GLY 106 Ca 0.10 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 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 0.51 -0.78 1.61 0.13 -1.97 -3.21 132.00 128.28 2ka9 h PRO 107 Ca 0.00 -0.67 -0.04 0.00 -0.87 0.00 0.00 66.00 64.42 2ka9 h PRO 107 Cb 0.00 0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.32 2ka9 h PRO 107 CO 0.00 1.28 0.05 1.17 -0.23 0.00 0.00 178.00 180.27 2ka9 n LYS 108 N -3.98 3.16 0.00 0.86 4.81 -1.26 -5.01 118.16 116.75 2ka9 n LYS 108 Ca -0.13 -1.91 0.00 0.00 -0.87 0.00 0.00 58.31 55.41 2ka9 n LYS 108 Cb 0.87 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.98 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 0.26 0.60 0.13 3.14 0.00 -1.22 -4.44 105.19 103.66 2ka9 n GLY 109 Ca 0.20 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.53 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 110 N 0.00 0.00 -0.94 0.99 4.07 -1.86 1.49 115.31 119.06 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 0.30 0.00 0.61 -1.08 0.00 0.00 178.44 178.27 2ka9 n GLY 111 N 1.25 0.62 3.62 0.83 0.00 -1.26 -3.02 105.19 107.22 2ka9 n GLY 111 Ca -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.13 -0.14 1.61 -0.71 -1.26 -3.44 117.98 111.67 2ka9 s PHE 112 Ca 0.00 0.18 -0.02 0.00 -1.04 0.00 0.00 56.93 56.05 2ka9 s PHE 112 Cb 0.00 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.28 2ka9 s PHE 112 CO 0.00 -0.14 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.54 2ka9 s SER 113 N -1.40 4.46 0.05 1.98 0.01 0.21 -4.98 113.70 114.02 2ka9 s SER 113 Ca 0.07 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.08 2ka9 s SER 113 Cb -0.01 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 2ka9 s SER 113 CO -0.05 0.17 0.05 0.27 0.41 0.00 0.00 173.24 174.09 2ka9 s ILE 114 N 0.36 0.16 -0.26 1.44 -4.36 -1.26 0.12 121.20 117.39 2ka9 s ILE 114 Ca -0.07 -1.31 -0.12 0.00 -0.26 0.00 0.00 60.65 58.89 2ka9 s ILE 114 Cb -0.15 -1.08 0.10 0.00 1.25 0.00 0.00 42.46 42.58 2ka9 s ILE 114 CO 0.04 -0.72 0.61 0.00 0.24 0.00 0.00 174.94 175.10 2ka9 s ALA 115 N -3.06 -1.74 0.19 2.27 0.00 -0.44 -4.92 121.76 114.08 2ka9 s ALA 115 Ca -0.01 2.17 -0.04 0.00 0.00 0.00 0.00 51.96 54.07 2ka9 s ALA 115 Cb 0.02 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.68 2ka9 s ALA 115 CO -0.07 -0.60 0.33 0.41 0.00 0.00 0.00 175.76 175.83 2ka9 n GLY 116 N 4.84 2.02 3.34 0.00 0.00 -1.06 -2.79 105.19 111.54 2ka9 n GLY 116 Ca -0.16 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.30 3.79 -0.02 0.00 0.28 -3.64 105.19 103.02 2ka9 n GLY 117 Ca -0.02 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.41 4.26 0.00 1.61 1.01 -1.26 -1.95 120.40 123.66 2ka9 s VAL 118 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2ka9 s VAL 118 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2ka9 s VAL 118 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2ka9 n GLY 119 N 0.36 2.92 2.74 4.51 0.00 -1.26 -0.84 105.19 113.62 2ka9 n GLY 119 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.32 -2.68 0.00 1.61 4.05 -1.24 -4.94 115.26 112.38 2ka9 n ASN 120 Ca 0.00 -3.18 0.10 0.00 0.45 0.00 0.00 54.58 51.95 2ka9 n ASN 120 Cb 0.00 1.73 0.54 0.00 1.23 0.00 0.00 39.78 43.28 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ka9 n GLN 121 N 1.51 0.36 0.00 1.20 6.02 -0.82 -2.56 117.38 123.09 2ka9 n GLN 121 Ca 0.08 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 2ka9 n GLN 121 Cb 0.65 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.23 0.00 -3.28 1.08 -0.00 -1.25 -4.38 115.22 106.16 2ka9 n HIS 122 Ca 0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.48 2ka9 n HIS 122 Cb 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.08 2ka9 n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ka9 s ILE 123 N 0.00 4.77 -0.58 3.57 1.01 -1.26 -4.95 121.20 123.76 2ka9 s ILE 123 Ca 0.00 0.93 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 2ka9 s ILE 123 Cb 0.00 -3.75 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 2ka9 s ILE 123 CO 0.00 0.18 1.74 -2.65 0.00 0.00 0.00 174.94 174.21 2ka9 n PRO 124 N 0.63 1.27 0.00 2.79 -0.02 -1.26 -3.38 135.00 135.03 2ka9 n PRO 124 Ca -0.03 -1.22 0.00 0.00 -2.02 0.00 0.00 63.50 60.22 2ka9 n PRO 124 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 125 N 4.04 0.41 3.11 -1.23 0.00 -1.26 -5.14 105.19 105.13 2ka9 n GLY 125 Ca 0.33 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.16 -1.24 0.62 1.61 2.15 -1.22 -5.01 116.67 113.43 2ka9 s ASP 126 Ca 0.00 -0.30 0.31 0.00 0.43 0.00 0.00 52.55 52.99 2ka9 s ASP 126 Cb 0.00 1.65 1.70 0.00 -0.30 0.00 0.00 42.92 45.97 2ka9 s ASP 126 CO 0.00 -0.17 2.03 0.78 -0.17 0.00 0.00 175.17 177.64 2ka9 h ASN 127 N 7.06 0.00 -4.07 -0.34 2.35 -1.85 -3.42 115.58 115.31 2ka9 h ASN 127 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.20 2ka9 h ASN 127 Cb 1.19 0.00 0.15 0.00 0.05 0.00 0.00 38.32 39.71 2ka9 h ASN 127 CO 0.06 0.00 0.58 -0.44 -1.65 0.00 0.00 177.43 175.98 2ka9 s SER 128 N -5.18 4.97 -0.44 5.81 0.01 -1.26 0.10 113.70 117.71 2ka9 s SER 128 Ca -0.04 2.74 -0.24 0.00 1.31 0.00 0.00 55.95 59.72 2ka9 s SER 128 Cb 0.13 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2ka9 s SER 128 CO 0.45 -1.77 0.82 -0.63 0.41 0.00 0.00 173.24 172.51 2ka9 s ILE 129 N -1.32 4.62 0.09 1.44 1.01 -1.24 -4.36 121.20 121.44 2ka9 s ILE 129 Ca 0.76 0.55 0.03 0.00 0.00 0.00 0.00 60.65 61.99 2ka9 s ILE 129 Cb -0.40 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 2ka9 s ILE 129 CO 0.45 -0.71 0.10 -0.31 0.00 0.00 0.00 174.94 174.47 2ka9 s TYR 130 N 3.37 3.22 0.31 3.97 1.51 -1.12 -0.72 117.35 127.90 2ka9 s TYR 130 Ca 0.32 0.08 -0.20 0.00 -1.01 0.00 0.00 57.07 56.26 2ka9 s TYR 130 Cb -0.12 -1.62 -0.09 0.00 -0.11 0.00 0.00 41.96 40.02 2ka9 s TYR 130 CO 0.23 0.53 0.83 0.08 -1.11 0.00 0.00 175.55 176.10 2ka9 s VAL 131 N -1.44 4.48 -0.17 0.71 1.01 -0.14 -1.32 120.40 123.53 2ka9 s VAL 131 Ca 0.30 1.37 -0.14 0.00 0.00 0.00 0.00 61.98 63.51 2ka9 s VAL 131 Cb -0.12 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 2ka9 s VAL 131 CO 0.23 -0.02 -0.30 0.35 0.00 0.00 0.00 175.10 175.36 2ka9 n THR 132 N 0.12 1.40 -3.63 3.92 -2.24 0.32 -3.21 114.28 110.96 2ka9 n THR 132 Ca 0.02 0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 2ka9 n THR 132 Cb 0.52 -2.09 -0.07 0.00 -2.10 0.00 0.00 70.33 66.58 2ka9 n THR 132 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ka9 s LYS 133 N -2.66 0.84 -0.02 -0.78 0.00 -1.21 -4.66 119.74 111.26 2ka9 s LYS 133 Ca -0.27 0.30 0.05 0.00 0.00 0.00 0.00 55.97 56.04 2ka9 s LYS 133 Cb 0.07 0.40 -0.03 0.00 0.00 0.00 0.00 37.83 38.26 2ka9 s LYS 133 CO 0.38 -0.22 -0.15 0.42 0.00 0.00 0.00 175.35 175.78 2ka9 s ILE 134 N -0.79 2.97 0.87 3.79 1.01 -1.26 0.65 121.20 128.44 2ka9 s ILE 134 Ca -0.09 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 2ka9 s ILE 134 Cb -0.03 -2.19 0.13 0.00 0.01 0.00 0.00 42.46 40.39 2ka9 s ILE 134 CO 0.06 0.51 1.24 -0.63 0.00 0.00 0.00 174.94 176.12 2ka9 s ILE 135 N -0.79 2.00 -0.38 2.92 1.01 -1.22 -4.98 121.20 119.76 2ka9 s ILE 135 Ca 0.13 -0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.83 2ka9 s ILE 135 Cb -0.11 -3.00 0.58 0.00 0.01 0.00 0.00 42.46 39.95 2ka9 s ILE 135 CO 0.02 0.00 1.69 1.21 0.00 0.00 0.00 174.94 177.86 2ka9 n GLU 136 N -3.50 2.07 0.15 2.79 2.13 -1.26 -4.56 120.64 118.45 2ka9 n GLU 136 Ca 0.11 -3.13 0.00 0.00 0.66 0.00 0.00 57.16 54.80 2ka9 n GLU 136 Cb 0.60 -2.01 0.20 0.00 0.27 0.00 0.00 31.44 30.50 2ka9 n GLU 136 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2ka9 h GLY 137 N 1.05 0.00 0.00 8.31 0.00 -1.94 -3.47 103.07 107.02 2ka9 h GLY 137 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2ka9 h GLY 137 CO 0.76 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.91 2ka9 n GLY 138 N 0.31 1.36 0.00 4.60 0.00 -1.26 -5.06 105.19 105.14 2ka9 n GLY 138 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.38 0.00 0.11 4.61 0.00 -1.26 -4.45 120.51 118.14 2ka9 n ALA 139 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2ka9 n ALA 139 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 1.05 0.05 0.00 0.00 -1.67 -1.69 119.26 115.00 2ka9 h ALA 140 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2ka9 h ALA 140 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2ka9 h ALA 140 CO 0.00 0.65 -0.36 0.45 0.00 0.00 0.00 179.25 179.98 2ka9 h HIS 141 N 0.13 -1.01 0.01 0.00 -0.00 -1.82 1.81 115.15 114.27 2ka9 h HIS 141 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2ka9 h HIS 141 Cb 0.93 0.44 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 2ka9 h HIS 141 CO 0.01 -0.46 -0.01 0.87 -0.00 0.00 0.00 177.93 178.34 2ka9 h LYS 142 N -0.55 -0.02 0.00 2.45 1.57 -1.77 -2.90 116.57 115.35 2ka9 h LYS 142 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2ka9 h LYS 142 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 2ka9 h LYS 142 CO -0.26 0.60 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.77 2ka9 h ASP 143 N -0.66 0.00 0.42 0.86 5.19 -1.26 -3.39 116.42 117.58 2ka9 h ASP 143 Ca -0.00 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 2ka9 h ASP 143 Cb 0.63 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 2ka9 h ASP 143 CO 0.00 0.53 -0.40 1.23 -3.12 0.00 0.00 179.24 177.49 2ka9 h GLY 144 N -1.00 -0.96 -2.28 2.75 0.00 0.26 -3.39 103.07 98.45 2ka9 h GLY 144 Ca -0.00 0.46 -0.42 0.00 0.00 0.00 0.00 47.33 47.36 2ka9 h GLY 144 CO -0.00 -0.33 -0.49 0.54 0.00 0.00 0.00 176.54 176.27 2ka9 n ARG 145 N -5.50 -1.60 -3.53 4.80 1.74 0.30 -4.74 116.66 108.13 2ka9 n ARG 145 Ca -0.11 1.10 -0.41 0.00 -0.77 0.00 0.00 57.85 57.66 2ka9 n ARG 145 Cb 0.40 -5.67 -0.05 0.00 -1.02 0.00 0.00 32.46 26.12 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2ka9 s LEU 146 N -5.59 5.94 1.08 0.55 0.05 -1.26 -5.07 118.68 114.38 2ka9 s LEU 146 Ca 0.00 -3.12 -0.12 0.00 0.05 0.00 0.00 54.13 50.93 2ka9 s LEU 146 Cb 0.00 -2.03 0.22 0.00 -2.05 0.00 0.00 46.19 42.33 2ka9 s LEU 146 CO 0.00 -0.37 0.94 0.00 -0.55 0.00 0.00 176.35 176.37 2ka9 n GLN 147 N 3.24 -1.69 -1.57 1.48 10.64 -1.26 -4.63 117.38 123.59 2ka9 n GLN 147 Ca 0.15 -0.45 -0.55 0.00 -1.83 0.00 0.00 57.00 54.32 2ka9 n GLN 147 Cb 0.41 -2.18 -0.08 0.00 -0.86 0.00 0.00 30.24 27.53 2ka9 n GLN 147 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2ka9 n ILE 148 N -4.66 0.24 0.00 -0.39 5.41 -1.26 -1.90 119.36 116.80 2ka9 n ILE 148 Ca 0.06 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2ka9 n ILE 148 Cb 0.54 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 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 5.37 1.46 3.67 7.39 0.00 -1.20 -5.03 105.19 116.86 2ka9 n GLY 149 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.94 6.72 -0.16 1.61 1.11 -0.80 -4.67 116.67 119.55 2ka9 s ASP 150 Ca 0.00 2.22 -0.03 0.00 0.18 0.00 0.00 52.55 54.92 2ka9 s ASP 150 Cb 0.00 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 2ka9 s ASP 150 CO 0.00 -0.86 -0.06 -1.59 1.18 0.00 0.00 175.17 173.84 2ka9 s LYS 151 N 3.33 3.56 -0.18 8.23 0.00 -1.26 -0.96 119.74 132.46 2ka9 s LYS 151 Ca 0.70 -0.58 -0.08 0.00 0.00 0.00 0.00 55.97 56.01 2ka9 s LYS 151 Cb -0.33 -2.85 -0.04 0.00 0.00 0.00 0.00 37.83 34.60 2ka9 s LYS 151 CO 0.28 0.18 0.10 0.42 0.00 0.00 0.00 175.35 176.33 2ka9 s ILE 152 N 0.51 5.17 -2.27 3.79 1.09 0.10 -0.67 121.20 128.92 2ka9 s ILE 152 Ca -0.05 0.10 0.25 0.00 -1.10 0.00 0.00 60.65 59.85 2ka9 s ILE 152 Cb -0.15 -3.33 0.20 0.00 -1.06 0.00 0.00 42.46 38.12 2ka9 s ILE 152 CO 0.03 0.48 1.36 0.00 -0.10 0.00 0.00 174.94 176.71 2ka9 n LEU 153 N 3.26 1.93 0.00 2.97 -0.00 0.38 -3.60 117.00 121.94 2ka9 n LEU 153 Ca -0.17 -0.65 0.00 0.00 -0.00 0.00 0.00 56.01 55.19 2ka9 n LEU 153 Cb 0.53 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2ka9 n LEU 153 CO 0.35 0.34 0.00 0.00 -0.00 0.00 0.00 177.39 178.08 2ka9 n ALA 154 N 0.18 0.00 -3.38 1.47 0.00 -1.23 -4.67 120.51 112.89 2ka9 n ALA 154 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.12 2ka9 n ALA 154 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.68 4.95 0.00 0.00 1.01 -1.19 0.61 120.40 124.10 2ka9 s VAL 155 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.37 2ka9 s VAL 155 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2ka9 s VAL 155 CO 0.00 -0.85 0.00 0.59 0.00 0.00 0.00 175.10 174.84 2ka9 n ASN 156 N 5.11 0.00 -0.75 3.32 3.02 0.10 -1.30 115.26 124.77 2ka9 n ASN 156 Ca -0.11 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.40 2ka9 n ASN 156 Cb 0.40 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.85 -0.54 -4.94 6.41 7.64 -1.26 -4.99 113.62 117.80 2ka9 n SER 157 Ca 0.00 -1.41 -0.26 0.00 1.01 0.00 0.00 58.87 58.20 2ka9 n SER 157 Cb 0.00 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 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 5.25 -0.79 0.44 1.01 -0.42 -5.06 120.40 120.82 2ka9 s VAL 158 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2ka9 s VAL 158 Cb 0.00 -3.75 0.21 0.00 0.00 0.00 0.00 36.38 32.84 2ka9 s VAL 158 CO 0.00 -0.17 0.71 0.61 0.00 0.00 0.00 175.10 176.24 2ka9 n GLY 159 N -0.73 4.27 0.78 4.51 0.00 -1.26 -3.16 105.19 109.60 2ka9 n GLY 159 Ca -0.06 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.33 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ka9 n LEU 160 N 1.85 1.79 -2.76 0.99 4.77 -1.26 -3.46 117.00 118.91 2ka9 n LEU 160 Ca 0.23 -0.89 -0.09 0.00 -0.03 0.00 0.00 56.01 55.22 2ka9 n LEU 160 Cb 0.37 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 2ka9 n LEU 160 CO 0.36 0.33 0.23 -1.84 -1.33 0.00 0.00 177.39 175.13 2ka9 n GLU 161 N 0.37 1.11 -0.96 3.23 0.28 -1.26 -4.29 120.64 119.13 2ka9 n GLU 161 Ca 0.00 -2.37 -0.05 0.00 -0.16 0.00 0.00 57.16 54.58 2ka9 n GLU 161 Cb 0.33 -0.77 -0.05 0.00 1.43 0.00 0.00 31.44 32.38 2ka9 n GLU 161 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ka9 n ASP 162 N -0.13 -0.65 0.00 -1.84 -0.08 -1.22 -4.98 116.55 107.64 2ka9 n ASP 162 Ca 0.06 -1.84 0.00 0.00 -1.51 0.00 0.00 54.79 51.49 2ka9 n ASP 162 Cb 0.78 0.19 0.00 0.00 2.34 0.00 0.00 41.12 44.43 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 0.04 0.00 0.00 5.18 0.31 -1.26 -5.11 118.33 117.49 2ka9 n VAL 163 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2ka9 n VAL 163 Cb 0.71 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 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 -1.76 0.00 0.02 5.55 2.81 -1.26 -4.54 117.12 117.94 2ka9 n MET 164 Ca 0.00 0.00 0.20 0.00 -1.81 0.00 0.00 57.70 56.09 2ka9 n MET 164 Cb 0.00 0.00 0.69 0.00 -0.71 0.00 0.00 33.22 33.20 2ka9 n MET 164 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2ka9 h HIS 165 N 0.00 0.00 -0.03 2.03 2.07 -1.05 0.17 115.15 118.34 2ka9 h HIS 165 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2ka9 h HIS 165 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2ka9 h HIS 165 CO 0.00 0.00 -0.13 1.49 -3.07 0.00 0.00 177.93 176.22 2ka9 h GLU 166 N 0.00 0.13 -0.22 5.12 4.81 -1.88 -0.33 114.58 122.20 2ka9 h GLU 166 Ca 0.24 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 2ka9 h GLU 166 Cb 0.96 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2ka9 h GLU 166 CO -0.00 0.77 -0.50 -0.44 -0.73 0.00 0.00 179.01 178.11 2ka9 h ASP 167 N -0.47 0.66 -0.02 1.04 5.19 -1.74 0.41 116.42 121.48 2ka9 h ASP 167 Ca -0.01 -0.33 -0.15 0.00 -0.62 0.00 0.00 57.03 55.92 2ka9 h ASP 167 Cb 0.79 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 2ka9 h ASP 167 CO 0.03 1.04 -0.48 0.00 -3.12 0.00 0.00 179.24 176.71 2ka9 h ALA 168 N 0.98 0.75 -0.18 3.45 0.00 -0.78 0.15 119.26 123.63 2ka9 h ALA 168 Ca 0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 2ka9 h ALA 168 Cb 1.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2ka9 h ALA 168 CO 0.10 0.67 -0.47 0.28 0.00 0.00 0.00 179.25 179.82 2ka9 h VAL 169 N 0.46 1.33 -0.02 0.00 2.07 -0.90 -0.88 116.25 118.30 2ka9 h VAL 169 Ca 0.02 -1.71 -0.12 0.00 0.82 0.00 0.00 66.70 65.71 2ka9 h VAL 169 Cb 1.01 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2ka9 h VAL 169 CO 0.09 0.53 -0.56 0.00 0.02 0.00 0.00 177.57 177.66 2ka9 h ALA 170 N 0.57 1.03 0.00 1.67 0.00 -0.87 -1.62 119.26 120.05 2ka9 h ALA 170 Ca -0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2ka9 h ALA 170 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2ka9 h ALA 170 CO 0.10 0.70 -0.53 0.00 0.00 0.00 0.00 179.25 179.52 2ka9 h ALA 171 N 1.38 0.73 0.24 0.00 0.00 -0.65 -0.96 119.26 120.00 2ka9 h ALA 171 Ca -0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 2ka9 h ALA 171 Cb 1.00 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.74 2ka9 h ALA 171 CO 0.08 0.66 -1.55 1.37 0.00 0.00 0.00 179.25 179.81 2ka9 h LEU 172 N 0.00 0.79 -0.53 0.00 8.10 -0.96 -3.29 115.31 119.43 2ka9 h LEU 172 Ca -0.01 -0.91 -0.11 0.00 0.11 0.00 0.00 57.88 56.97 2ka9 h LEU 172 Cb 1.29 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 41.24 2ka9 h LEU 172 CO 0.07 1.73 -0.50 0.07 -4.11 0.00 0.00 178.44 175.69 2ka9 h LYS 173 N 0.14 0.00 0.00 0.17 2.10 -1.35 -2.94 116.57 114.69 2ka9 h LYS 173 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2ka9 h LYS 173 Cb 2.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.49 2ka9 h LYS 173 CO 0.25 0.50 0.00 0.09 -2.00 0.00 0.00 179.45 178.30 2ka9 n ASN 174 N -3.44 0.00 -3.39 7.07 5.03 -0.36 -4.82 115.26 115.35 2ka9 n ASN 174 Ca 0.00 0.49 -0.14 0.00 0.87 0.00 0.00 54.58 55.80 2ka9 n ASN 174 Cb 0.63 -0.49 0.14 0.00 -1.02 0.00 0.00 39.78 39.04 2ka9 n ASN 174 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2ka9 n THR 175 N -1.49 0.00 -3.30 3.41 -2.24 -1.11 -5.02 114.28 104.53 2ka9 n THR 175 Ca 0.03 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 2ka9 n THR 175 Cb 0.16 -0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.82 2.79 0.65 4.78 5.04 -1.26 -4.98 117.35 122.55 2ka9 s TYR 176 Ca 0.31 -0.42 0.28 0.00 -2.44 0.00 0.00 57.07 54.80 2ka9 s TYR 176 Cb -0.06 -2.25 1.49 0.00 0.35 0.00 0.00 41.96 41.49 2ka9 s TYR 176 CO 0.26 -0.25 1.85 0.22 -1.34 0.00 0.00 175.55 176.30 2ka9 h ASP 177 N 0.84 0.00 -2.00 4.32 3.58 -1.92 -3.30 116.42 117.93 2ka9 h ASP 177 Ca -0.41 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.67 2ka9 h ASP 177 Cb 1.27 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 42.01 2ka9 h ASP 177 CO 0.51 0.00 -0.69 -0.69 -2.88 0.00 0.00 179.24 175.49 2ka9 s VAL 178 N -4.21 -0.32 0.09 2.25 1.01 -1.26 0.50 120.40 118.47 2ka9 s VAL 178 Ca -0.03 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.08 2ka9 s VAL 178 Cb 0.10 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2ka9 s VAL 178 CO 0.32 -0.59 -0.20 0.68 0.00 0.00 0.00 175.10 175.30 2ka9 s VAL 179 N 1.54 2.66 -0.23 2.92 -7.23 -0.90 -4.97 120.40 114.19 2ka9 s VAL 179 Ca 0.16 -1.46 -0.09 0.00 -1.81 0.00 0.00 61.98 58.78 2ka9 s VAL 179 Cb -0.15 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2ka9 s VAL 179 CO -0.07 0.18 0.12 -0.31 -0.31 0.00 0.00 175.10 174.71 2ka9 s TYR 180 N -1.04 3.22 0.01 2.82 2.02 -1.26 -0.20 117.35 122.91 2ka9 s TYR 180 Ca 0.16 0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2ka9 s TYR 180 Cb -0.10 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 2ka9 s TYR 180 CO 0.07 -0.06 0.08 -0.51 -1.57 0.00 0.00 175.55 173.57 2ka9 s LEU 181 N 1.14 3.87 -0.34 -1.29 1.02 0.37 0.02 118.68 123.48 2ka9 s LEU 181 Ca 0.06 0.11 -0.16 0.00 0.02 0.00 0.00 54.13 54.17 2ka9 s LEU 181 Cb -0.14 -2.31 -0.01 0.00 0.02 0.00 0.00 46.19 43.75 2ka9 s LEU 181 CO 0.04 0.25 0.39 -0.75 0.02 0.00 0.00 176.35 176.30 2ka9 s LYS 182 N -1.85 3.62 0.25 1.70 2.47 0.20 -0.52 119.74 125.62 2ka9 s LYS 182 Ca 0.24 -0.33 0.06 0.00 -1.56 0.00 0.00 55.97 54.38 2ka9 s LYS 182 Cb -0.12 -3.79 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 2ka9 s LYS 182 CO 0.15 -0.52 0.32 0.08 0.16 0.00 0.00 175.35 175.54 2ka9 s VAL 183 N 2.08 4.93 -0.02 4.02 1.01 -0.74 -0.47 120.40 131.21 2ka9 s VAL 183 Ca 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2ka9 s VAL 183 Cb -0.16 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2ka9 s VAL 183 CO 0.12 -0.32 0.02 0.00 0.00 0.00 0.00 175.10 174.91 2ka9 s ALA 184 N -2.04 0.10 0.29 5.51 0.00 0.15 0.38 121.76 126.16 2ka9 s ALA 184 Ca 0.34 0.20 -0.20 0.00 0.00 0.00 0.00 51.96 52.30 2ka9 s ALA 184 Cb -0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 2ka9 s ALA 184 CO 0.28 -0.07 0.80 0.15 0.00 0.00 0.00 175.76 176.92 2ka9 s LYS 185 N 0.77 4.25 0.80 0.00 1.02 -0.91 -4.28 119.74 121.39 2ka9 s LYS 185 Ca -0.07 0.94 -0.14 0.00 0.02 0.00 0.00 55.97 56.72 2ka9 s LYS 185 Cb -0.10 -2.66 0.06 0.00 -0.52 0.00 0.00 37.83 34.62 2ka9 s LYS 185 CO -0.02 0.26 1.08 -2.30 -0.92 0.00 0.00 175.35 173.45 2ka9 n PRO 186 N 0.23 0.23 -2.54 -1.68 -0.02 -1.26 -2.88 135.00 127.07 2ka9 n PRO 186 Ca 0.01 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 2ka9 n PRO 186 Cb 0.52 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ka9 s SER 187 N -1.99 6.31 -0.87 2.55 0.15 -1.26 0.92 113.70 119.51 2ka9 s SER 187 Ca 0.72 -0.94 -0.06 0.00 0.70 0.00 0.00 55.95 56.37 2ka9 s SER 187 Cb -0.30 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.50 2ka9 s SER 187 CO 0.52 -1.69 0.23 -0.46 1.20 0.00 0.00 173.24 173.04 2ka9 n ASN 188 N 9.23 -2.55 0.00 5.45 0.23 -1.26 -4.68 115.26 121.68 2ka9 n ASN 188 Ca 0.19 -0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2ka9 n ASN 188 Cb 0.50 -2.20 0.00 0.00 -2.08 0.00 0.00 39.78 36.00 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33