#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 2.90 -0.16 0.03 -6.30 0.37 -4.85 118.70 110.68 2ka9 s GLU 2 Ca 0.00 -0.98 -0.03 0.00 -2.50 0.00 0.00 54.97 51.45 2ka9 s GLU 2 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 34.13 30.76 2ka9 s GLU 2 CO 0.00 -0.51 -0.04 0.71 0.02 0.00 0.00 175.26 175.43 2ka9 s TYR 3 N 1.44 3.00 -0.05 5.30 2.02 -1.26 -1.13 117.35 126.66 2ka9 s TYR 3 Ca 0.01 -0.38 -0.31 0.00 -0.37 0.00 0.00 57.07 56.01 2ka9 s TYR 3 Cb -0.18 -1.97 0.13 0.00 -0.40 0.00 0.00 41.96 39.54 2ka9 s TYR 3 CO 0.02 -0.10 1.36 -2.00 -1.57 0.00 0.00 175.55 173.25 2ka9 s GLU 4 N 0.48 0.21 0.25 -0.62 -6.30 -0.99 -5.04 118.70 106.71 2ka9 s GLU 4 Ca -0.04 -0.12 -0.10 0.00 -2.50 0.00 0.00 54.97 52.21 2ka9 s GLU 4 Cb -0.14 0.07 -0.07 0.00 0.00 0.00 0.00 34.13 33.98 2ka9 s GLU 4 CO 0.03 -0.10 0.58 -1.83 0.02 0.00 0.00 175.26 173.96 2ka9 s GLU 5 N -2.17 3.82 0.03 4.30 1.03 -1.26 -1.70 118.70 122.73 2ka9 s GLU 5 Ca 0.18 0.32 -0.06 0.00 0.03 0.00 0.00 54.97 55.43 2ka9 s GLU 5 Cb 0.05 -2.61 -0.01 0.00 -0.80 0.00 0.00 34.13 30.77 2ka9 s GLU 5 CO -0.05 0.28 0.11 0.42 -1.33 0.00 0.00 175.26 174.69 2ka9 s ILE 6 N -1.88 0.12 -0.15 1.83 1.01 0.73 -4.96 121.20 117.90 2ka9 s ILE 6 Ca 0.48 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2ka9 s ILE 6 Cb -0.11 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.61 2ka9 s ILE 6 CO 0.22 -0.53 -0.16 0.42 0.00 0.00 0.00 174.94 174.88 2ka9 s THR 7 N -2.23 2.57 -0.44 2.92 -4.23 -1.25 -1.66 115.64 111.32 2ka9 s THR 7 Ca -0.08 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 2ka9 s THR 7 Cb -0.03 -2.07 0.13 0.00 1.34 0.00 0.00 72.50 71.86 2ka9 s THR 7 CO -0.03 0.52 0.22 -0.22 -0.54 0.00 0.00 174.62 174.57 2ka9 s LEU 8 N 0.78 3.15 0.73 4.79 2.96 -0.67 -4.92 118.68 125.50 2ka9 s LEU 8 Ca -0.06 -2.60 -0.11 0.00 -0.22 0.00 0.00 54.13 51.14 2ka9 s LEU 8 Cb -0.15 -1.20 0.03 0.00 0.50 0.00 0.00 46.19 45.36 2ka9 s LEU 8 CO 0.00 -0.28 1.08 -1.61 -1.32 0.00 0.00 176.35 174.22 2ka9 s GLU 9 N 0.35 2.70 -0.69 1.98 2.02 -1.26 -2.40 118.70 121.39 2ka9 s GLU 9 Ca 0.16 0.66 -0.26 0.00 0.02 0.00 0.00 54.97 55.55 2ka9 s GLU 9 Cb -0.24 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 2ka9 s GLU 9 CO -0.02 -1.19 1.90 0.50 0.02 0.00 0.00 175.26 176.46 2ka9 s ARG 10 N -5.20 2.59 0.62 1.61 3.52 0.29 -4.63 118.95 117.74 2ka9 s ARG 10 Ca 0.59 0.38 0.32 0.00 -0.13 0.00 0.00 55.73 56.88 2ka9 s ARG 10 Cb -0.13 -4.58 1.76 0.00 -1.56 0.00 0.00 34.95 30.44 2ka9 s ARG 10 CO 0.54 -2.93 2.08 0.78 -0.81 0.00 0.00 175.30 174.96 2ka9 h GLY 11 N 16.91 0.00 0.00 8.12 0.00 -1.89 -3.45 103.07 122.77 2ka9 h GLY 11 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2ka9 h GLY 11 CO 1.21 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.45 2ka9 n ASN 12 N -3.47 0.00 -1.52 0.19 3.02 -1.26 -4.91 115.26 107.31 2ka9 n ASN 12 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 2ka9 n ASN 12 Cb 0.33 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.69 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ka9 n SER 13 N -0.29 3.01 0.00 6.41 7.64 -1.26 -5.05 113.62 124.09 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 -1.12 1.48 0.12 0.23 0.00 -1.26 -4.94 105.19 99.69 2ka9 n GLY 14 Ca 0.42 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 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 0.35 -1.44 0.99 4.07 -1.92 -2.86 115.31 114.49 2ka9 h LEU 15 Ca 0.00 -0.86 0.00 0.00 0.08 0.00 0.00 57.88 57.10 2ka9 h LEU 15 Cb 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.63 2ka9 h LEU 15 CO 0.00 1.51 0.00 0.61 -1.08 0.00 0.00 178.44 179.48 2ka9 n GLY 16 N 1.69 0.11 3.50 0.83 0.00 -1.26 0.12 105.19 110.17 2ka9 n GLY 16 Ca -0.22 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2ka9 n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 17 N -1.05 -0.49 -0.17 1.61 -0.12 -1.26 -1.97 117.98 114.53 2ka9 s PHE 17 Ca 0.00 0.57 -0.02 0.00 -0.05 0.00 0.00 56.93 57.43 2ka9 s PHE 17 Cb 0.00 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 2ka9 s PHE 17 CO 0.00 -0.62 -0.08 0.45 -0.05 0.00 0.00 175.22 174.92 2ka9 s SER 18 N -1.97 4.33 0.33 1.98 0.15 0.16 -4.93 113.70 113.75 2ka9 s SER 18 Ca -0.02 -0.29 0.10 0.00 0.70 0.00 0.00 55.95 56.44 2ka9 s SER 18 Cb -0.01 -1.70 -0.06 0.00 -1.71 0.00 0.00 66.02 62.54 2ka9 s SER 18 CO -0.03 0.11 -0.11 0.27 1.20 0.00 0.00 173.24 174.67 2ka9 s ILE 19 N 0.70 2.23 -0.11 6.45 -4.36 -1.26 0.39 121.20 125.25 2ka9 s ILE 19 Ca -0.04 -2.24 -0.31 0.00 -0.26 0.00 0.00 60.65 57.80 2ka9 s ILE 19 Cb -0.15 -2.56 0.12 0.00 1.25 0.00 0.00 42.46 41.13 2ka9 s ILE 19 CO 0.02 -0.25 1.03 0.00 0.24 0.00 0.00 174.94 175.97 2ka9 s ALA 20 N -2.63 -1.93 0.00 2.27 0.00 -1.15 -4.91 121.76 113.41 2ka9 s ALA 20 Ca 0.32 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2ka9 s ALA 20 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2ka9 s ALA 20 CO 0.16 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2ka9 n GLY 21 N 0.09 0.27 0.00 0.00 0.00 -1.26 -3.84 105.19 100.45 2ka9 n GLY 21 Ca -0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 3.40 0.47 -0.02 0.00 -1.20 -4.19 105.19 103.65 2ka9 n GLY 22 Ca 0.00 -1.38 0.27 0.00 0.00 0.00 0.00 46.02 44.91 2ka9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h THR 23 N 0.00 0.29 0.09 2.61 1.03 -1.26 0.70 112.91 116.38 2ka9 h THR 23 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 66.41 66.12 2ka9 h THR 23 Cb 0.00 0.42 -0.01 0.00 -1.07 0.00 0.00 68.15 67.49 2ka9 h THR 23 CO 0.00 0.00 -1.47 -0.78 -0.01 0.00 0.00 175.52 173.26 2ka9 h ASP 24 N 0.00 0.31 -2.85 0.00 3.58 -1.88 -3.42 116.42 112.16 2ka9 h ASP 24 Ca 0.38 -0.81 -0.61 0.00 0.42 0.00 0.00 57.03 56.41 2ka9 h ASP 24 Cb 1.89 -0.10 -0.41 0.00 1.72 0.00 0.00 39.33 42.42 2ka9 h ASP 24 CO -0.00 1.63 -0.65 0.59 -2.88 0.00 0.00 179.24 177.92 2ka9 n ASN 25 N -3.95 2.47 -4.61 2.28 4.13 0.12 -5.10 115.26 110.60 2ka9 n ASN 25 Ca -0.27 -3.09 -0.47 0.00 1.68 0.00 0.00 54.58 52.42 2ka9 n ASN 25 Cb 0.88 -0.71 -0.04 0.00 -1.54 0.00 0.00 39.78 38.37 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 1.96 1.49 0.25 3.52 -0.02 -0.50 -3.23 135.00 138.47 2ka9 n PRO 26 Ca 0.23 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 2ka9 n PRO 26 Cb 0.38 -2.10 0.60 0.00 -0.02 0.00 0.00 33.50 32.36 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 3.82 0.00 0.00 6.00 2.76 -1.80 -3.21 115.15 122.72 2ka9 h HIS 27 Ca -0.44 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.53 2ka9 h HIS 27 Cb 1.32 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.24 2ka9 h HIS 27 CO 0.55 0.14 -1.76 0.44 -1.30 0.00 0.00 177.93 176.01 2ka9 n ILE 28 N -3.35 0.76 -0.38 6.26 -5.35 -1.26 -4.95 119.36 111.08 2ka9 n ILE 28 Ca -0.00 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 2ka9 n ILE 28 Cb 0.34 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 2ka9 n ILE 28 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ka9 n GLY 29 N 2.36 1.48 1.14 3.28 0.00 -1.22 -4.95 105.19 107.29 2ka9 n GLY 29 Ca -0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 2ka9 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka9 n ASP 30 N 0.43 -0.43 -3.18 1.61 8.00 -1.26 -5.05 116.55 116.66 2ka9 n ASP 30 Ca 0.00 -1.00 0.05 0.00 0.71 0.00 0.00 54.79 54.55 2ka9 n ASP 30 Cb 0.08 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 2ka9 n ASP 30 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2ka9 s ASP 31 N -0.38 -0.70 0.37 -2.24 1.01 -1.26 -5.03 116.67 108.44 2ka9 s ASP 31 Ca 0.01 0.49 0.12 0.00 0.71 0.00 0.00 52.55 53.88 2ka9 s ASP 31 Cb 0.06 1.61 0.72 0.00 1.01 0.00 0.00 42.92 46.32 2ka9 s ASP 31 CO -0.02 -0.13 1.83 -0.65 0.21 0.00 0.00 175.17 176.41 2ka9 h PRO 32 N 7.95 0.01 -6.58 8.23 0.11 -1.88 -3.43 132.00 136.41 2ka9 h PRO 32 Ca -0.16 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.42 2ka9 h PRO 32 Cb 1.16 -0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.31 2ka9 h PRO 32 CO 0.01 0.37 0.89 -1.12 -0.21 0.00 0.00 178.00 177.94 2ka9 s SER 33 N -6.94 6.60 0.48 -2.05 0.01 -1.25 -3.04 113.70 107.51 2ka9 s SER 33 Ca -0.03 2.59 -0.19 0.00 1.31 0.00 0.00 55.95 59.63 2ka9 s SER 33 Cb 0.14 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 2ka9 s SER 33 CO 0.73 -0.83 0.98 -0.63 0.41 0.00 0.00 173.24 173.90 2ka9 s ILE 34 N 1.36 4.37 0.14 1.44 1.09 -1.26 -4.83 121.20 123.51 2ka9 s ILE 34 Ca 0.70 1.30 -0.03 0.00 -1.10 0.00 0.00 60.65 61.52 2ka9 s ILE 34 Cb -0.43 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.31 2ka9 s ILE 34 CO 0.31 -0.49 0.12 0.72 -0.10 0.00 0.00 174.94 175.50 2ka9 s PHE 35 N -2.38 0.71 0.24 3.97 -0.71 -1.25 -3.40 117.98 115.15 2ka9 s PHE 35 Ca 0.61 -1.09 -0.04 0.00 -1.04 0.00 0.00 56.93 55.38 2ka9 s PHE 35 Cb -0.10 -0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.31 2ka9 s PHE 35 CO 0.23 -0.58 0.47 0.42 -1.34 0.00 0.00 175.22 174.43 2ka9 s ILE 36 N -4.02 5.10 -0.18 -4.49 1.01 0.28 -2.92 121.20 115.98 2ka9 s ILE 36 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 2ka9 s ILE 36 Cb 0.06 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.72 2ka9 s ILE 36 CO 0.01 -0.21 -0.19 0.35 0.00 0.00 0.00 174.94 174.90 2ka9 n THR 37 N -0.67 0.99 -3.58 2.92 -2.24 0.16 -2.63 114.28 109.23 2ka9 n THR 37 Ca -0.03 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 2ka9 n THR 37 Cb 0.53 -1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.34 0.99 -0.04 -0.78 0.00 -1.24 -4.75 119.74 111.58 2ka9 s LYS 38 Ca -0.24 -0.07 0.02 0.00 0.00 0.00 0.00 55.97 55.68 2ka9 s LYS 38 Cb 0.08 0.46 -0.03 0.00 0.00 0.00 0.00 37.83 38.33 2ka9 s LYS 38 CO 0.36 -0.33 -0.08 0.42 0.00 0.00 0.00 175.35 175.72 2ka9 s ILE 39 N -1.87 3.61 0.05 3.79 1.01 -1.26 0.40 121.20 126.93 2ka9 s ILE 39 Ca -0.08 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 59.74 2ka9 s ILE 39 Cb -0.01 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 2ka9 s ILE 39 CO 0.03 0.54 0.70 -0.63 0.00 0.00 0.00 174.94 175.58 2ka9 s ILE 40 N -0.86 4.74 -1.05 2.92 1.01 -0.83 -4.95 121.20 122.18 2ka9 s ILE 40 Ca 0.14 1.49 -0.08 0.00 0.00 0.00 0.00 60.65 62.20 2ka9 s ILE 40 Cb -0.11 -4.05 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 2ka9 s ILE 40 CO 0.03 0.42 2.90 -0.81 0.00 0.00 0.00 174.94 177.48 2ka9 n PRO 41 N 2.54 2.89 0.07 2.79 -0.04 -1.26 -3.72 135.00 138.26 2ka9 n PRO 41 Ca -0.05 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 2ka9 n PRO 41 Cb 0.50 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.33 -0.86 1.55 0.55 0.00 -1.26 -5.10 105.19 103.40 2ka9 n GLY 42 Ca 0.62 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.62 2ka9 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 43 N -0.76 -3.80 0.10 -0.02 0.00 -1.24 -4.90 105.19 94.57 2ka9 n GLY 43 Ca 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 2ka9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 44 N -2.80 0.69 -0.59 4.61 0.00 -0.08 -3.31 119.26 117.79 2ka9 h ALA 44 Ca -0.19 -0.70 0.12 0.00 0.00 0.00 0.00 54.91 54.13 2ka9 h ALA 44 Cb 0.64 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 2ka9 h ALA 44 CO 0.11 0.97 -0.20 0.00 0.00 0.00 0.00 179.25 180.13 2ka9 h ALA 45 N 1.23 0.28 0.00 0.00 0.00 0.67 0.60 119.26 122.04 2ka9 h ALA 45 Ca -0.01 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2ka9 h ALA 45 Cb 1.40 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2ka9 h ALA 45 CO 0.10 -0.49 -0.31 0.00 0.00 0.00 0.00 179.25 178.55 2ka9 h ALA 46 N 1.44 1.31 -0.21 0.00 0.00 -1.73 0.72 119.26 120.79 2ka9 h ALA 46 Ca 0.27 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2ka9 h ALA 46 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ka9 h ALA 46 CO -0.63 0.39 -0.64 1.96 0.00 0.00 0.00 179.25 180.32 2ka9 h GLN 47 N 0.00 0.77 0.03 0.00 1.08 -0.46 -3.12 115.11 113.40 2ka9 h GLN 47 Ca -0.00 -0.54 -0.24 0.00 -1.45 0.00 0.00 58.65 56.42 2ka9 h GLN 47 Cb 0.62 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.11 2ka9 h GLN 47 CO 0.04 1.16 -1.16 0.22 -0.95 0.00 0.00 178.83 178.15 2ka9 h ASP 48 N 0.56 0.09 -4.78 1.46 3.58 0.33 -3.47 116.42 114.19 2ka9 h ASP 48 Ca -0.01 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 2ka9 h ASP 48 Cb 1.25 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 2ka9 h ASP 48 CO 0.13 1.08 -0.12 0.61 -2.88 0.00 0.00 179.24 178.06 2ka9 n GLY 49 N 1.42 -0.03 1.94 -0.78 0.00 0.25 -4.70 105.19 103.29 2ka9 n GLY 49 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 2ka9 n GLY 49 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ka9 n ARG 50 N -1.32 4.10 -3.45 1.61 0.00 -1.26 -4.96 116.66 111.38 2ka9 n ARG 50 Ca -0.03 -3.00 -0.02 0.00 -0.00 0.00 0.00 57.85 54.80 2ka9 n ARG 50 Cb 0.08 -2.22 0.02 0.00 -0.00 0.00 0.00 32.46 30.34 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 0.16 0.00 -4.63 2.89 -0.00 -1.26 -5.08 117.00 109.08 2ka9 n LEU 51 Ca 0.35 -1.19 -0.29 0.00 -0.00 0.00 0.00 56.01 54.89 2ka9 n LEU 51 Cb 1.29 2.30 -0.10 0.00 -0.00 0.00 0.00 43.42 46.91 2ka9 n LEU 51 CO 0.39 -0.40 -0.28 -0.13 -0.00 0.00 0.00 177.39 176.97 2ka9 s ARG 52 N -2.04 1.98 0.01 1.47 1.81 -1.26 -5.07 118.95 115.86 2ka9 s ARG 52 Ca 0.19 -2.15 -0.22 0.00 -1.72 0.00 0.00 55.73 51.84 2ka9 s ARG 52 Cb -0.02 -1.57 -0.17 0.00 -0.45 0.00 0.00 34.95 32.73 2ka9 s ARG 52 CO 0.04 -0.11 1.26 -0.39 -0.68 0.00 0.00 175.30 175.42 2ka9 h VAL 53 N 1.72 1.40 0.00 3.52 -1.51 -1.87 -3.15 116.25 116.35 2ka9 h VAL 53 Ca -0.44 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 2ka9 h VAL 53 Cb 1.25 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 2ka9 h VAL 53 CO 0.79 0.42 0.00 0.59 -1.23 0.00 0.00 177.57 178.14 2ka9 n ASN 54 N -4.54 0.07 -3.48 4.19 3.02 -1.08 0.98 115.26 114.42 2ka9 n ASN 54 Ca -0.07 -0.94 -0.30 0.00 -0.03 0.00 0.00 54.58 53.24 2ka9 n ASN 54 Cb 0.40 -0.04 0.26 0.00 -0.61 0.00 0.00 39.78 39.80 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 -0.38 -2.50 -3.64 6.41 5.75 -1.19 -4.84 116.55 116.14 2ka9 n ASP 55 Ca 0.00 -1.11 -0.29 0.00 -0.01 0.00 0.00 54.79 53.38 2ka9 n ASP 55 Cb 0.02 -0.99 -0.15 0.00 -1.03 0.00 0.00 41.12 38.96 2ka9 n ASP 55 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2ka9 s SER 56 N -4.17 3.77 -0.66 -1.12 0.15 0.26 -4.14 113.70 107.79 2ka9 s SER 56 Ca 0.70 -1.45 -0.26 0.00 0.70 0.00 0.00 55.95 55.64 2ka9 s SER 56 Cb -0.08 -0.62 -0.10 0.00 -1.71 0.00 0.00 66.02 63.52 2ka9 s SER 56 CO 0.54 -0.42 2.35 0.27 1.20 0.00 0.00 173.24 177.18 2ka9 s ILE 57 N 1.85 3.05 0.33 6.45 -4.36 -1.22 -0.63 121.20 126.67 2ka9 s ILE 57 Ca 0.09 -0.01 0.26 0.00 -0.26 0.00 0.00 60.65 60.73 2ka9 s ILE 57 Cb -0.17 -3.12 0.27 0.00 1.25 0.00 0.00 42.46 40.69 2ka9 s ILE 57 CO -0.30 -0.12 1.99 -0.07 0.24 0.00 0.00 174.94 176.68 2ka9 h LEU 58 N 20.70 0.00 -7.00 0.37 3.38 0.37 -3.35 115.31 129.79 2ka9 h LEU 58 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2ka9 h LEU 58 Cb 1.13 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.72 2ka9 h LEU 58 CO 1.10 0.16 0.23 -0.36 0.09 0.00 0.00 178.44 179.66 2ka9 s PHE 59 N -4.03 -0.57 0.28 1.13 0.08 0.18 -3.27 117.98 111.77 2ka9 s PHE 59 Ca -0.02 0.66 0.02 0.00 0.12 0.00 0.00 56.93 57.72 2ka9 s PHE 59 Cb 0.12 0.49 -0.01 0.00 -0.57 0.00 0.00 43.02 43.06 2ka9 s PHE 59 CO 0.61 -0.71 0.09 1.55 -0.10 0.00 0.00 175.22 176.65 2ka9 n VAL 60 N 0.20 0.00 -1.04 -0.44 3.14 -0.32 0.12 118.33 119.99 2ka9 n VAL 60 Ca -0.17 -1.61 -0.01 0.00 -2.96 0.00 0.00 64.34 59.59 2ka9 n VAL 60 Cb 0.61 0.55 -0.01 0.00 -1.06 0.00 0.00 33.84 33.94 2ka9 n VAL 60 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2ka9 n ASN 61 N -1.65 -1.63 -1.42 6.55 2.85 -1.08 -0.72 115.26 118.16 2ka9 n ASN 61 Ca -0.05 -1.40 -0.17 0.00 -0.11 0.00 0.00 54.58 52.85 2ka9 n ASN 61 Cb 0.42 -0.62 -0.06 0.00 1.24 0.00 0.00 39.78 40.75 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2ka9 n GLU 62 N 4.69 -1.22 -5.04 1.20 2.13 -1.26 -4.99 120.64 116.16 2ka9 n GLU 62 Ca 0.03 1.05 -0.29 0.00 0.66 0.00 0.00 57.16 58.62 2ka9 n GLU 62 Cb 0.47 -5.32 -0.15 0.00 0.27 0.00 0.00 31.44 26.71 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ka9 s VAL 63 N -2.67 1.94 -1.21 6.31 1.01 0.10 -5.06 120.40 120.82 2ka9 s VAL 63 Ca 0.00 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 2ka9 s VAL 63 Cb 0.00 -1.64 0.09 0.00 0.00 0.00 0.00 36.38 34.83 2ka9 s VAL 63 CO 0.00 0.44 1.60 -1.81 0.00 0.00 0.00 175.10 175.33 2ka9 s ASP 64 N -0.86 6.82 -0.35 3.32 1.11 -1.26 -1.17 116.67 124.28 2ka9 s ASP 64 Ca 0.10 -2.36 0.02 0.00 0.18 0.00 0.00 52.55 50.49 2ka9 s ASP 64 Cb -0.09 -2.53 0.48 0.00 1.07 0.00 0.00 42.92 41.84 2ka9 s ASP 64 CO 0.00 -1.14 1.72 1.33 1.18 0.00 0.00 175.17 178.26 2ka9 n VAL 65 N 6.09 2.69 1.42 -1.27 0.24 -1.26 -4.29 118.33 121.96 2ka9 n VAL 65 Ca 0.43 -1.51 0.14 0.00 -2.04 0.00 0.00 64.34 61.36 2ka9 n VAL 65 Cb 0.46 -0.68 0.61 0.00 -1.47 0.00 0.00 33.84 32.76 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 -0.67 0.74 0.00 7.34 1.85 -1.20 -4.40 116.66 120.32 2ka9 n ARG 66 Ca 0.44 -0.26 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 2ka9 n ARG 66 Cb 1.29 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 31.20 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 -0.90 0.00 -5.00 2.89 0.28 -1.26 -3.80 120.64 112.85 2ka9 n GLU 67 Ca 0.15 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.84 2ka9 n GLU 67 Cb 0.28 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.00 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ka9 s VAL 68 N 0.00 2.32 0.98 3.84 -7.23 -1.26 -4.63 120.40 114.42 2ka9 s VAL 68 Ca 0.00 -1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 58.84 2ka9 s VAL 68 Cb 0.00 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 35.06 2ka9 s VAL 68 CO 0.00 0.46 0.13 0.41 -0.31 0.00 0.00 175.10 175.79 2ka9 n THR 69 N 2.02 0.00 -0.12 5.32 -1.04 -1.26 -1.75 114.28 117.45 2ka9 n THR 69 Ca -0.16 -0.25 -0.04 0.00 -2.04 0.00 0.00 64.05 61.56 2ka9 n THR 69 Cb 0.52 -0.51 0.03 0.00 -1.82 0.00 0.00 70.33 68.55 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2ka9 h HIS 70 N -1.52 0.02 -0.82 -1.42 2.76 -1.83 -1.93 115.15 110.41 2ka9 h HIS 70 Ca -0.45 0.03 0.17 0.00 -2.20 0.00 0.00 60.37 57.93 2ka9 h HIS 70 Cb 1.30 0.05 -0.11 0.00 1.55 0.00 0.00 27.41 30.20 2ka9 h HIS 70 CO 0.33 -0.06 0.33 0.77 -1.30 0.00 0.00 177.93 178.00 2ka9 h SER 71 N 0.13 0.29 -0.21 3.26 0.02 -1.92 0.43 113.55 115.55 2ka9 h SER 71 Ca 0.20 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2ka9 h SER 71 Cb 0.28 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2ka9 h SER 71 CO -0.32 0.06 0.08 0.00 -1.14 0.00 0.00 176.83 175.51 2ka9 h ALA 72 N 1.62 1.63 -0.24 3.77 0.00 -1.67 0.99 119.26 125.35 2ka9 h ALA 72 Ca 0.47 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 2ka9 h ALA 72 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ka9 h ALA 72 CO -0.46 0.29 -0.57 0.00 0.00 0.00 0.00 179.25 178.51 2ka9 h ALA 73 N 1.71 0.40 -0.43 0.00 0.00 -0.02 -1.50 119.26 119.42 2ka9 h ALA 73 Ca 0.09 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2ka9 h ALA 73 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ka9 h ALA 73 CO -0.01 0.63 0.02 0.28 0.00 0.00 0.00 179.25 180.18 2ka9 h VAL 74 N 0.57 1.22 -0.15 0.00 2.07 -0.08 -1.31 116.25 118.57 2ka9 h VAL 74 Ca -0.00 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 2ka9 h VAL 74 Cb 1.18 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2ka9 h VAL 74 CO 0.12 0.31 -0.43 -0.33 0.02 0.00 0.00 177.57 177.26 2ka9 h GLU 75 N 0.65 0.36 -0.28 1.57 5.08 -0.67 0.39 114.58 121.68 2ka9 h GLU 75 Ca 0.13 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2ka9 h GLU 75 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2ka9 h GLU 75 CO 0.01 0.73 -0.25 0.00 -1.00 0.00 0.00 179.01 178.50 2ka9 h ALA 76 N 1.25 0.40 0.00 3.43 0.00 -0.62 0.96 119.26 124.68 2ka9 h ALA 76 Ca 0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2ka9 h ALA 76 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2ka9 h ALA 76 CO 0.07 0.39 -0.55 1.37 0.00 0.00 0.00 179.25 180.53 2ka9 h LEU 77 N 0.39 0.00 -0.23 0.00 8.10 -1.18 -0.24 115.31 122.16 2ka9 h LEU 77 Ca 0.05 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.90 2ka9 h LEU 77 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 2ka9 h LEU 77 CO 0.06 0.55 -0.40 0.50 -4.11 0.00 0.00 178.44 175.04 2ka9 h LYS 78 N 0.00 0.67 -0.78 0.17 3.64 -0.04 -3.08 116.57 117.14 2ka9 h LYS 78 Ca -0.01 -0.42 -0.40 0.00 -1.27 0.00 0.00 60.65 58.55 2ka9 h LYS 78 Cb 1.24 0.05 -0.24 0.00 -0.41 0.00 0.00 32.23 32.86 2ka9 h LYS 78 CO 0.07 1.04 0.41 0.39 -2.27 0.00 0.00 179.45 179.09 2ka9 n GLU 79 N -4.22 2.16 0.08 1.90 1.02 0.32 -4.41 120.64 117.48 2ka9 n GLU 79 Ca -0.05 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.02 2ka9 n GLU 79 Cb 0.54 -2.06 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka9 h ALA 80 N 1.05 0.64 -0.12 0.62 0.00 -0.94 -3.48 119.26 117.03 2ka9 h ALA 80 Ca 0.50 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ka9 h ALA 80 Cb 2.47 0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.37 2ka9 h ALA 80 CO 0.87 0.83 0.00 0.41 0.00 0.00 0.00 179.25 181.35 2ka9 n GLY 81 N 1.32 0.65 0.07 0.00 0.00 -1.26 -3.84 105.19 102.14 2ka9 n GLY 81 Ca -0.04 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 4.47 2.01 -3.31 1.61 7.64 -1.26 -4.79 113.62 120.00 2ka9 n SER 82 Ca 0.00 -2.60 -0.10 0.00 1.01 0.00 0.00 58.87 57.18 2ka9 n SER 82 Cb 0.00 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 62.88 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 83 N -2.00 -0.57 0.28 0.44 1.01 -1.25 0.10 121.20 119.21 2ka9 s ILE 83 Ca 0.19 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 2ka9 s ILE 83 Cb 0.16 -0.55 -0.08 0.00 0.01 0.00 0.00 42.46 41.99 2ka9 s ILE 83 CO 0.02 -0.37 0.68 -0.69 0.00 0.00 0.00 174.94 174.58 2ka9 s VAL 84 N 1.76 4.74 -0.40 2.92 1.01 -1.01 -4.90 120.40 124.51 2ka9 s VAL 84 Ca 0.15 0.87 0.02 0.00 0.00 0.00 0.00 61.98 63.02 2ka9 s VAL 84 Cb -0.12 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 32.77 2ka9 s VAL 84 CO -0.10 -0.09 0.29 -0.60 0.00 0.00 0.00 175.10 174.60 2ka9 s ARG 85 N -2.77 0.88 0.18 2.72 3.52 -1.26 -1.67 118.95 120.56 2ka9 s ARG 85 Ca 0.50 -1.86 0.10 0.00 -0.13 0.00 0.00 55.73 54.35 2ka9 s ARG 85 Cb -0.11 -1.56 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 2ka9 s ARG 85 CO 0.19 -1.29 -0.16 -0.48 -0.81 0.00 0.00 175.30 172.75 2ka9 s LEU 86 N 0.41 2.75 -0.31 -0.88 0.05 -0.66 -2.64 118.68 117.40 2ka9 s LEU 86 Ca 0.25 -0.69 -0.09 0.00 0.05 0.00 0.00 54.13 53.65 2ka9 s LEU 86 Cb -0.10 -1.46 0.00 0.00 -2.05 0.00 0.00 46.19 42.58 2ka9 s LEU 86 CO -0.10 0.11 0.13 -0.47 -0.55 0.00 0.00 176.35 175.48 2ka9 s TYR 87 N -1.68 3.17 0.37 3.48 6.14 0.32 -0.19 117.35 128.96 2ka9 s TYR 87 Ca 0.23 -0.74 0.07 0.00 0.64 0.00 0.00 57.07 57.28 2ka9 s TYR 87 Cb -0.08 -2.33 -0.07 0.00 0.42 0.00 0.00 41.96 39.90 2ka9 s TYR 87 CO 0.13 -0.51 -0.02 0.14 0.64 0.00 0.00 175.55 175.92 2ka9 s VAL 88 N 1.57 1.96 -0.26 3.14 -7.23 -0.69 0.98 120.40 119.86 2ka9 s VAL 88 Ca 0.04 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 2ka9 s VAL 88 Cb -0.17 -2.82 0.06 0.00 0.56 0.00 0.00 36.38 34.01 2ka9 s VAL 88 CO 0.05 -0.09 -0.09 -0.32 -0.31 0.00 0.00 175.10 174.34 2ka9 s MET 89 N -3.70 2.10 0.02 4.82 1.75 0.20 -2.33 119.30 122.14 2ka9 s MET 89 Ca 0.34 -1.30 0.03 0.00 -1.25 0.00 0.00 55.69 53.51 2ka9 s MET 89 Cb 0.07 -2.84 -0.01 0.00 2.84 0.00 0.00 34.83 34.88 2ka9 s MET 89 CO 0.17 -0.59 -0.11 0.50 -0.65 0.00 0.00 175.02 174.34 2ka9 s ARG 90 N 1.15 0.78 0.15 4.11 3.00 -0.29 -0.57 118.95 127.28 2ka9 s ARG 90 Ca -0.08 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.73 53.82 2ka9 s ARG 90 Cb -0.20 -0.73 -0.07 0.00 0.00 0.00 0.00 34.95 33.95 2ka9 s ARG 90 CO -0.05 0.19 1.02 0.50 0.00 0.00 0.00 175.30 176.96 2ka9 s ARG 91 N -0.73 4.66 -0.66 5.12 3.52 -1.26 0.14 118.95 129.74 2ka9 s ARG 91 Ca 0.01 1.57 0.03 0.00 -0.13 0.00 0.00 55.73 57.22 2ka9 s ARG 91 Cb -0.06 -3.33 0.16 0.00 -1.56 0.00 0.00 34.95 30.17 2ka9 s ARG 91 CO 0.00 0.17 0.44 -1.59 -0.81 0.00 0.00 175.30 173.52 2ka9 s LYS 92 N -0.23 2.40 0.00 5.12 -2.85 -1.26 -4.82 119.74 118.10 2ka9 s LYS 92 Ca 0.48 -3.05 -0.30 0.00 -1.00 0.00 0.00 55.97 52.10 2ka9 s LYS 92 Cb -0.26 -3.47 -0.08 0.00 -2.06 0.00 0.00 37.83 31.96 2ka9 s LYS 92 CO 0.32 -1.22 1.90 -2.14 0.10 0.00 0.00 175.35 174.32 2ka9 s PRO 93 N -0.97 4.11 -0.94 1.78 0.02 -1.26 -4.93 135.00 132.81 2ka9 s PRO 93 Ca 0.22 2.49 -0.22 0.00 0.02 0.00 0.00 61.00 63.50 2ka9 s PRO 93 Cb -0.13 -4.13 0.07 0.00 0.02 0.00 0.00 34.50 30.33 2ka9 s PRO 93 CO -0.10 -0.98 1.32 -1.25 -0.33 0.00 0.00 177.00 175.67 2ka9 s PRO 94 N 4.44 3.52 -0.35 5.54 0.04 -1.26 -4.44 135.00 142.49 2ka9 s PRO 94 Ca 0.85 -1.16 -0.02 0.00 0.04 0.00 0.00 61.00 60.71 2ka9 s PRO 94 Cb -0.40 -5.05 0.12 0.00 0.04 0.00 0.00 34.50 29.21 2ka9 s PRO 94 CO 0.39 -2.07 2.43 0.00 0.04 0.00 0.00 177.00 177.79 2ka9 n ALA 95 N 8.31 5.73 -2.41 8.56 0.00 -1.26 -4.70 120.51 134.74 2ka9 n ALA 95 Ca 0.25 -2.20 -0.42 0.00 0.00 0.00 0.00 53.44 51.07 2ka9 n ALA 95 Cb 0.50 -1.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.55 4.34 0.27 0.00 2.12 -1.26 -3.65 118.70 118.97 2ka9 s GLU 96 Ca 0.44 1.74 -0.05 0.00 0.36 0.00 0.00 54.97 57.47 2ka9 s GLU 96 Cb 0.30 -3.54 0.02 0.00 0.26 0.00 0.00 34.13 31.17 2ka9 s GLU 96 CO -0.09 -0.46 0.43 1.63 -0.54 0.00 0.00 175.26 176.23 2ka9 n LYS 97 N 5.11 0.62 -4.16 4.30 5.02 -1.26 -4.95 118.16 122.84 2ka9 n LYS 97 Ca 0.11 -1.91 -0.27 0.00 -2.02 0.00 0.00 58.31 54.22 2ka9 n LYS 97 Cb 0.46 2.00 -0.07 0.00 -0.02 0.00 0.00 35.03 37.39 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 -2.59 3.96 0.27 -0.18 1.01 -1.26 -0.94 120.40 120.68 2ka9 s VAL 98 Ca 0.18 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.92 2ka9 s VAL 98 Cb -0.02 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 2ka9 s VAL 98 CO 0.13 -0.09 0.00 -0.04 0.00 0.00 0.00 175.10 175.10 2ka9 s MET 99 N -2.93 1.49 -0.26 2.72 -1.94 0.15 -4.95 119.30 113.58 2ka9 s MET 99 Ca 0.28 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 2ka9 s MET 99 Cb -0.10 -0.83 0.07 0.00 2.01 0.00 0.00 34.83 35.99 2ka9 s MET 99 CO 0.20 -0.09 0.01 -1.21 -0.01 0.00 0.00 175.02 173.92 2ka9 s GLU 100 N -3.84 1.24 0.20 2.03 2.02 -1.26 -1.64 118.70 117.45 2ka9 s GLU 100 Ca 0.31 -1.03 0.11 0.00 0.02 0.00 0.00 54.97 54.38 2ka9 s GLU 100 Cb 0.06 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.80 2ka9 s GLU 100 CO 0.12 -0.74 -0.18 0.42 0.02 0.00 0.00 175.26 174.90 2ka9 s ILE 101 N 1.46 2.66 -0.17 -1.63 -1.09 0.17 -4.97 121.20 117.64 2ka9 s ILE 101 Ca 0.01 -1.97 -0.02 0.00 -2.23 0.00 0.00 60.65 56.43 2ka9 s ILE 101 Cb -0.18 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.37 2ka9 s ILE 101 CO -0.11 -0.16 -0.08 -1.59 -1.23 0.00 0.00 174.94 171.77 2ka9 s LYS 102 N -2.87 3.47 -0.12 2.79 -2.85 -1.26 0.12 119.74 119.01 2ka9 s LYS 102 Ca 0.24 -0.62 -0.01 0.00 -1.00 0.00 0.00 55.97 54.58 2ka9 s LYS 102 Cb -0.08 -2.83 0.03 0.00 -2.06 0.00 0.00 37.83 32.89 2ka9 s LYS 102 CO 0.12 0.10 -0.06 -1.17 0.10 0.00 0.00 175.35 174.44 2ka9 s LEU 103 N 0.70 1.24 0.04 2.77 0.20 0.67 -3.16 118.68 121.14 2ka9 s LEU 103 Ca -0.04 -0.38 -0.08 0.00 0.69 0.00 0.00 54.13 54.32 2ka9 s LEU 103 Cb -0.15 -0.83 -0.05 0.00 -0.43 0.00 0.00 46.19 44.73 2ka9 s LEU 103 CO 0.02 -0.14 0.33 0.27 -0.29 0.00 0.00 176.35 176.54 2ka9 s ILE 104 N 1.71 5.21 0.56 6.68 -4.36 -1.26 -2.07 121.20 127.68 2ka9 s ILE 104 Ca 0.04 0.30 -0.14 0.00 -0.26 0.00 0.00 60.65 60.59 2ka9 s ILE 104 Cb -0.13 -3.60 -0.06 0.00 1.25 0.00 0.00 42.46 39.91 2ka9 s ILE 104 CO -0.08 0.34 1.01 -0.75 0.24 0.00 0.00 174.94 175.69 2ka9 s LYS 105 N -1.81 3.79 0.16 0.37 2.20 0.23 -4.48 119.74 120.20 2ka9 s LYS 105 Ca 0.30 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.79 2ka9 s LYS 105 Cb -0.14 -2.11 -0.01 0.00 -1.51 0.00 0.00 37.83 34.07 2ka9 s LYS 105 CO 0.17 -0.40 0.08 0.41 -0.36 0.00 0.00 175.35 175.24 2ka9 n GLY 106 N -2.10 3.69 0.27 5.54 0.00 0.32 -4.90 105.19 108.01 2ka9 n GLY 106 Ca 0.06 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 0.92 -0.77 1.61 0.13 -1.99 -2.77 132.00 129.13 2ka9 h PRO 107 Ca -0.12 -0.49 -0.11 0.00 -0.87 0.00 0.00 66.00 64.41 2ka9 h PRO 107 Cb 0.51 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.59 2ka9 h PRO 107 CO 0.19 1.14 0.14 1.17 -0.23 0.00 0.00 178.00 180.41 2ka9 n LYS 108 N -4.06 3.44 0.00 0.86 4.81 -1.26 -5.02 118.16 116.93 2ka9 n LYS 108 Ca -0.02 -2.38 0.00 0.00 -0.87 0.00 0.00 58.31 55.04 2ka9 n LYS 108 Cb 0.54 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.56 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 0.14 -0.85 0.07 3.14 0.00 -1.05 -4.57 105.19 102.08 2ka9 n GLY 109 Ca 0.28 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 44.28 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ka9 n LEU 110 N 0.00 0.60 -0.76 0.99 4.32 -1.26 0.12 117.00 121.01 2ka9 n LEU 110 Ca 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 56.01 56.51 2ka9 n LEU 110 Cb 0.00 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 2ka9 n LEU 110 CO 0.00 -0.12 0.00 0.61 -1.22 0.00 0.00 177.39 176.66 2ka9 n GLY 111 N 1.36 0.54 3.64 -0.72 0.00 -1.26 -2.87 105.19 105.88 2ka9 n GLY 111 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.44 -0.07 -0.23 1.61 -0.71 -1.26 -4.08 117.98 110.80 2ka9 s PHE 112 Ca 0.00 0.12 -0.02 0.00 -1.04 0.00 0.00 56.93 55.99 2ka9 s PHE 112 Cb 0.00 0.49 0.02 0.00 -1.21 0.00 0.00 43.02 42.32 2ka9 s PHE 112 CO 0.00 -0.06 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.62 2ka9 s SER 113 N -0.99 4.13 0.11 1.98 0.01 0.22 -4.98 113.70 114.18 2ka9 s SER 113 Ca 0.08 -0.74 0.07 0.00 1.31 0.00 0.00 55.95 56.67 2ka9 s SER 113 Cb -0.01 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 2ka9 s SER 113 CO -0.07 -0.09 -0.17 0.27 0.41 0.00 0.00 173.24 173.59 2ka9 s ILE 114 N 1.35 1.50 -0.08 1.44 -4.36 -1.26 0.13 121.20 119.92 2ka9 s ILE 114 Ca 0.02 -1.61 -0.03 0.00 -0.26 0.00 0.00 60.65 58.77 2ka9 s ILE 114 Cb -0.16 -1.50 0.04 0.00 1.25 0.00 0.00 42.46 42.10 2ka9 s ILE 114 CO -0.06 -0.24 0.15 0.00 0.24 0.00 0.00 174.94 175.04 2ka9 s ALA 115 N -1.61 -0.22 0.19 2.27 0.00 -0.09 -4.94 121.76 117.38 2ka9 s ALA 115 Ca 0.07 0.62 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 2ka9 s ALA 115 Cb -0.08 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.42 2ka9 s ALA 115 CO 0.04 -0.36 0.34 0.41 0.00 0.00 0.00 175.76 176.18 2ka9 n GLY 116 N 4.77 2.00 0.00 0.00 0.00 -1.26 -1.54 105.19 109.15 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 1.56 3.69 -0.02 0.00 -0.91 -3.98 105.19 105.25 2ka9 n GLY 117 Ca -0.02 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 2ka9 n GLY 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ka9 n VAL 118 N 2.30 3.31 0.00 1.61 0.31 -1.26 -2.26 118.33 122.34 2ka9 n VAL 118 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2ka9 n VAL 118 Cb 0.00 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2ka9 n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ka9 n GLY 119 N 0.80 2.88 0.00 2.92 0.00 -1.26 -2.57 105.19 107.96 2ka9 n GLY 119 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.38 0.00 -5.01 1.61 2.85 -1.18 -5.01 115.26 108.90 2ka9 n ASN 120 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 2ka9 n ASN 120 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ka9 s GLN 121 N 0.00 2.71 0.18 1.20 0.00 -0.96 -4.64 119.66 118.15 2ka9 s GLN 121 Ca 0.00 -1.29 -0.16 0.00 -0.00 0.00 0.00 55.36 53.91 2ka9 s GLN 121 Cb 0.00 -2.72 0.14 0.00 0.00 0.00 0.00 33.01 30.43 2ka9 s GLN 121 CO 0.00 -0.41 1.64 1.25 0.00 0.00 0.00 175.29 177.77 2ka9 h HIS 122 N 0.51 -0.34 -3.31 9.60 -0.00 -1.55 -3.39 115.15 116.67 2ka9 h HIS 122 Ca -0.38 0.05 -0.59 0.00 -0.00 0.00 0.00 60.37 59.44 2ka9 h HIS 122 Cb 1.28 0.23 -0.10 0.00 -0.00 0.00 0.00 27.41 28.81 2ka9 h HIS 122 CO 0.40 -0.24 -0.34 0.42 -0.00 0.00 0.00 177.93 178.17 2ka9 s ILE 123 N -6.20 5.31 -1.17 6.26 1.01 -1.26 -5.01 121.20 120.15 2ka9 s ILE 123 Ca -0.14 0.51 -0.21 0.00 0.00 0.00 0.00 60.65 60.80 2ka9 s ILE 123 Cb 0.16 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 2ka9 s ILE 123 CO 0.72 0.38 1.90 -0.81 0.00 0.00 0.00 174.94 177.13 2ka9 n PRO 124 N 3.65 1.94 0.00 2.79 -0.04 -1.26 -3.03 135.00 139.05 2ka9 n PRO 124 Ca -0.12 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 2ka9 n PRO 124 Cb 0.52 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 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 5.50 0.90 3.12 0.55 0.00 -1.26 -5.12 105.19 108.88 2ka9 n GLY 125 Ca 0.46 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.45 -1.25 0.60 1.61 1.01 -1.17 -5.00 116.67 111.02 2ka9 s ASP 126 Ca 0.00 -0.22 0.29 0.00 0.71 0.00 0.00 52.55 53.33 2ka9 s ASP 126 Cb 0.00 1.68 1.47 0.00 1.01 0.00 0.00 42.92 47.09 2ka9 s ASP 126 CO 0.00 -0.19 1.88 -0.55 0.21 0.00 0.00 175.17 176.53 2ka9 h ASN 127 N 7.20 0.00 -1.76 0.27 7.08 -1.88 -3.42 115.58 123.07 2ka9 h ASN 127 Ca -0.00 0.00 -0.63 0.00 -3.08 0.00 0.00 56.30 52.58 2ka9 h ASN 127 Cb 1.19 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.44 2ka9 h ASN 127 CO 0.07 0.00 1.24 -1.20 -2.08 0.00 0.00 177.43 175.45 2ka9 n SER 128 N -3.60 3.03 -4.66 6.14 7.64 -1.26 -2.14 113.62 118.77 2ka9 n SER 128 Ca 0.07 0.71 -0.42 0.00 1.01 0.00 0.00 58.87 60.24 2ka9 n SER 128 Cb 0.65 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.46 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 5.57 3.10 0.21 0.44 1.01 -1.24 -4.80 121.20 125.50 2ka9 s ILE 129 Ca 0.99 0.18 0.08 0.00 0.00 0.00 0.00 60.65 61.90 2ka9 s ILE 129 Cb -0.70 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2ka9 s ILE 129 CO 0.49 -0.01 -0.01 -0.31 0.00 0.00 0.00 174.94 175.10 2ka9 s TYR 130 N 4.19 2.77 0.34 3.97 1.51 -1.01 -0.85 117.35 128.27 2ka9 s TYR 130 Ca 0.84 -0.18 -0.10 0.00 -1.01 0.00 0.00 57.07 56.62 2ka9 s TYR 130 Cb -0.41 -1.29 -0.07 0.00 -0.11 0.00 0.00 41.96 40.08 2ka9 s TYR 130 CO 0.38 0.56 0.69 0.08 -1.11 0.00 0.00 175.55 176.15 2ka9 s VAL 131 N -1.98 4.83 0.02 0.71 1.01 0.18 -0.91 120.40 124.27 2ka9 s VAL 131 Ca 0.29 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 2ka9 s VAL 131 Cb -0.08 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2ka9 s VAL 131 CO 0.19 -0.37 -0.08 0.35 0.00 0.00 0.00 175.10 175.19 2ka9 n THR 132 N -0.92 1.11 -3.63 3.92 -2.24 0.34 -3.58 114.28 109.29 2ka9 n THR 132 Ca 0.01 0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.90 2ka9 n THR 132 Cb 0.54 -1.73 -0.07 0.00 -2.10 0.00 0.00 70.33 66.97 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 -2.19 0.85 0.00 -0.78 0.00 -1.14 -4.67 119.74 111.81 2ka9 s LYS 133 Ca -0.07 0.24 0.06 0.00 0.00 0.00 0.00 55.97 56.21 2ka9 s LYS 133 Cb 0.01 0.40 -0.02 0.00 0.00 0.00 0.00 37.83 38.22 2ka9 s LYS 133 CO 0.10 -0.23 -0.19 0.42 0.00 0.00 0.00 175.35 175.45 2ka9 s ILE 134 N -0.89 1.53 1.00 3.79 1.01 -1.26 0.70 121.20 127.08 2ka9 s ILE 134 Ca -0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 2ka9 s ILE 134 Cb -0.03 -1.30 0.19 0.00 0.01 0.00 0.00 42.46 41.34 2ka9 s ILE 134 CO 0.06 0.35 1.16 -0.63 0.00 0.00 0.00 174.94 175.88 2ka9 s ILE 135 N -0.56 1.90 0.19 2.92 1.01 -1.26 -5.00 121.20 120.40 2ka9 s ILE 135 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 2ka9 s ILE 135 Cb -0.08 -2.71 -0.07 0.00 0.01 0.00 0.00 42.46 39.61 2ka9 s ILE 135 CO 0.00 0.00 0.56 -1.61 0.00 0.00 0.00 174.94 173.89 2ka9 s GLU 136 N -5.40 3.91 -1.71 2.79 2.02 -1.26 -4.04 118.70 115.01 2ka9 s GLU 136 Ca 0.68 0.41 0.00 0.00 0.02 0.00 0.00 54.97 56.07 2ka9 s GLU 136 Cb -0.12 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.32 2ka9 s GLU 136 CO 0.54 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.63 2ka9 n GLY 137 N 0.37 0.43 3.93 -1.39 0.00 -1.26 -4.96 105.19 102.31 2ka9 n GLY 137 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 2ka9 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ka9 s GLY 138 N -2.25 1.71 -0.02 -0.02 0.00 -1.26 -4.96 107.32 100.53 2ka9 s GLY 138 Ca 0.00 -1.07 -0.26 0.00 0.00 0.00 0.00 44.72 43.40 2ka9 s GLY 138 CO 0.00 -0.46 1.29 0.00 0.00 0.00 0.00 173.10 173.92 2ka9 h ALA 139 N -1.16 -0.01 -0.06 3.20 0.00 -1.83 -3.06 119.26 116.33 2ka9 h ALA 139 Ca -0.44 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 2ka9 h ALA 139 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2ka9 h ALA 139 CO 0.50 -0.28 -0.50 0.00 0.00 0.00 0.00 179.25 178.97 2ka9 h ALA 140 N 0.51 1.05 0.11 0.00 0.00 -1.72 -1.11 119.26 118.10 2ka9 h ALA 140 Ca -0.00 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2ka9 h ALA 140 Cb 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2ka9 h ALA 140 CO 0.00 0.65 -0.28 1.25 0.00 0.00 0.00 179.25 180.87 2ka9 h HIS 141 N 0.13 -0.76 0.07 0.00 6.17 -1.75 1.66 115.15 120.67 2ka9 h HIS 141 Ca 0.00 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.10 2ka9 h HIS 141 Cb 0.93 0.32 0.00 0.00 2.52 0.00 0.00 27.41 31.18 2ka9 h HIS 141 CO 0.01 -0.39 -0.03 -0.22 0.71 0.00 0.00 177.93 178.01 2ka9 h LYS 142 N -0.49 -0.09 0.00 5.26 1.63 -1.53 -3.00 116.57 118.35 2ka9 h LYS 142 Ca 0.03 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2ka9 h LYS 142 Cb 0.52 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2ka9 h LYS 142 CO -0.17 0.46 -0.03 -0.44 -3.45 0.00 0.00 179.45 175.81 2ka9 h ASP 143 N -0.74 0.00 -0.30 4.20 3.32 -1.19 -3.38 116.42 118.34 2ka9 h ASP 143 Ca -0.01 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.05 2ka9 h ASP 143 Cb 0.59 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.07 2ka9 h ASP 143 CO 0.02 0.55 -0.19 1.23 -1.72 0.00 0.00 179.24 179.12 2ka9 h GLY 144 N -1.00 -0.01 -0.94 2.75 0.00 0.21 -3.43 103.07 100.65 2ka9 h GLY 144 Ca -0.00 0.24 -0.40 0.00 0.00 0.00 0.00 47.33 47.17 2ka9 h GLY 144 CO -0.00 -0.19 -0.37 0.54 0.00 0.00 0.00 176.54 176.53 2ka9 n ARG 145 N -5.36 -1.41 -3.23 4.80 5.12 0.22 -4.87 116.66 111.95 2ka9 n ARG 145 Ca 0.00 1.19 -0.45 0.00 -1.93 0.00 0.00 57.85 56.67 2ka9 n ARG 145 Cb 0.27 -5.55 0.00 0.00 -1.16 0.00 0.00 32.46 26.02 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 -2.24 5.64 -4.38 0.55 -0.00 -1.26 -5.04 117.00 110.27 2ka9 n LEU 146 Ca -0.20 -4.99 -0.29 0.00 -0.00 0.00 0.00 56.01 50.53 2ka9 n LEU 146 Cb 0.66 -1.47 0.28 0.00 -0.00 0.00 0.00 43.42 42.88 2ka9 n LEU 146 CO 0.30 1.32 0.45 0.00 -0.00 0.00 0.00 177.39 179.47 2ka9 s GLN 147 N -1.13 -2.07 0.13 1.47 -2.07 -1.26 -4.66 119.66 110.07 2ka9 s GLN 147 Ca 0.33 0.48 -0.35 0.00 -1.82 0.00 0.00 55.36 53.99 2ka9 s GLN 147 Cb -0.07 -1.45 -0.16 0.00 -1.09 0.00 0.00 33.01 30.24 2ka9 s GLN 147 CO -0.04 -4.39 1.24 -0.89 -1.32 0.00 0.00 175.29 169.88 2ka9 n ILE 148 N -5.34 0.47 0.00 3.63 5.41 -1.26 -1.96 119.36 120.30 2ka9 n ILE 148 Ca 0.07 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2ka9 n ILE 148 Cb 0.57 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 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 2.24 1.58 3.76 7.39 0.00 -1.23 -5.04 105.19 113.88 2ka9 n GLY 149 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.49 5.50 -0.02 1.61 1.01 -0.83 -4.60 116.67 118.85 2ka9 s ASP 150 Ca 0.00 2.79 0.02 0.00 0.71 0.00 0.00 52.55 56.07 2ka9 s ASP 150 Cb 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.29 2ka9 s ASP 150 CO 0.00 -1.42 -0.09 -1.59 0.21 0.00 0.00 175.17 172.28 2ka9 s LYS 151 N -2.76 0.88 -0.15 8.23 0.00 -1.26 0.51 119.74 125.19 2ka9 s LYS 151 Ca 0.68 -0.30 -0.05 0.00 0.00 0.00 0.00 55.97 56.30 2ka9 s LYS 151 Cb -0.41 -0.83 -0.04 0.00 0.00 0.00 0.00 37.83 36.56 2ka9 s LYS 151 CO 0.50 0.13 0.03 0.96 0.00 0.00 0.00 175.35 176.96 2ka9 s ILE 152 N 0.10 4.48 -2.48 3.79 -5.25 -0.03 0.18 121.20 121.99 2ka9 s ILE 152 Ca -0.01 -0.16 0.22 0.00 -0.99 0.00 0.00 60.65 59.71 2ka9 s ILE 152 Cb -0.07 -2.97 0.11 0.00 2.95 0.00 0.00 42.46 42.48 2ka9 s ILE 152 CO 0.00 0.51 1.14 0.00 -1.79 0.00 0.00 174.94 174.80 2ka9 n LEU 153 N 3.18 2.54 0.00 0.37 -0.00 0.05 -3.61 117.00 119.53 2ka9 n LEU 153 Ca -0.17 -0.92 0.00 0.00 -0.00 0.00 0.00 56.01 54.92 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 0.80 0.00 -3.94 1.47 0.00 -1.23 -4.70 120.51 112.92 2ka9 n ALA 154 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2ka9 n ALA 154 Cb 0.52 0.00 -0.14 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 2.62 0.00 0.00 1.01 -0.90 0.20 120.40 121.33 2ka9 s VAL 155 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 59.72 2ka9 s VAL 155 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2ka9 s VAL 155 CO 0.00 -0.63 0.00 0.59 0.00 0.00 0.00 175.10 175.06 2ka9 n ASN 156 N 4.36 0.00 -0.73 3.32 3.02 0.27 -1.31 115.26 124.20 2ka9 n ASN 156 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 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 -1.54 -2.62 0.00 0.00 177.26 173.10 2ka9 n SER 157 N 1.82 -0.53 -4.71 6.41 3.41 -1.26 -4.96 113.62 113.81 2ka9 n SER 157 Ca 0.00 -1.30 -0.26 0.00 -0.26 0.00 0.00 58.87 57.04 2ka9 n SER 157 Cb 0.00 0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2ka9 s VAL 158 N 0.00 3.96 -0.79 -3.33 1.01 -0.42 -5.07 120.40 115.76 2ka9 s VAL 158 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.69 2ka9 s VAL 158 Cb 0.00 -3.00 0.22 0.00 0.00 0.00 0.00 36.38 33.60 2ka9 s VAL 158 CO 0.00 -0.11 0.73 0.61 0.00 0.00 0.00 175.10 176.33 2ka9 n GLY 159 N -0.19 4.34 0.72 4.51 0.00 -1.26 -2.12 105.19 111.19 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 1.75 1.86 -3.07 0.99 -0.00 -1.26 -3.88 117.00 113.38 2ka9 n LEU 160 Ca 0.23 -0.93 -0.16 0.00 -0.00 0.00 0.00 56.01 55.15 2ka9 n LEU 160 Cb 0.37 -0.50 -0.01 0.00 -0.00 0.00 0.00 43.42 43.27 2ka9 n LEU 160 CO 0.37 0.36 -0.19 -1.84 -0.00 0.00 0.00 177.39 176.09 2ka9 n GLU 161 N 0.20 1.01 -0.95 1.47 0.28 -1.26 -4.10 120.64 117.28 2ka9 n GLU 161 Ca 0.01 -3.30 -0.06 0.00 -0.16 0.00 0.00 57.16 53.64 2ka9 n GLU 161 Cb 0.36 -1.59 -0.06 0.00 1.43 0.00 0.00 31.44 31.58 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 0.21 -0.90 0.00 -1.84 2.03 -1.25 -4.83 116.55 109.97 2ka9 n ASP 162 Ca 0.21 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.62 2ka9 n ASP 162 Cb 0.69 0.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2ka9 n VAL 163 N 0.00 0.00 -3.73 5.18 0.31 -1.26 -5.06 118.33 113.77 2ka9 n VAL 163 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2ka9 n VAL 163 Cb 0.68 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 -1.77 0.01 0.08 5.55 2.81 -1.26 -4.48 117.12 118.05 2ka9 n MET 164 Ca 0.00 -0.03 -0.04 0.00 -1.81 0.00 0.00 57.70 55.82 2ka9 n MET 164 Cb 0.00 0.04 0.15 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 1.03 0.32 -0.04 2.03 2.76 -1.61 -1.37 115.15 118.26 2ka9 h HIS 165 Ca -0.01 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 57.98 2ka9 h HIS 165 Cb 0.04 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.94 2ka9 h HIS 165 CO 0.00 0.74 -0.27 0.93 -1.30 0.00 0.00 177.93 178.03 2ka9 h GLU 166 N 0.20 0.26 -0.14 5.26 4.39 -1.89 -0.81 114.58 121.86 2ka9 h GLU 166 Ca 0.00 -0.22 -0.16 0.00 0.34 0.00 0.00 59.36 59.32 2ka9 h GLU 166 Cb 1.00 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2ka9 h GLU 166 CO 0.08 0.88 -0.59 -0.44 -1.16 0.00 0.00 179.01 177.78 2ka9 h ASP 167 N -0.29 0.51 -0.27 1.42 5.19 -1.94 0.39 116.42 121.43 2ka9 h ASP 167 Ca -0.02 -0.28 -0.16 0.00 -0.62 0.00 0.00 57.03 55.94 2ka9 h ASP 167 Cb 0.94 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 2ka9 h ASP 167 CO 0.06 0.98 -0.45 0.00 -3.12 0.00 0.00 179.24 176.71 2ka9 h ALA 168 N 1.02 0.60 -0.14 3.45 0.00 -1.33 0.13 119.26 122.99 2ka9 h ALA 168 Ca -0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 2ka9 h ALA 168 Cb 1.13 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ka9 h ALA 168 CO 0.10 0.68 -0.80 0.28 0.00 0.00 0.00 179.25 179.51 2ka9 h VAL 169 N 0.67 1.27 -0.07 0.00 2.07 -1.01 -0.86 116.25 118.32 2ka9 h VAL 169 Ca 0.04 -1.99 -0.09 0.00 0.82 0.00 0.00 66.70 65.48 2ka9 h VAL 169 Cb 1.03 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2ka9 h VAL 169 CO 0.10 0.63 -0.38 0.00 0.02 0.00 0.00 177.57 177.95 2ka9 h ALA 170 N 0.54 1.23 0.00 1.67 0.00 -0.15 0.02 119.26 122.58 2ka9 h ALA 170 Ca -0.06 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2ka9 h ALA 170 Cb 1.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2ka9 h ALA 170 CO 0.17 0.53 -0.52 0.00 0.00 0.00 0.00 179.25 179.43 2ka9 h ALA 171 N 1.49 0.72 0.23 0.00 0.00 -0.65 -0.87 119.26 120.17 2ka9 h ALA 171 Ca 0.01 -0.47 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 2ka9 h ALA 171 Cb 0.73 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.47 2ka9 h ALA 171 CO 0.06 0.65 -1.44 1.37 0.00 0.00 0.00 179.25 179.88 2ka9 h LEU 172 N 0.00 0.76 -0.57 0.00 8.10 -0.68 -3.29 115.31 119.63 2ka9 h LEU 172 Ca -0.01 -0.93 -0.10 0.00 0.11 0.00 0.00 57.88 56.96 2ka9 h LEU 172 Cb 1.31 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 41.27 2ka9 h LEU 172 CO 0.07 1.69 -0.49 0.07 -4.11 0.00 0.00 178.44 175.66 2ka9 h LYS 173 N 0.06 0.00 0.00 0.17 5.09 -1.05 -2.99 116.57 117.84 2ka9 h LYS 173 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.48 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 0.24 0.49 0.00 0.09 -2.09 0.00 0.00 179.45 178.18 2ka9 n ASN 174 N -3.45 0.30 -4.41 7.07 5.03 -0.33 -4.81 115.26 114.65 2ka9 n ASN 174 Ca 0.00 0.61 -0.40 0.00 0.87 0.00 0.00 54.58 55.66 2ka9 n ASN 174 Cb 0.62 -0.66 0.01 0.00 -1.02 0.00 0.00 39.78 38.74 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 -1.87 1.54 -2.25 3.41 -2.24 -1.13 -4.97 114.28 106.76 2ka9 n THR 175 Ca 0.01 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.03 2ka9 n THR 175 Cb 0.08 -0.45 0.06 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.63 2.94 0.53 4.78 5.04 -1.26 -4.94 117.35 122.81 2ka9 s TYR 176 Ca 0.63 0.42 0.37 0.00 -2.44 0.00 0.00 57.07 56.05 2ka9 s TYR 176 Cb -0.55 -3.12 1.54 0.00 0.35 0.00 0.00 41.96 40.18 2ka9 s TYR 176 CO 0.59 -1.32 1.76 0.22 -1.34 0.00 0.00 175.55 175.46 2ka9 h ASP 177 N -0.51 0.05 -1.97 4.32 3.58 -1.91 -3.29 116.42 116.69 2ka9 h ASP 177 Ca -0.44 0.01 -0.36 0.00 0.42 0.00 0.00 57.03 56.66 2ka9 h ASP 177 Cb 1.31 0.01 -0.31 0.00 1.72 0.00 0.00 39.33 42.05 2ka9 h ASP 177 CO 0.60 -0.00 -0.68 -0.69 -2.88 0.00 0.00 179.24 175.58 2ka9 s VAL 178 N -5.00 -0.33 0.09 2.25 1.01 -1.26 0.77 120.40 117.93 2ka9 s VAL 178 Ca -0.05 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.07 2ka9 s VAL 178 Cb 0.24 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 2ka9 s VAL 178 CO 0.82 -0.58 -0.22 0.68 0.00 0.00 0.00 175.10 175.80 2ka9 s VAL 179 N 1.53 1.82 -0.20 2.92 -7.23 -0.88 -4.96 120.40 113.40 2ka9 s VAL 179 Ca 0.16 -1.49 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 2ka9 s VAL 179 Cb -0.15 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 2ka9 s VAL 179 CO -0.07 0.06 0.21 -0.31 -0.31 0.00 0.00 175.10 174.68 2ka9 s TYR 180 N -1.03 3.40 0.15 2.82 1.51 -1.26 -0.24 117.35 122.70 2ka9 s TYR 180 Ca 0.08 0.41 0.08 0.00 -1.01 0.00 0.00 57.07 56.63 2ka9 s TYR 180 Cb -0.10 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.44 2ka9 s TYR 180 CO 0.04 0.19 -0.06 -0.48 -1.11 0.00 0.00 175.55 174.12 2ka9 s LEU 181 N 0.66 3.12 -0.29 -1.29 2.34 0.33 0.96 118.68 124.51 2ka9 s LEU 181 Ca 0.11 -0.44 -0.15 0.00 0.06 0.00 0.00 54.13 53.72 2ka9 s LEU 181 Cb -0.13 -1.84 -0.03 0.00 -0.56 0.00 0.00 46.19 43.63 2ka9 s LEU 181 CO 0.02 0.13 0.35 -0.54 -1.06 0.00 0.00 176.35 175.25 2ka9 s LYS 182 N -2.62 3.89 0.27 1.48 1.02 0.13 -0.66 119.74 123.25 2ka9 s LYS 182 Ca 0.24 -0.12 0.06 0.00 0.02 0.00 0.00 55.97 56.17 2ka9 s LYS 182 Cb -0.10 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2ka9 s LYS 182 CO 0.16 -0.34 0.32 0.08 -0.92 0.00 0.00 175.35 174.65 2ka9 s VAL 183 N 2.03 4.68 -0.04 3.17 1.01 -0.65 -0.77 120.40 129.83 2ka9 s VAL 183 Ca 0.13 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2ka9 s VAL 183 Cb -0.16 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2ka9 s VAL 183 CO 0.11 -0.30 -0.17 0.00 0.00 0.00 0.00 175.10 174.74 2ka9 s ALA 184 N -2.09 1.53 0.12 5.51 0.00 0.13 0.35 121.76 127.31 2ka9 s ALA 184 Ca 0.36 -0.71 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 2ka9 s ALA 184 Cb -0.08 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 2ka9 s ALA 184 CO 0.28 0.30 0.79 0.15 0.00 0.00 0.00 175.76 177.28 2ka9 s LYS 185 N -0.06 4.56 0.00 0.00 1.02 -0.11 -4.06 119.74 121.10 2ka9 s LYS 185 Ca -0.02 1.16 -0.04 0.00 0.02 0.00 0.00 55.97 57.09 2ka9 s LYS 185 Cb -0.11 -3.31 -0.18 0.00 -0.52 0.00 0.00 37.83 33.71 2ka9 s LYS 185 CO 0.02 0.43 2.68 -2.30 -0.92 0.00 0.00 175.35 175.26 2ka9 n PRO 186 N 2.15 1.41 -2.57 -1.68 -0.02 -1.26 -4.31 135.00 128.71 2ka9 n PRO 186 Ca -0.04 -0.66 -0.02 0.00 -2.02 0.00 0.00 63.50 60.76 2ka9 n PRO 186 Cb 0.49 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ka9 n SER 187 N 2.52 -4.11 -2.13 2.55 2.88 -1.26 -3.80 113.62 110.27 2ka9 n SER 187 Ca 0.29 1.36 -0.17 0.00 -1.33 0.00 0.00 58.87 59.01 2ka9 n SER 187 Cb 0.65 -3.99 -0.03 0.00 -0.75 0.00 0.00 64.21 60.09 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 1.97 -4.82 -0.05 -3.46 4.05 -1.24 -4.67 115.26 107.04 2ka9 n ASN 188 Ca -0.18 0.19 0.01 0.00 0.45 0.00 0.00 54.58 55.04 2ka9 n ASN 188 Cb 0.28 -4.14 0.01 0.00 1.23 0.00 0.00 39.78 37.16 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21