#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 3.47 -0.13 0.03 2.02 -0.74 -4.91 118.70 118.44 2ka9 s GLU 2 Ca 0.00 -0.52 -0.20 0.00 0.02 0.00 0.00 54.97 54.27 2ka9 s GLU 2 Cb 0.00 -2.87 0.05 0.00 0.10 0.00 0.00 34.13 31.41 2ka9 s GLU 2 CO 0.00 0.42 0.52 0.71 0.02 0.00 0.00 175.26 176.93 2ka9 s TYR 3 N -1.90 -0.52 -0.29 1.61 1.51 -1.26 -1.98 117.35 114.52 2ka9 s TYR 3 Ca 0.36 1.13 -0.38 0.00 -1.01 0.00 0.00 57.07 57.18 2ka9 s TYR 3 Cb -0.10 0.22 0.16 0.00 -0.11 0.00 0.00 41.96 42.13 2ka9 s TYR 3 CO 0.30 -0.37 1.38 -1.83 -1.11 0.00 0.00 175.55 173.91 2ka9 s GLU 4 N -0.36 0.04 0.18 -0.62 1.03 -0.91 -5.03 118.70 113.03 2ka9 s GLU 4 Ca -0.05 -0.01 0.04 0.00 0.03 0.00 0.00 54.97 54.97 2ka9 s GLU 4 Cb -0.03 0.02 -0.03 0.00 -0.80 0.00 0.00 34.13 33.28 2ka9 s GLU 4 CO 0.03 -0.02 0.28 -1.83 -1.33 0.00 0.00 175.26 172.40 2ka9 s GLU 5 N -1.95 3.35 0.06 -4.83 -1.05 -1.26 -1.32 118.70 111.70 2ka9 s GLU 5 Ca 0.11 -0.69 -0.25 0.00 -0.15 0.00 0.00 54.97 53.99 2ka9 s GLU 5 Cb -0.01 -2.89 0.06 0.00 -0.44 0.00 0.00 34.13 30.86 2ka9 s GLU 5 CO -0.03 0.49 0.59 0.42 0.95 0.00 0.00 175.26 177.68 2ka9 s ILE 6 N -1.82 0.01 -0.22 1.83 1.01 0.27 -4.97 121.20 117.31 2ka9 s ILE 6 Ca 0.34 -0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.84 2ka9 s ILE 6 Cb -0.10 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 2ka9 s ILE 6 CO 0.28 -0.06 -0.02 0.42 0.00 0.00 0.00 174.94 175.56 2ka9 s THR 7 N -2.53 3.66 -0.51 2.92 -4.23 -1.25 -0.89 115.64 112.80 2ka9 s THR 7 Ca -0.05 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.06 2ka9 s THR 7 Cb -0.01 -2.66 0.13 0.00 1.34 0.00 0.00 72.50 71.30 2ka9 s THR 7 CO -0.02 0.42 0.28 -0.22 -0.54 0.00 0.00 174.62 174.54 2ka9 s LEU 8 N 1.32 4.87 0.18 4.79 2.96 -0.20 -4.87 118.68 127.73 2ka9 s LEU 8 Ca 0.04 -2.67 -0.30 0.00 -0.22 0.00 0.00 54.13 50.98 2ka9 s LEU 8 Cb -0.14 -1.75 -0.08 0.00 0.50 0.00 0.00 46.19 44.72 2ka9 s LEU 8 CO -0.00 -0.35 1.14 -0.70 -1.32 0.00 0.00 176.35 175.12 2ka9 s GLU 9 N 0.20 4.54 -0.47 1.98 -6.30 -1.19 -2.40 118.70 115.07 2ka9 s GLU 9 Ca 0.15 1.79 -0.28 0.00 -2.50 0.00 0.00 54.97 54.12 2ka9 s GLU 9 Cb -0.22 -3.26 -0.09 0.00 0.00 0.00 0.00 34.13 30.55 2ka9 s GLU 9 CO -0.03 -0.01 2.38 0.54 0.02 0.00 0.00 175.26 178.16 2ka9 n ARG 10 N 2.46 1.13 -0.16 4.30 1.74 0.17 -4.69 116.66 121.61 2ka9 n ARG 10 Ca 0.04 0.16 0.28 0.00 -0.77 0.00 0.00 57.85 57.56 2ka9 n ARG 10 Cb 0.46 -3.03 0.72 0.00 -1.02 0.00 0.00 32.46 29.58 2ka9 n ARG 10 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2ka9 h GLY 11 N 16.69 0.00 0.00 -0.13 0.00 -1.87 -3.44 103.07 114.31 2ka9 h GLY 11 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2ka9 h GLY 11 CO 1.12 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.82 2ka9 n ASN 12 N -4.07 0.00 -1.53 0.19 6.94 -1.26 -4.96 115.26 110.57 2ka9 n ASN 12 Ca 0.18 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.62 2ka9 n ASN 12 Cb 0.99 0.00 0.18 0.00 -2.36 0.00 0.00 39.78 38.59 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2ka9 n SER 13 N -0.31 3.06 0.00 0.53 7.64 -1.26 -5.03 113.62 118.25 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 2.50 0.09 0.23 0.00 -1.26 -4.99 105.19 100.64 2ka9 n GLY 14 Ca 0.42 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 0.04 -0.12 0.99 4.07 -1.92 -3.15 115.31 115.23 2ka9 h LEU 15 Ca 0.00 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 57.15 2ka9 h LEU 15 Cb 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.73 2ka9 h LEU 15 CO 0.00 1.24 0.00 0.61 -1.08 0.00 0.00 178.44 179.21 2ka9 n GLY 16 N 1.56 0.64 3.55 0.83 0.00 -1.26 0.11 105.19 110.61 2ka9 n GLY 16 Ca -0.19 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.04 -0.51 -0.19 1.61 -0.12 -1.26 -3.42 117.98 114.04 2ka9 s PHE 17 Ca 0.00 0.89 -0.06 0.00 -0.05 0.00 0.00 56.93 57.70 2ka9 s PHE 17 Cb 0.00 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2ka9 s PHE 17 CO 0.00 -0.47 0.04 -1.54 -0.05 0.00 0.00 175.22 173.19 2ka9 s SER 18 N -1.13 5.26 0.36 1.98 1.04 0.57 -5.00 113.70 116.77 2ka9 s SER 18 Ca -0.06 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.40 2ka9 s SER 18 Cb -0.00 -1.90 -0.07 0.00 0.10 0.00 0.00 66.02 64.15 2ka9 s SER 18 CO 0.06 0.11 -0.06 0.27 0.98 0.00 0.00 173.24 174.60 2ka9 s ILE 19 N 0.73 2.23 -0.18 -1.02 -4.36 -1.26 0.26 121.20 117.61 2ka9 s ILE 19 Ca 0.02 -2.14 -0.31 0.00 -0.26 0.00 0.00 60.65 57.96 2ka9 s ILE 19 Cb -0.14 -2.74 0.14 0.00 1.25 0.00 0.00 42.46 40.98 2ka9 s ILE 19 CO 0.02 -0.16 1.13 0.00 0.24 0.00 0.00 174.94 176.17 2ka9 s ALA 20 N -2.62 -2.00 0.00 2.27 0.00 -1.08 -4.89 121.76 113.44 2ka9 s ALA 20 Ca 0.33 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.90 2ka9 s ALA 20 Cb 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2ka9 s ALA 20 CO 0.17 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2ka9 n GLY 21 N 0.37 0.50 0.00 0.00 0.00 -1.26 -3.65 105.19 101.15 2ka9 n GLY 21 Ca -0.05 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2ka9 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 22 N 0.00 2.91 0.30 -0.02 0.00 -1.25 -4.30 105.19 102.84 2ka9 n GLY 22 Ca 0.00 -1.57 0.17 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 0.00 2.61 1.03 -1.13 -2.37 112.91 113.06 2ka9 h THR 23 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.20 2ka9 h THR 23 Cb 0.00 0.74 -0.03 0.00 -1.07 0.00 0.00 68.15 67.79 2ka9 h THR 23 CO 0.00 0.00 -1.25 -0.67 -0.01 0.00 0.00 175.52 173.59 2ka9 n ASP 24 N -2.80 1.86 -3.89 0.00 2.03 -1.26 -4.73 116.55 107.76 2ka9 n ASP 24 Ca -0.02 0.45 -0.28 0.00 0.52 0.00 0.00 54.79 55.46 2ka9 n ASP 24 Cb 0.20 -0.92 -0.12 0.00 -0.72 0.00 0.00 41.12 39.56 2ka9 n ASP 24 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2ka9 n ASN 25 N -4.45 3.14 -4.56 1.67 5.15 -1.00 -5.09 115.26 110.12 2ka9 n ASN 25 Ca -0.29 -3.23 -0.46 0.00 -0.60 0.00 0.00 54.58 50.00 2ka9 n ASN 25 Cb 0.61 -0.77 -0.02 0.00 -0.53 0.00 0.00 39.78 39.07 2ka9 n ASN 25 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2ka9 n PRO 26 N 1.91 1.13 0.25 1.20 -0.02 -0.93 -3.81 135.00 134.72 2ka9 n PRO 26 Ca 0.21 0.40 0.16 0.00 -2.02 0.00 0.00 63.50 62.25 2ka9 n PRO 26 Cb 0.35 -1.76 0.68 0.00 -0.02 0.00 0.00 33.50 32.75 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 2.28 0.00 0.00 6.00 -0.00 -1.79 -3.22 115.15 118.42 2ka9 h HIS 27 Ca -0.39 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 59.76 2ka9 h HIS 27 Cb 1.35 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.72 2ka9 h HIS 27 CO 0.49 0.00 -1.84 0.44 -0.00 0.00 0.00 177.93 177.02 2ka9 n ILE 28 N -2.87 0.84 0.00 6.26 -5.35 -1.26 -4.96 119.36 112.02 2ka9 n ILE 28 Ca 0.01 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2ka9 n ILE 28 Cb 0.27 -0.93 0.00 0.00 -1.74 0.00 0.00 39.64 37.24 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 2.63 1.70 1.63 3.28 0.00 -1.22 -4.98 105.19 108.23 2ka9 n GLY 29 Ca -0.24 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 2ka9 n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ka9 n ASP 30 N 0.00 -0.13 -3.15 1.61 -0.08 -1.26 -5.04 116.55 108.50 2ka9 n ASP 30 Ca 0.00 -1.09 0.04 0.00 -1.51 0.00 0.00 54.79 52.23 2ka9 n ASP 30 Cb 0.00 0.09 -0.00 0.00 2.34 0.00 0.00 41.12 43.55 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ka9 s ASP 31 N -0.06 -1.45 0.57 1.67 -1.08 -1.26 -5.02 116.67 110.04 2ka9 s ASP 31 Ca 0.00 0.07 0.26 0.00 -0.52 0.00 0.00 52.55 52.36 2ka9 s ASP 31 Cb 0.02 1.91 1.58 0.00 -1.46 0.00 0.00 42.92 44.97 2ka9 s ASP 31 CO -0.01 -0.25 2.12 1.55 0.52 0.00 0.00 175.17 179.10 2ka9 h PRO 32 N 7.76 0.00 -6.84 4.34 0.13 -1.88 -3.43 132.00 132.09 2ka9 h PRO 32 Ca -0.01 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.61 2ka9 h PRO 32 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 2ka9 h PRO 32 CO 0.11 0.00 0.47 0.45 -0.23 0.00 0.00 178.00 178.80 2ka9 s SER 33 N -6.15 7.13 0.31 1.44 0.15 -1.23 -2.73 113.70 112.62 2ka9 s SER 33 Ca -0.05 2.25 -0.10 0.00 0.70 0.00 0.00 55.95 58.75 2ka9 s SER 33 Cb 0.16 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.78 2ka9 s SER 33 CO 0.60 -0.24 0.64 -0.63 1.20 0.00 0.00 173.24 174.81 2ka9 s ILE 34 N -1.26 4.87 0.16 6.45 1.09 -1.26 -4.71 121.20 126.53 2ka9 s ILE 34 Ca 0.47 0.50 -0.03 0.00 -1.10 0.00 0.00 60.65 60.49 2ka9 s ILE 34 Cb -0.31 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.39 2ka9 s ILE 34 CO 0.39 -0.27 0.14 0.72 -0.10 0.00 0.00 174.94 175.83 2ka9 s PHE 35 N -2.05 0.79 0.27 3.97 -0.71 -1.24 -3.69 117.98 115.32 2ka9 s PHE 35 Ca 0.49 -1.13 -0.06 0.00 -1.04 0.00 0.00 56.93 55.19 2ka9 s PHE 35 Cb -0.11 -0.37 -0.06 0.00 -1.21 0.00 0.00 43.02 41.28 2ka9 s PHE 35 CO 0.25 -0.61 0.54 0.42 -1.34 0.00 0.00 175.22 174.48 2ka9 s ILE 36 N -4.05 5.02 -0.18 -4.49 1.01 0.30 -2.62 121.20 116.18 2ka9 s ILE 36 Ca 0.25 0.13 0.02 0.00 0.00 0.00 0.00 60.65 61.05 2ka9 s ILE 36 Cb 0.06 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.71 2ka9 s ILE 36 CO 0.04 -0.25 -0.15 0.41 0.00 0.00 0.00 174.94 174.98 2ka9 n THR 37 N -0.72 1.03 -3.51 2.92 -1.04 0.14 -2.51 114.28 110.60 2ka9 n THR 37 Ca -0.01 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.05 61.49 2ka9 n THR 37 Cb 0.53 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 2ka9 n THR 37 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2ka9 s LYS 38 N -2.36 0.88 -0.01 -2.82 -2.85 -1.23 -4.76 119.74 106.59 2ka9 s LYS 38 Ca -0.24 -0.15 0.07 0.00 -1.00 0.00 0.00 55.97 54.65 2ka9 s LYS 38 Cb 0.06 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2ka9 s LYS 38 CO 0.42 -0.35 -0.23 0.42 0.10 0.00 0.00 175.35 175.71 2ka9 s ILE 39 N -2.52 2.35 -0.14 3.79 1.01 -1.26 -0.32 121.20 124.11 2ka9 s ILE 39 Ca 0.01 -1.09 -0.22 0.00 0.00 0.00 0.00 60.65 59.35 2ka9 s ILE 39 Cb -0.01 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 2ka9 s ILE 39 CO -0.05 0.52 0.65 -0.63 0.00 0.00 0.00 174.94 175.43 2ka9 s ILE 40 N -0.70 5.04 -0.53 2.92 1.01 -1.22 -4.95 121.20 122.76 2ka9 s ILE 40 Ca 0.11 1.29 -0.10 0.00 0.00 0.00 0.00 60.65 61.95 2ka9 s ILE 40 Cb -0.10 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 2ka9 s ILE 40 CO 0.01 0.18 1.71 -2.65 0.00 0.00 0.00 174.94 174.19 2ka9 n PRO 41 N 4.41 1.16 0.22 2.79 -0.02 -1.26 -3.40 135.00 138.90 2ka9 n PRO 41 Ca -0.02 -1.22 0.00 0.00 -2.02 0.00 0.00 63.50 60.24 2ka9 n PRO 41 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 4.12 -1.50 2.50 -1.23 0.00 -1.26 -5.08 105.19 102.74 2ka9 n GLY 42 Ca 0.34 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.97 -3.71 0.22 -0.02 0.00 -1.22 -4.83 105.19 94.66 2ka9 n GLY 43 Ca 0.00 -1.20 0.15 0.00 0.00 0.00 0.00 46.02 44.96 2ka9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 44 N -3.23 1.00 0.75 4.61 0.00 0.06 -3.20 119.26 119.25 2ka9 h ALA 44 Ca -0.29 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2ka9 h ALA 44 Cb 0.99 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ka9 h ALA 44 CO 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 179.25 179.07 2ka9 h ALA 45 N 2.09 -1.01 0.00 0.00 0.00 0.50 0.58 119.26 121.42 2ka9 h ALA 45 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2ka9 h ALA 45 Cb 0.65 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2ka9 h ALA 45 CO 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 179.25 178.01 2ka9 h ALA 46 N -0.75 1.53 -0.19 0.00 0.00 -1.75 0.61 119.26 118.70 2ka9 h ALA 46 Ca -0.10 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 2ka9 h ALA 46 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ka9 h ALA 46 CO 0.17 0.22 -0.56 0.37 0.00 0.00 0.00 179.25 179.45 2ka9 h GLN 47 N 0.00 0.72 0.00 0.00 5.75 -1.46 -3.11 115.11 117.01 2ka9 h GLN 47 Ca -0.00 -0.51 -0.19 0.00 -0.15 0.00 0.00 58.65 57.79 2ka9 h GLN 47 Cb 0.35 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 2ka9 h GLN 47 CO 0.02 1.14 -0.86 -0.44 -2.65 0.00 0.00 178.83 176.04 2ka9 h ASP 48 N 0.43 0.20 -5.00 -0.69 5.19 0.75 -3.46 116.42 113.84 2ka9 h ASP 48 Ca -0.02 -0.17 -0.21 0.00 -0.62 0.00 0.00 57.03 56.02 2ka9 h ASP 48 Cb 1.18 -0.06 -0.10 0.00 0.18 0.00 0.00 39.33 40.52 2ka9 h ASP 48 CO 0.12 0.97 -0.31 0.61 -3.12 0.00 0.00 179.24 177.50 2ka9 n GLY 49 N 0.85 -0.09 1.49 2.75 0.00 0.21 -4.71 105.19 105.68 2ka9 n GLY 49 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2ka9 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka9 n ARG 50 N -1.92 3.28 -3.61 1.61 3.00 -1.26 -4.93 116.66 112.83 2ka9 n ARG 50 Ca -0.03 -2.06 0.02 0.00 -0.01 0.00 0.00 57.85 55.77 2ka9 n ARG 50 Cb 0.19 -1.97 -0.00 0.00 0.00 0.00 0.00 32.46 30.67 2ka9 n ARG 50 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2ka9 s LEU 51 N -1.88 -0.05 0.30 0.55 2.34 -1.26 -5.02 118.68 113.67 2ka9 s LEU 51 Ca 0.36 -0.11 0.06 0.00 0.06 0.00 0.00 54.13 54.50 2ka9 s LEU 51 Cb 0.28 1.32 -0.02 0.00 -0.56 0.00 0.00 46.19 47.21 2ka9 s LEU 51 CO 0.10 -0.25 0.39 -0.13 -1.06 0.00 0.00 176.35 175.40 2ka9 s ARG 52 N -2.35 3.11 0.02 1.48 1.81 -1.26 -5.04 118.95 116.72 2ka9 s ARG 52 Ca 0.14 -1.00 -0.21 0.00 -1.72 0.00 0.00 55.73 52.94 2ka9 s ARG 52 Cb 0.05 -2.76 -0.17 0.00 -0.45 0.00 0.00 34.95 31.63 2ka9 s ARG 52 CO -0.04 0.19 1.28 -0.39 -0.68 0.00 0.00 175.30 175.65 2ka9 h VAL 53 N 1.08 1.38 0.00 3.52 -1.51 -1.89 -3.12 116.25 115.72 2ka9 h VAL 53 Ca -0.47 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 2ka9 h VAL 53 Cb 1.25 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 32.48 2ka9 h VAL 53 CO 0.56 0.41 0.00 0.59 -1.23 0.00 0.00 177.57 177.91 2ka9 n ASN 54 N -4.54 0.07 -4.14 4.19 3.02 -1.04 0.11 115.26 112.92 2ka9 n ASN 54 Ca -0.07 -0.95 -0.30 0.00 -0.03 0.00 0.00 54.58 53.23 2ka9 n ASN 54 Cb 0.40 -0.03 0.19 0.00 -0.61 0.00 0.00 39.78 39.72 2ka9 n ASN 54 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2ka9 s ASP 55 N -1.38 2.64 -0.29 6.41 -4.77 -1.18 -4.83 116.67 113.26 2ka9 s ASP 55 Ca 0.00 0.44 0.01 0.00 -3.30 0.00 0.00 52.55 49.70 2ka9 s ASP 55 Cb 0.00 -0.60 0.09 0.00 -1.09 0.00 0.00 42.92 41.32 2ka9 s ASP 55 CO 0.00 -3.04 0.05 -0.55 0.70 0.00 0.00 175.17 172.33 2ka9 s SER 56 N -4.55 4.11 -0.69 2.11 0.15 0.13 -3.85 113.70 111.12 2ka9 s SER 56 Ca 0.72 -1.62 -0.25 0.00 0.70 0.00 0.00 55.95 55.49 2ka9 s SER 56 Cb -0.07 -1.10 -0.13 0.00 -1.71 0.00 0.00 66.02 63.02 2ka9 s SER 56 CO 0.54 -0.36 2.42 2.30 1.20 0.00 0.00 173.24 179.33 2ka9 n ILE 57 N 4.68 -0.04 0.21 6.45 -5.35 -1.24 -0.53 119.36 123.53 2ka9 n ILE 57 Ca -0.03 -0.60 0.13 0.00 -0.27 0.00 0.00 62.75 61.98 2ka9 n ILE 57 Cb 0.43 -2.13 0.72 0.00 -1.74 0.00 0.00 39.64 36.92 2ka9 n ILE 57 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2ka9 h LEU 58 N 19.96 0.00 -7.00 7.28 3.38 0.71 -3.38 115.31 136.27 2ka9 h LEU 58 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2ka9 h LEU 58 Cb 1.15 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.69 2ka9 h LEU 58 CO 1.13 0.00 0.32 0.12 0.09 0.00 0.00 178.44 180.11 2ka9 s PHE 59 N -4.92 -0.55 -0.03 1.13 5.36 0.19 -4.02 117.98 115.14 2ka9 s PHE 59 Ca -0.05 0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 56.82 2ka9 s PHE 59 Cb 0.17 0.43 0.03 0.00 -0.34 0.00 0.00 43.02 43.31 2ka9 s PHE 59 CO 0.64 -0.52 0.07 0.08 -1.46 0.00 0.00 175.22 174.03 2ka9 s VAL 60 N -1.29 -0.05 -1.60 3.12 1.01 -1.09 0.13 120.40 120.64 2ka9 s VAL 60 Ca -0.07 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2ka9 s VAL 60 Cb -0.00 -0.13 0.16 0.00 0.00 0.00 0.00 36.38 36.41 2ka9 s VAL 60 CO 0.06 0.07 0.67 0.59 0.00 0.00 0.00 175.10 176.49 2ka9 n ASN 61 N 4.01 -2.96 -2.66 3.32 3.02 -1.24 0.13 115.26 118.88 2ka9 n ASN 61 Ca -0.25 -0.89 -0.20 0.00 -0.03 0.00 0.00 54.58 53.20 2ka9 n ASN 61 Cb 0.52 -2.46 0.02 0.00 -0.61 0.00 0.00 39.78 37.26 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 -4.12 -3.83 -5.10 3.52 4.71 -1.26 -4.99 120.64 109.56 2ka9 n GLU 62 Ca 0.07 0.87 -0.30 0.00 -0.01 0.00 0.00 57.16 57.79 2ka9 n GLU 62 Cb 0.49 -5.56 -0.15 0.00 -1.01 0.00 0.00 31.44 25.21 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2ka9 s VAL 63 N -3.10 2.00 -0.57 2.62 1.01 0.34 -5.07 120.40 117.64 2ka9 s VAL 63 Ca 0.21 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 2ka9 s VAL 63 Cb -0.09 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2ka9 s VAL 63 CO 0.26 0.47 2.02 1.51 0.00 0.00 0.00 175.10 179.37 2ka9 s ASP 64 N -0.83 5.05 -0.35 3.32 -4.77 -1.26 -2.65 116.67 115.18 2ka9 s ASP 64 Ca 0.10 0.59 0.14 0.00 -3.30 0.00 0.00 52.55 50.08 2ka9 s ASP 64 Cb -0.10 -2.52 0.45 0.00 -1.09 0.00 0.00 42.92 39.67 2ka9 s ASP 64 CO 0.00 -2.50 1.02 0.52 0.70 0.00 0.00 175.17 174.92 2ka9 n VAL 65 N 7.45 1.50 0.41 2.11 0.31 -1.26 -4.73 118.33 124.11 2ka9 n VAL 65 Ca 0.25 -3.66 0.08 0.00 -0.01 0.00 0.00 64.34 61.00 2ka9 n VAL 65 Cb 0.53 0.07 -0.11 0.00 -0.91 0.00 0.00 33.84 33.42 2ka9 n VAL 65 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2ka9 n ARG 66 N -0.27 1.20 -2.51 5.55 0.63 -1.26 -4.49 116.66 115.52 2ka9 n ARG 66 Ca 0.19 -0.07 -0.04 0.00 -0.92 0.00 0.00 57.85 57.02 2ka9 n ARG 66 Cb 0.78 -1.31 0.05 0.00 0.45 0.00 0.00 32.46 32.43 2ka9 n ARG 66 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2ka9 n GLU 67 N -1.69 0.63 -4.31 -0.14 0.00 -1.26 -3.48 120.64 110.39 2ka9 n GLU 67 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 57.16 55.86 2ka9 n GLU 67 Cb 0.33 0.05 -0.11 0.00 0.00 0.00 0.00 31.44 31.70 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2ka9 s VAL 68 N 0.09 2.94 0.76 3.84 -7.23 -1.26 -4.58 120.40 114.97 2ka9 s VAL 68 Ca 0.09 -1.44 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 2ka9 s VAL 68 Cb 0.21 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2ka9 s VAL 68 CO -0.05 0.12 0.37 0.35 -0.31 0.00 0.00 175.10 175.58 2ka9 n THR 69 N 0.83 1.27 -0.16 5.32 -2.24 -1.26 -1.71 114.28 116.33 2ka9 n THR 69 Ca -0.15 -0.38 -0.02 0.00 -2.27 0.00 0.00 64.05 61.22 2ka9 n THR 69 Cb 0.53 -0.61 0.06 0.00 -2.10 0.00 0.00 70.33 68.20 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2ka9 h HIS 70 N -0.55 -0.00 -1.02 4.78 2.76 -1.84 -0.22 115.15 119.06 2ka9 h HIS 70 Ca -0.45 0.04 0.25 0.00 -2.20 0.00 0.00 60.37 58.01 2ka9 h HIS 70 Cb 1.34 0.08 -0.09 0.00 1.55 0.00 0.00 27.41 30.29 2ka9 h HIS 70 CO 0.33 -0.10 0.65 1.03 -1.30 0.00 0.00 177.93 178.55 2ka9 h SER 71 N 0.13 0.46 0.57 3.26 0.87 -1.93 0.72 113.55 117.62 2ka9 h SER 71 Ca 0.26 0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.74 2ka9 h SER 71 Cb 0.39 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2ka9 h SER 71 CO -0.41 0.11 -0.71 0.00 -0.53 0.00 0.00 176.83 175.29 2ka9 h ALA 72 N 1.62 0.76 -0.23 6.23 0.00 -1.37 -1.81 119.26 124.46 2ka9 h ALA 72 Ca 0.57 -0.63 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2ka9 h ALA 72 Cb 1.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2ka9 h ALA 72 CO -0.28 0.84 -0.58 0.00 0.00 0.00 0.00 179.25 179.23 2ka9 h ALA 73 N 1.18 0.38 -0.36 0.00 0.00 0.78 -1.40 119.26 119.85 2ka9 h ALA 73 Ca -0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 2ka9 h ALA 73 Cb 1.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2ka9 h ALA 73 CO 0.10 0.62 -0.10 -0.24 0.00 0.00 0.00 179.25 179.64 2ka9 h VAL 74 N 0.55 1.24 -0.10 0.00 3.04 -0.40 -1.91 116.25 118.67 2ka9 h VAL 74 Ca -0.01 -1.05 -0.11 0.00 -1.01 0.00 0.00 66.70 64.52 2ka9 h VAL 74 Cb 1.19 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 2ka9 h VAL 74 CO 0.13 0.35 -0.45 -0.33 -1.01 0.00 0.00 177.57 176.26 2ka9 h GLU 75 N 0.57 0.24 -0.33 4.17 5.08 -1.18 0.20 114.58 123.33 2ka9 h GLU 75 Ca 0.10 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2ka9 h GLU 75 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ka9 h GLU 75 CO 0.03 0.65 -0.25 0.00 -1.00 0.00 0.00 179.01 178.44 2ka9 h ALA 76 N 1.34 0.47 0.00 3.43 0.00 -0.70 -1.26 119.26 122.54 2ka9 h ALA 76 Ca 0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2ka9 h ALA 76 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2ka9 h ALA 76 CO 0.07 0.46 -0.51 1.37 0.00 0.00 0.00 179.25 180.64 2ka9 h LEU 77 N 0.52 0.00 -0.72 0.00 8.10 -1.26 -0.99 115.31 120.96 2ka9 h LEU 77 Ca 0.06 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.93 2ka9 h LEU 77 Cb 0.81 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.02 2ka9 h LEU 77 CO 0.07 0.51 -0.35 0.50 -4.11 0.00 0.00 178.44 175.06 2ka9 h LYS 78 N 0.00 0.58 -0.49 0.17 3.64 -0.36 -2.89 116.57 117.22 2ka9 h LYS 78 Ca -0.01 -0.27 -0.24 0.00 -1.27 0.00 0.00 60.65 58.87 2ka9 h LYS 78 Cb 1.19 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.86 2ka9 h LYS 78 CO 0.07 0.85 0.09 -1.91 -2.27 0.00 0.00 179.45 176.27 2ka9 n GLU 79 N -4.06 2.07 0.09 1.90 2.13 -0.50 -4.56 120.64 117.72 2ka9 n GLU 79 Ca -0.01 -3.12 -0.04 0.00 0.66 0.00 0.00 57.16 54.64 2ka9 n GLU 79 Cb 0.48 -1.91 -0.01 0.00 0.27 0.00 0.00 31.44 30.27 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ka9 h ALA 80 N 1.12 0.57 0.00 4.31 0.00 -0.95 -3.49 119.26 120.82 2ka9 h ALA 80 Ca 0.29 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ka9 h ALA 80 Cb 1.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2ka9 h ALA 80 CO 0.54 1.03 0.00 0.41 0.00 0.00 0.00 179.25 181.23 2ka9 n GLY 81 N 1.02 1.34 2.04 0.00 0.00 -1.26 -4.51 105.19 103.82 2ka9 n GLY 81 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 2.75 -0.67 -4.35 1.61 7.64 -1.26 -4.88 113.62 114.44 2ka9 n SER 82 Ca 0.00 0.18 -0.46 0.00 1.01 0.00 0.00 58.87 59.61 2ka9 n SER 82 Cb 0.00 0.89 -0.01 0.00 -1.01 0.00 0.00 64.21 64.08 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 5.67 -0.38 0.44 1.09 -1.26 0.42 121.20 125.18 2ka9 s ILE 83 Ca 0.00 -2.84 -0.25 0.00 -1.10 0.00 0.00 60.65 56.46 2ka9 s ILE 83 Cb 0.00 -4.59 0.02 0.00 -1.06 0.00 0.00 42.46 36.83 2ka9 s ILE 83 CO 0.00 -1.18 0.91 0.68 -0.10 0.00 0.00 174.94 175.24 2ka9 s VAL 84 N -0.15 4.59 -1.19 2.92 -7.23 -1.01 -4.76 120.40 113.57 2ka9 s VAL 84 Ca 0.27 1.09 -0.12 0.00 -1.81 0.00 0.00 61.98 61.41 2ka9 s VAL 84 Cb -0.09 -4.33 0.21 0.00 0.56 0.00 0.00 36.38 32.72 2ka9 s VAL 84 CO -0.08 -0.57 1.39 -1.14 -0.31 0.00 0.00 175.10 174.40 2ka9 n ARG 85 N 6.78 3.48 -3.87 4.82 0.63 -1.25 -1.04 116.66 126.22 2ka9 n ARG 85 Ca 0.06 -4.01 -0.27 0.00 -0.92 0.00 0.00 57.85 52.71 2ka9 n ARG 85 Cb 0.48 -2.88 -0.03 0.00 0.45 0.00 0.00 32.46 30.48 2ka9 n ARG 85 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2ka9 s LEU 86 N 0.50 4.31 -0.29 6.15 2.34 -0.07 -3.65 118.68 127.97 2ka9 s LEU 86 Ca 0.39 0.25 -0.06 0.00 0.06 0.00 0.00 54.13 54.77 2ka9 s LEU 86 Cb -0.03 -2.99 0.01 0.00 -0.56 0.00 0.00 46.19 42.61 2ka9 s LEU 86 CO -0.02 0.04 0.05 -0.47 -1.06 0.00 0.00 176.35 174.90 2ka9 s TYR 87 N -1.74 3.13 0.38 3.48 6.14 0.34 -0.57 117.35 128.52 2ka9 s TYR 87 Ca 0.36 -1.07 0.08 0.00 0.64 0.00 0.00 57.07 57.07 2ka9 s TYR 87 Cb -0.11 -2.22 -0.03 0.00 0.42 0.00 0.00 41.96 40.02 2ka9 s TYR 87 CO 0.28 -0.60 0.29 0.14 0.64 0.00 0.00 175.55 176.31 2ka9 s VAL 88 N 1.47 2.87 -0.19 3.14 -7.23 -0.43 0.12 120.40 120.15 2ka9 s VAL 88 Ca 0.02 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2ka9 s VAL 88 Cb -0.17 -3.04 0.06 0.00 0.56 0.00 0.00 36.38 33.79 2ka9 s VAL 88 CO 0.01 -0.07 0.06 -0.32 -0.31 0.00 0.00 175.10 174.47 2ka9 s MET 89 N -4.02 0.47 -0.28 4.82 1.75 0.31 -2.14 119.30 120.20 2ka9 s MET 89 Ca 0.44 -0.34 -0.03 0.00 -1.25 0.00 0.00 55.69 54.50 2ka9 s MET 89 Cb -0.03 -2.00 0.03 0.00 2.84 0.00 0.00 34.83 35.68 2ka9 s MET 89 CO 0.26 -0.67 0.00 0.50 -0.65 0.00 0.00 175.02 174.46 2ka9 s ARG 90 N 1.94 2.72 0.45 4.11 3.52 -0.84 0.21 118.95 131.05 2ka9 s ARG 90 Ca 0.00 -1.08 -0.24 0.00 -0.13 0.00 0.00 55.73 54.28 2ka9 s ARG 90 Cb -0.17 -3.17 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 2ka9 s ARG 90 CO -0.10 -0.51 1.27 1.03 -0.81 0.00 0.00 175.30 176.19 2ka9 s ARG 91 N 1.34 3.75 1.03 5.12 0.52 -1.26 -1.79 118.95 127.67 2ka9 s ARG 91 Ca -0.02 2.06 -0.14 0.00 -0.52 0.00 0.00 55.73 57.12 2ka9 s ARG 91 Cb -0.18 -2.56 0.13 0.00 0.52 0.00 0.00 34.95 32.86 2ka9 s ARG 91 CO -0.01 -0.64 0.61 1.63 0.02 0.00 0.00 175.30 176.91 2ka9 n LYS 92 N -0.26 -1.13 -1.96 3.54 5.02 -1.26 -4.84 118.16 117.27 2ka9 n LYS 92 Ca 0.06 -0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 55.69 2ka9 n LYS 92 Cb 0.45 -2.00 0.04 0.00 -0.02 0.00 0.00 35.03 33.49 2ka9 n LYS 92 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2ka9 s PRO 93 N -3.98 3.00 0.00 1.97 0.04 -1.26 -4.99 135.00 129.78 2ka9 s PRO 93 Ca 0.61 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2ka9 s PRO 93 Cb -0.20 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2ka9 s PRO 93 CO 0.65 -1.21 0.00 -2.30 0.04 0.00 0.00 177.00 174.18 2ka9 n PRO 94 N -1.45 0.60 -0.94 0.56 -0.02 -1.26 -4.73 135.00 127.76 2ka9 n PRO 94 Ca 0.13 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.56 2ka9 n PRO 94 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.91 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 3.40 -2.57 3.55 0.00 -1.26 -4.52 120.51 116.10 2ka9 n ALA 95 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.34 2ka9 n ALA 95 Cb 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 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 0.00 3.62 -0.06 0.00 2.12 -1.26 -4.04 118.70 119.08 2ka9 s GLU 96 Ca 0.02 0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.49 2ka9 s GLU 96 Cb 0.02 -3.88 0.02 0.00 0.26 0.00 0.00 34.13 30.55 2ka9 s GLU 96 CO -0.01 -1.06 0.20 0.15 -0.54 0.00 0.00 175.26 174.00 2ka9 s LYS 97 N 3.45 0.31 -0.32 4.30 3.01 -1.25 -4.97 119.74 124.27 2ka9 s LYS 97 Ca 0.34 0.15 -0.10 0.00 -1.01 0.00 0.00 55.97 55.35 2ka9 s LYS 97 Cb -0.12 0.14 -0.01 0.00 -1.01 0.00 0.00 37.83 36.84 2ka9 s LYS 97 CO 0.22 -0.05 0.17 0.54 0.51 0.00 0.00 175.35 176.74 2ka9 s VAL 98 N -0.22 4.78 0.50 3.17 0.11 -1.26 0.27 120.40 127.75 2ka9 s VAL 98 Ca -0.03 -0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2ka9 s VAL 98 Cb -0.03 -3.43 0.01 0.00 -1.53 0.00 0.00 36.38 31.40 2ka9 s VAL 98 CO 0.01 0.06 0.74 -0.04 -3.33 0.00 0.00 175.10 172.53 2ka9 s MET 99 N 1.64 2.84 -0.23 1.54 -1.94 0.32 -4.93 119.30 118.54 2ka9 s MET 99 Ca 0.05 -0.55 -0.03 0.00 -1.71 0.00 0.00 55.69 53.46 2ka9 s MET 99 Cb -0.17 -2.50 0.07 0.00 2.01 0.00 0.00 34.83 34.24 2ka9 s MET 99 CO 0.07 -0.49 0.06 -1.83 -0.01 0.00 0.00 175.02 172.83 2ka9 s GLU 100 N -4.68 0.58 0.19 2.03 -1.05 -1.26 -1.53 118.70 112.98 2ka9 s GLU 100 Ca 0.52 -0.56 0.09 0.00 -0.15 0.00 0.00 54.97 54.87 2ka9 s GLU 100 Cb -0.10 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.59 2ka9 s GLU 100 CO 0.39 -0.77 -0.08 0.42 0.95 0.00 0.00 175.26 176.17 2ka9 s ILE 101 N 1.85 3.23 -0.21 1.83 -1.09 0.09 -4.95 121.20 121.95 2ka9 s ILE 101 Ca 0.03 -1.70 -0.05 0.00 -2.23 0.00 0.00 60.65 56.69 2ka9 s ILE 101 Cb -0.17 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 2ka9 s ILE 101 CO -0.15 -0.15 0.01 -0.54 -1.23 0.00 0.00 174.94 172.87 2ka9 s LYS 102 N -2.97 3.63 -0.13 2.79 1.02 -1.26 0.12 119.74 122.95 2ka9 s LYS 102 Ca 0.26 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 2ka9 s LYS 102 Cb -0.08 -3.12 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2ka9 s LYS 102 CO 0.16 -0.02 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.34 2ka9 s LEU 103 N 1.09 1.25 0.07 3.17 0.20 0.88 -2.74 118.68 122.60 2ka9 s LEU 103 Ca 0.03 -0.39 -0.10 0.00 0.69 0.00 0.00 54.13 54.35 2ka9 s LEU 103 Cb -0.14 -0.83 -0.06 0.00 -0.43 0.00 0.00 46.19 44.73 2ka9 s LEU 103 CO 0.02 -0.14 0.41 0.27 -0.29 0.00 0.00 176.35 176.61 2ka9 s ILE 104 N 1.71 5.08 0.60 6.68 -4.36 -1.26 -1.80 121.20 127.85 2ka9 s ILE 104 Ca 0.04 0.50 -0.17 0.00 -0.26 0.00 0.00 60.65 60.76 2ka9 s ILE 104 Cb -0.13 -3.65 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 2ka9 s ILE 104 CO -0.08 0.32 1.11 -0.75 0.24 0.00 0.00 174.94 175.77 2ka9 s LYS 105 N -1.83 3.14 0.15 0.37 2.20 0.10 -4.51 119.74 119.36 2ka9 s LYS 105 Ca 0.32 1.45 0.04 0.00 -0.36 0.00 0.00 55.97 57.42 2ka9 s LYS 105 Cb -0.14 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 2ka9 s LYS 105 CO 0.18 -0.99 -0.08 0.20 -0.36 0.00 0.00 175.35 174.29 2ka9 s GLY 106 N -2.27 1.05 0.35 5.54 0.00 0.32 -4.92 107.32 107.40 2ka9 s GLY 106 Ca 0.69 -1.49 0.08 0.00 0.00 0.00 0.00 44.72 44.00 2ka9 s GLY 106 CO 0.34 -1.57 1.86 -2.55 0.00 0.00 0.00 173.10 171.19 2ka9 h PRO 107 N 2.79 0.70 -0.70 2.90 0.11 -2.00 0.50 132.00 136.30 2ka9 h PRO 107 Ca -0.36 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 2ka9 h PRO 107 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2ka9 h PRO 107 CO 0.64 0.46 0.05 0.36 -0.21 0.00 0.00 178.00 179.30 2ka9 n LYS 108 N -4.57 3.92 0.00 1.05 0.00 -1.26 -5.03 118.16 112.27 2ka9 n LYS 108 Ca 0.18 -2.51 0.00 0.00 -0.00 0.00 0.00 58.31 55.98 2ka9 n LYS 108 Cb 0.47 -2.10 0.00 0.00 -0.00 0.00 0.00 35.03 33.40 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ka9 n GLY 109 N 0.37 -0.80 0.05 2.58 0.00 0.18 -4.43 105.19 103.14 2ka9 n GLY 109 Ca 0.25 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.95 0.99 4.32 -1.26 0.12 117.00 119.82 2ka9 n LEU 110 Ca 0.00 0.27 -0.03 0.00 -0.02 0.00 0.00 56.01 56.23 2ka9 n LEU 110 Cb 0.00 -0.25 0.01 0.00 -1.62 0.00 0.00 43.42 41.56 2ka9 n LEU 110 CO 0.00 -0.03 0.03 0.61 -1.22 0.00 0.00 177.39 176.78 2ka9 n GLY 111 N 1.38 0.08 3.64 -0.72 0.00 -1.26 -2.75 105.19 105.55 2ka9 n GLY 111 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 2ka9 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 112 N -3.07 -0.07 -0.26 1.61 -0.71 -1.26 -4.09 117.98 110.12 2ka9 s PHE 112 Ca 0.08 0.11 -0.06 0.00 -1.04 0.00 0.00 56.93 56.03 2ka9 s PHE 112 Cb -0.01 0.49 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 2ka9 s PHE 112 CO 0.20 -0.07 0.03 0.45 -1.34 0.00 0.00 175.22 174.49 2ka9 s SER 113 N -1.11 4.83 0.06 1.98 0.15 0.46 -4.98 113.70 115.09 2ka9 s SER 113 Ca 0.08 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 56.17 2ka9 s SER 113 Cb -0.01 -1.83 -0.03 0.00 -1.71 0.00 0.00 66.02 62.45 2ka9 s SER 113 CO -0.07 -0.12 -0.07 0.27 1.20 0.00 0.00 173.24 174.46 2ka9 s ILE 114 N 1.49 0.53 -0.18 6.45 -4.36 -1.26 0.26 121.20 124.12 2ka9 s ILE 114 Ca 0.04 -1.33 -0.08 0.00 -0.26 0.00 0.00 60.65 59.01 2ka9 s ILE 114 Cb -0.16 -0.91 0.07 0.00 1.25 0.00 0.00 42.46 42.71 2ka9 s ILE 114 CO 0.00 -0.56 0.41 0.00 0.24 0.00 0.00 174.94 175.03 2ka9 s ALA 115 N -2.13 -1.07 0.20 2.27 0.00 -0.36 -4.98 121.76 115.70 2ka9 s ALA 115 Ca -0.04 1.49 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 2ka9 s ALA 115 Cb -0.05 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.98 2ka9 s ALA 115 CO -0.02 -0.51 0.34 0.41 0.00 0.00 0.00 175.76 175.99 2ka9 n GLY 116 N 4.83 1.98 0.00 0.00 0.00 -1.20 -2.95 105.19 107.85 2ka9 n GLY 116 Ca -0.16 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.90 3.79 -0.02 0.00 0.12 -3.25 105.19 104.64 2ka9 n GLY 117 Ca -0.02 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.16 3.69 0.00 1.61 1.01 -1.26 -1.12 120.40 123.16 2ka9 s VAL 118 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2ka9 s VAL 118 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2ka9 s VAL 118 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.47 2ka9 n GLY 119 N -0.22 2.76 2.73 4.51 0.00 -1.26 -1.67 105.19 112.04 2ka9 n GLY 119 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.50 -2.51 0.00 1.61 2.85 -1.22 -4.99 115.26 111.51 2ka9 n ASN 120 Ca 0.00 -3.01 0.08 0.00 -0.11 0.00 0.00 54.58 51.54 2ka9 n ASN 120 Cb 0.00 1.61 0.42 0.00 1.24 0.00 0.00 39.78 43.05 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ka9 n GLN 121 N 1.50 0.28 0.00 1.20 6.02 -0.28 -3.22 117.38 122.89 2ka9 n GLN 121 Ca 0.07 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 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 -3.21 1.08 -0.00 -1.26 -4.36 115.22 106.24 2ka9 n HIS 122 Ca 0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.42 2ka9 n HIS 122 Cb 0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.05 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 4.78 -0.69 3.57 1.01 -1.26 -4.96 121.20 123.65 2ka9 s ILE 123 Ca 0.00 1.29 -0.09 0.00 0.00 0.00 0.00 60.65 61.85 2ka9 s ILE 123 Cb 0.00 -3.94 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 2ka9 s ILE 123 CO 0.00 0.48 1.86 -0.81 0.00 0.00 0.00 174.94 176.47 2ka9 n PRO 124 N 2.20 1.53 0.00 2.79 -0.04 -1.26 -3.31 135.00 136.90 2ka9 n PRO 124 Ca -0.08 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 2ka9 n PRO 124 Cb 0.51 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka9 n GLY 125 N 3.99 0.26 3.13 0.55 0.00 -1.26 -5.14 105.19 106.72 2ka9 n GLY 125 Ca 0.38 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 46.01 2ka9 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 126 N 0.00 -0.45 0.65 1.61 1.11 -1.21 -5.01 116.67 113.36 2ka9 s ASP 126 Ca 0.00 0.03 0.43 0.00 0.18 0.00 0.00 52.55 53.20 2ka9 s ASP 126 Cb 0.00 1.24 2.34 0.00 1.07 0.00 0.00 42.92 47.56 2ka9 s ASP 126 CO 0.00 -0.08 2.33 0.78 1.18 0.00 0.00 175.17 179.37 2ka9 h ASN 127 N 7.16 0.00 -3.84 0.27 2.35 -1.88 -3.41 115.58 116.23 2ka9 h ASN 127 Ca -0.09 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.10 2ka9 h ASN 127 Cb 1.18 0.00 0.17 0.00 0.05 0.00 0.00 38.32 39.72 2ka9 h ASN 127 CO -0.09 0.00 0.25 -1.20 -1.65 0.00 0.00 177.43 174.74 2ka9 n SER 128 N -3.04 1.09 -4.58 5.81 7.64 -1.26 0.12 113.62 119.41 2ka9 n SER 128 Ca -0.03 0.75 -0.42 0.00 1.01 0.00 0.00 58.87 60.19 2ka9 n SER 128 Cb 0.08 -1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 61.76 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 129 N -1.61 4.91 0.16 0.44 1.01 -1.18 -4.31 121.20 120.62 2ka9 s ILE 129 Ca 0.77 0.62 0.06 0.00 0.00 0.00 0.00 60.65 62.11 2ka9 s ILE 129 Cb -0.37 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2ka9 s ILE 129 CO 0.46 -0.26 0.03 -0.31 0.00 0.00 0.00 174.94 174.86 2ka9 s TYR 130 N 2.65 2.94 0.34 3.97 1.51 -1.15 -0.51 117.35 127.09 2ka9 s TYR 130 Ca 0.24 -0.09 -0.06 0.00 -1.01 0.00 0.00 57.07 56.15 2ka9 s TYR 130 Cb -0.15 -1.44 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 2ka9 s TYR 130 CO 0.14 0.51 0.62 0.08 -1.11 0.00 0.00 175.55 175.79 2ka9 s VAL 131 N -1.66 4.97 0.00 0.71 1.01 -0.34 -1.22 120.40 123.87 2ka9 s VAL 131 Ca 0.28 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2ka9 s VAL 131 Cb -0.10 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2ka9 s VAL 131 CO 0.20 -0.44 0.00 0.41 0.00 0.00 0.00 175.10 175.27 2ka9 n THR 132 N -1.22 0.00 -3.71 3.92 -1.04 0.14 -3.90 114.28 108.46 2ka9 n THR 132 Ca -0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 2ka9 n THR 132 Cb 0.54 -0.13 -0.08 0.00 -1.82 0.00 0.00 70.33 68.84 2ka9 n THR 132 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ka9 s LYS 133 N -1.01 0.70 0.00 -2.82 2.36 -1.11 -4.88 119.74 112.99 2ka9 s LYS 133 Ca 0.00 0.04 0.01 0.00 -2.55 0.00 0.00 55.97 53.47 2ka9 s LYS 133 Cb 0.00 0.32 -0.01 0.00 -1.05 0.00 0.00 37.83 37.09 2ka9 s LYS 133 CO 0.00 -0.18 -0.04 0.42 1.55 0.00 0.00 175.35 177.10 2ka9 s ILE 134 N -0.99 0.31 0.82 5.43 1.01 -1.26 0.17 121.20 126.69 2ka9 s ILE 134 Ca -0.10 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 2ka9 s ILE 134 Cb -0.04 -0.29 0.12 0.00 0.01 0.00 0.00 42.46 42.26 2ka9 s ILE 134 CO 0.04 -0.00 1.16 -0.63 0.00 0.00 0.00 174.94 175.52 2ka9 s ILE 135 N -0.30 2.09 -0.09 2.92 1.01 -1.26 -5.01 121.20 120.55 2ka9 s ILE 135 Ca -0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 2ka9 s ILE 135 Cb -0.03 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2ka9 s ILE 135 CO -0.00 0.00 0.40 -1.61 0.00 0.00 0.00 174.94 173.73 2ka9 s GLU 136 N -5.55 4.18 -1.29 2.79 2.02 -1.26 -4.07 118.70 115.52 2ka9 s GLU 136 Ca 0.66 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.98 2ka9 s GLU 136 Cb -0.08 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.78 2ka9 s GLU 136 CO 0.49 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.52 2ka9 n GLY 137 N 2.85 0.38 3.91 -1.39 0.00 -1.26 -5.00 105.19 104.67 2ka9 n GLY 137 Ca -0.11 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.54 1.74 -0.02 -0.02 0.00 -1.26 -4.93 107.32 100.29 2ka9 s GLY 138 Ca 0.00 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 43.38 2ka9 s GLY 138 CO 0.00 -0.37 1.10 0.00 0.00 0.00 0.00 173.10 173.83 2ka9 h ALA 139 N -1.61 -0.27 -0.17 3.20 0.00 -1.83 -3.04 119.26 115.53 2ka9 h ALA 139 Ca -0.45 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 2ka9 h ALA 139 Cb 1.25 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2ka9 h ALA 139 CO 0.42 -0.41 -0.48 0.00 0.00 0.00 0.00 179.25 178.78 2ka9 h ALA 140 N -0.13 0.87 0.12 0.00 0.00 -1.74 -0.56 119.26 117.82 2ka9 h ALA 140 Ca -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2ka9 h ALA 140 Cb 0.51 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2ka9 h ALA 140 CO 0.05 0.66 -0.47 1.25 0.00 0.00 0.00 179.25 180.73 2ka9 h HIS 141 N 0.34 -1.35 -0.02 0.00 6.17 -1.77 1.57 115.15 120.08 2ka9 h HIS 141 Ca 0.02 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 2ka9 h HIS 141 Cb 0.97 0.57 0.00 0.00 2.52 0.00 0.00 27.41 31.47 2ka9 h HIS 141 CO 0.03 -0.56 -0.10 0.87 0.71 0.00 0.00 177.93 178.89 2ka9 h LYS 142 N -0.71 0.11 0.00 5.26 1.79 -1.56 -2.81 116.57 118.65 2ka9 h LYS 142 Ca 0.01 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2ka9 h LYS 142 Cb 0.72 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2ka9 h LYS 142 CO -0.27 0.73 -0.03 0.22 -1.08 0.00 0.00 179.45 179.02 2ka9 h ASP 143 N -0.49 0.00 -0.58 0.86 1.82 -1.05 -3.38 116.42 113.60 2ka9 h ASP 143 Ca -0.00 -0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.61 2ka9 h ASP 143 Cb 0.74 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.72 2ka9 h ASP 143 CO 0.02 0.54 0.38 1.23 -1.61 0.00 0.00 179.24 179.80 2ka9 h GLY 144 N -1.00 0.82 -0.65 -0.78 0.00 0.19 -3.43 103.07 98.22 2ka9 h GLY 144 Ca -0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 47.33 46.75 2ka9 h GLY 144 CO -0.00 0.28 -0.26 0.54 0.00 0.00 0.00 176.54 177.11 2ka9 n ARG 145 N -4.70 -1.32 -2.63 4.80 1.74 0.34 -4.80 116.66 110.09 2ka9 n ARG 145 Ca 0.04 0.97 -0.43 0.00 -0.77 0.00 0.00 57.85 57.66 2ka9 n ARG 145 Cb 0.03 -5.22 -0.01 0.00 -1.02 0.00 0.00 32.46 26.25 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 -3.13 3.93 0.65 0.55 2.34 -1.26 -4.99 118.68 116.78 2ka9 s LEU 146 Ca 0.00 -2.18 -0.17 0.00 0.06 0.00 0.00 54.13 51.85 2ka9 s LEU 146 Cb 0.00 -2.55 -0.00 0.00 -0.56 0.00 0.00 46.19 43.08 2ka9 s LEU 146 CO 0.00 -1.23 1.18 0.00 -1.06 0.00 0.00 176.35 175.25 2ka9 s GLN 147 N 4.10 2.66 -0.56 1.48 -2.07 -1.26 -4.79 119.66 119.23 2ka9 s GLN 147 Ca 0.49 1.69 -0.35 0.00 -1.82 0.00 0.00 55.36 55.37 2ka9 s GLN 147 Cb 0.02 -1.90 -0.15 0.00 -1.09 0.00 0.00 33.01 29.88 2ka9 s GLN 147 CO 0.01 -1.41 2.32 -0.89 -1.32 0.00 0.00 175.29 174.00 2ka9 n ILE 148 N -2.15 0.06 0.00 3.63 5.41 -1.26 -2.35 119.36 122.70 2ka9 n ILE 148 Ca 0.13 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.68 2ka9 n ILE 148 Cb 0.50 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 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 6.72 0.49 3.88 7.39 0.00 -1.25 -4.99 105.19 117.42 2ka9 n GLY 149 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 2ka9 n GLY 149 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ka9 s ASP 150 N 0.00 5.84 -0.06 1.61 -4.77 -0.99 -4.84 116.67 113.47 2ka9 s ASP 150 Ca 0.00 1.24 -0.02 0.00 -3.30 0.00 0.00 52.55 50.47 2ka9 s ASP 150 Cb 0.00 -2.18 0.04 0.00 -1.09 0.00 0.00 42.92 39.69 2ka9 s ASP 150 CO 0.00 -1.09 0.12 -1.59 0.70 0.00 0.00 175.17 173.31 2ka9 s LYS 151 N -5.24 0.05 -0.16 2.11 0.00 -1.26 -1.20 119.74 114.04 2ka9 s LYS 151 Ca 0.56 0.36 -0.07 0.00 0.00 0.00 0.00 55.97 56.81 2ka9 s LYS 151 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 37.83 37.46 2ka9 s LYS 151 CO 0.52 -0.19 0.09 0.96 0.00 0.00 0.00 175.35 176.73 2ka9 s ILE 152 N 1.34 5.07 -2.10 3.79 -5.25 0.33 -0.29 121.20 124.09 2ka9 s ILE 152 Ca -0.07 0.06 0.22 0.00 -0.99 0.00 0.00 60.65 59.87 2ka9 s ILE 152 Cb -0.12 -3.26 0.02 0.00 2.95 0.00 0.00 42.46 42.04 2ka9 s ILE 152 CO -0.05 0.50 1.08 0.00 -1.79 0.00 0.00 174.94 174.69 2ka9 n LEU 153 N 3.05 2.12 0.00 0.37 -0.00 0.34 -3.10 117.00 119.79 2ka9 n LEU 153 Ca -0.17 -0.79 0.00 0.00 -0.00 0.00 0.00 56.01 55.04 2ka9 n LEU 153 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2ka9 n LEU 153 CO 0.34 0.39 0.00 0.00 -0.00 0.00 0.00 177.39 178.12 2ka9 n ALA 154 N 0.15 0.00 -3.19 1.47 0.00 -1.22 -4.26 120.51 113.46 2ka9 n ALA 154 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.08 2ka9 n ALA 154 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.19 4.98 0.00 0.00 1.01 -1.24 0.99 120.40 124.94 2ka9 s VAL 155 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.77 2ka9 s VAL 155 Cb 0.00 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2ka9 s VAL 155 CO 0.00 -1.03 0.00 0.59 0.00 0.00 0.00 175.10 174.66 2ka9 n ASN 156 N 5.90 0.00 -0.67 3.32 3.02 0.12 -1.58 115.26 125.37 2ka9 n ASN 156 Ca -0.11 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.41 2ka9 n ASN 156 Cb 0.42 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 2ka9 n ASN 156 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2ka9 n SER 157 N 1.78 -0.42 -4.91 6.41 2.88 -1.26 -4.99 113.62 113.11 2ka9 n SER 157 Ca 0.00 -1.27 -0.28 0.00 -1.33 0.00 0.00 58.87 55.99 2ka9 n SER 157 Cb 0.00 0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ka9 s VAL 158 N 0.00 5.03 -1.05 2.46 1.01 -0.61 -5.03 120.40 122.21 2ka9 s VAL 158 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 2ka9 s VAL 158 Cb 0.00 -3.76 0.29 0.00 0.00 0.00 0.00 36.38 32.91 2ka9 s VAL 158 CO 0.00 -0.38 1.30 0.61 0.00 0.00 0.00 175.10 176.63 2ka9 n GLY 159 N -1.13 4.85 0.52 4.51 0.00 -1.26 -3.61 105.19 109.07 2ka9 n GLY 159 Ca -0.02 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.35 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 1.69 0.54 -2.71 0.99 4.77 -1.26 -3.04 117.00 117.99 2ka9 n LEU 160 Ca 0.25 -0.27 -0.07 0.00 -0.03 0.00 0.00 56.01 55.89 2ka9 n LEU 160 Cb 0.35 -0.25 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 2ka9 n LEU 160 CO 0.62 0.13 0.46 -1.84 -1.33 0.00 0.00 177.39 175.43 2ka9 n GLU 161 N 0.27 0.89 -0.95 3.23 0.28 -1.26 -4.32 120.64 118.78 2ka9 n GLU 161 Ca 0.00 -1.64 -0.05 0.00 -0.16 0.00 0.00 57.16 55.30 2ka9 n GLU 161 Cb 0.13 -0.56 -0.05 0.00 1.43 0.00 0.00 31.44 32.39 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 0.05 -0.73 0.00 -1.84 2.03 -1.17 -4.98 116.55 109.91 2ka9 n ASP 162 Ca -0.01 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.45 2ka9 n ASP 162 Cb 0.75 0.22 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 0.03 0.00 0.00 5.18 0.31 -1.26 -5.10 118.33 117.48 2ka9 n VAL 163 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2ka9 n VAL 163 Cb 0.70 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.63 2ka9 n VAL 163 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2ka9 n MET 164 N -1.75 0.00 -0.05 5.55 2.81 -1.26 -4.54 117.12 117.88 2ka9 n MET 164 Ca 0.00 0.00 0.22 0.00 -1.81 0.00 0.00 57.70 56.11 2ka9 n MET 164 Cb 0.00 0.00 0.70 0.00 -0.71 0.00 0.00 33.22 33.21 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 -0.06 2.03 2.07 -1.29 0.15 115.15 118.05 2ka9 h HIS 165 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 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 -0.34 1.49 -3.07 0.00 0.00 177.93 176.01 2ka9 h GLU 166 N 0.00 0.34 -0.12 5.12 4.81 -1.86 -1.26 114.58 121.60 2ka9 h GLU 166 Ca 0.30 -0.29 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 2ka9 h GLU 166 Cb 1.19 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2ka9 h GLU 166 CO -0.00 0.93 -0.64 -0.44 -0.73 0.00 0.00 179.01 178.13 2ka9 h ASP 167 N -0.16 0.54 0.04 1.04 3.32 -1.63 -1.23 116.42 118.34 2ka9 h ASP 167 Ca -0.03 -0.32 -0.14 0.00 0.02 0.00 0.00 57.03 56.56 2ka9 h ASP 167 Cb 1.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2ka9 h ASP 167 CO 0.07 1.04 -0.47 0.00 -1.72 0.00 0.00 179.24 178.17 2ka9 h ALA 168 N 0.96 0.83 -0.23 3.45 0.00 -0.82 0.12 119.26 123.56 2ka9 h ALA 168 Ca -0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2ka9 h ALA 168 Cb 1.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ka9 h ALA 168 CO 0.11 0.66 -0.28 0.28 0.00 0.00 0.00 179.25 180.02 2ka9 h VAL 169 N 0.40 1.32 -0.01 0.00 2.07 -1.10 -0.99 116.25 117.94 2ka9 h VAL 169 Ca 0.02 -1.47 -0.12 0.00 0.82 0.00 0.00 66.70 65.96 2ka9 h VAL 169 Cb 0.97 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 2ka9 h VAL 169 CO 0.09 0.46 -0.56 0.00 0.02 0.00 0.00 177.57 177.58 2ka9 h ALA 170 N 0.66 1.06 0.00 1.67 0.00 -1.15 -2.17 119.26 119.32 2ka9 h ALA 170 Ca 0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 2ka9 h ALA 170 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2ka9 h ALA 170 CO 0.07 0.70 -0.47 0.00 0.00 0.00 0.00 179.25 179.54 2ka9 h ALA 171 N 1.42 0.78 0.24 0.00 0.00 -0.66 -0.99 119.26 120.05 2ka9 h ALA 171 Ca -0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 54.91 54.14 2ka9 h ALA 171 Cb 0.99 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.74 2ka9 h ALA 171 CO 0.07 0.59 -1.54 1.37 0.00 0.00 0.00 179.25 179.74 2ka9 h LEU 172 N 0.00 0.80 -0.53 0.00 8.10 -0.99 -3.26 115.31 119.44 2ka9 h LEU 172 Ca -0.00 -0.92 -0.11 0.00 0.11 0.00 0.00 57.88 56.96 2ka9 h LEU 172 Cb 1.21 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 41.15 2ka9 h LEU 172 CO 0.06 1.73 -0.51 0.07 -4.11 0.00 0.00 178.44 175.68 2ka9 h LYS 173 N 0.14 0.00 0.00 0.17 2.10 -1.44 -2.91 116.57 114.63 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 0.26 0.51 0.00 0.09 -2.00 0.00 0.00 179.45 178.31 2ka9 n ASN 174 N -3.44 0.08 -3.19 7.07 5.03 -0.38 -4.81 115.26 115.62 2ka9 n ASN 174 Ca 0.00 0.52 -0.11 0.00 0.87 0.00 0.00 54.58 55.86 2ka9 n ASN 174 Cb 0.64 -0.54 0.11 0.00 -1.02 0.00 0.00 39.78 38.97 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 -1.59 0.00 -3.29 3.41 -2.24 -1.10 -5.02 114.28 104.45 2ka9 n THR 175 Ca 0.04 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 2ka9 n THR 175 Cb 0.19 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.40 2.83 0.63 4.78 5.04 -1.26 -4.98 117.35 122.98 2ka9 s TYR 176 Ca 0.24 -0.39 0.28 0.00 -2.44 0.00 0.00 57.07 54.76 2ka9 s TYR 176 Cb -0.04 -2.23 1.47 0.00 0.35 0.00 0.00 41.96 41.51 2ka9 s TYR 176 CO 0.20 -0.24 1.86 0.22 -1.34 0.00 0.00 175.55 176.26 2ka9 h ASP 177 N 0.83 0.00 -2.22 4.32 1.82 -1.92 -3.31 116.42 115.95 2ka9 h ASP 177 Ca -0.42 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 55.80 2ka9 h ASP 177 Cb 1.27 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 40.94 2ka9 h ASP 177 CO 0.50 0.00 -0.73 0.54 -1.61 0.00 0.00 179.24 177.95 2ka9 s VAL 178 N -4.36 -0.21 0.10 2.25 0.11 -1.26 0.03 120.40 117.06 2ka9 s VAL 178 Ca -0.04 -1.05 0.10 0.00 -2.93 0.00 0.00 61.98 58.07 2ka9 s VAL 178 Cb 0.12 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2ka9 s VAL 178 CO 0.40 -0.68 -0.26 0.68 -3.33 0.00 0.00 175.10 171.92 2ka9 s VAL 179 N 1.58 2.31 -0.27 2.04 -7.23 -0.75 -4.97 120.40 113.11 2ka9 s VAL 179 Ca 0.15 -1.62 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 2ka9 s VAL 179 Cb -0.17 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2ka9 s VAL 179 CO -0.11 0.17 0.28 -0.31 -0.31 0.00 0.00 175.10 174.81 2ka9 s TYR 180 N -1.00 3.24 -0.01 2.82 1.51 -1.26 -0.09 117.35 122.56 2ka9 s TYR 180 Ca 0.14 0.27 -0.06 0.00 -1.01 0.00 0.00 57.07 56.41 2ka9 s TYR 180 Cb -0.10 -2.46 -0.05 0.00 -0.11 0.00 0.00 41.96 39.24 2ka9 s TYR 180 CO 0.05 -0.17 0.24 -0.51 -1.11 0.00 0.00 175.55 174.06 2ka9 s LEU 181 N 1.84 4.38 -0.43 -1.29 1.02 0.33 0.16 118.68 124.68 2ka9 s LEU 181 Ca 0.11 0.53 -0.18 0.00 0.02 0.00 0.00 54.13 54.61 2ka9 s LEU 181 Cb -0.16 -2.58 0.03 0.00 0.02 0.00 0.00 46.19 43.50 2ka9 s LEU 181 CO 0.10 0.28 0.47 -0.75 0.02 0.00 0.00 176.35 176.47 2ka9 s LYS 182 N -1.67 3.11 0.28 1.70 2.47 0.28 -0.73 119.74 125.17 2ka9 s LYS 182 Ca 0.26 -0.77 0.06 0.00 -1.56 0.00 0.00 55.97 53.96 2ka9 s LYS 182 Cb -0.13 -3.99 -0.02 0.00 -1.46 0.00 0.00 37.83 32.23 2ka9 s LYS 182 CO 0.15 -0.91 0.36 0.08 0.16 0.00 0.00 175.35 175.19 2ka9 s VAL 183 N 2.22 4.66 -0.01 4.02 1.01 -0.58 -0.50 120.40 131.21 2ka9 s VAL 183 Ca 0.13 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2ka9 s VAL 183 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2ka9 s VAL 183 CO 0.14 -0.27 0.06 0.00 0.00 0.00 0.00 175.10 175.02 2ka9 s ALA 184 N -2.09 -0.14 0.20 5.51 0.00 0.61 0.12 121.76 125.98 2ka9 s ALA 184 Ca 0.38 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 2ka9 s ALA 184 Cb -0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.91 2ka9 s ALA 184 CO 0.29 -0.07 0.61 0.15 0.00 0.00 0.00 175.76 176.74 2ka9 s LYS 185 N -0.37 4.02 -0.32 0.00 3.01 0.14 -4.16 119.74 122.06 2ka9 s LYS 185 Ca -0.04 0.57 -0.29 0.00 -1.01 0.00 0.00 55.97 55.19 2ka9 s LYS 185 Cb -0.03 -2.81 -0.07 0.00 -1.01 0.00 0.00 37.83 33.91 2ka9 s LYS 185 CO 0.00 0.39 2.27 -0.35 0.51 0.00 0.00 175.35 178.17 2ka9 n PRO 186 N 0.49 1.53 -1.24 -1.68 -0.04 -1.26 -3.91 135.00 128.89 2ka9 n PRO 186 Ca -0.03 0.36 -0.36 0.00 -0.04 0.00 0.00 63.50 63.44 2ka9 n PRO 186 Cb 0.52 -3.05 0.08 0.00 -0.04 0.00 0.00 33.50 31.01 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ka9 n SER 187 N 12.03 -0.72 -2.53 3.54 7.64 -1.26 -1.90 113.62 130.42 2ka9 n SER 187 Ca 0.35 0.59 -0.12 0.00 1.01 0.00 0.00 58.87 60.71 2ka9 n SER 187 Cb 0.40 -1.28 -0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2ka9 n SER 187 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2ka9 n ASN 188 N -0.87 -3.50 0.00 6.43 4.13 -1.26 -4.68 115.26 115.51 2ka9 n ASN 188 Ca 0.11 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.55 2ka9 n ASN 188 Cb 0.50 -2.99 0.00 0.00 -1.54 0.00 0.00 39.78 35.75 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54