#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 0.39 0.22 2.12 2.02 0.12 -4.78 118.70 118.79 2ka9 s GLU 2 Ca 0.00 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.61 2ka9 s GLU 2 Cb 0.00 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 2ka9 s GLU 2 CO 0.00 -0.08 -0.08 0.71 0.02 0.00 0.00 175.26 175.83 2ka9 s TYR 3 N -1.31 1.67 -0.17 1.61 2.02 -1.26 -0.46 117.35 119.44 2ka9 s TYR 3 Ca -0.14 -0.72 -0.35 0.00 -0.37 0.00 0.00 57.07 55.49 2ka9 s TYR 3 Cb -0.08 -0.89 0.14 0.00 -0.40 0.00 0.00 41.96 40.73 2ka9 s TYR 3 CO 0.01 0.19 1.24 -2.00 -1.57 0.00 0.00 175.55 173.42 2ka9 s GLU 4 N -3.74 0.29 0.53 -0.62 2.56 -0.92 -4.99 118.70 111.81 2ka9 s GLU 4 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 54.97 55.07 2ka9 s GLU 4 Cb 0.03 0.13 0.01 0.00 2.00 0.00 0.00 34.13 36.29 2ka9 s GLU 4 CO 0.08 -0.13 0.80 -2.00 -0.56 0.00 0.00 175.26 173.45 2ka9 s GLU 5 N -2.38 2.92 0.15 4.30 2.12 -1.26 -1.06 118.70 123.47 2ka9 s GLU 5 Ca 0.10 -0.29 -0.25 0.00 0.36 0.00 0.00 54.97 54.90 2ka9 s GLU 5 Cb -0.00 -2.41 0.06 0.00 0.26 0.00 0.00 34.13 32.05 2ka9 s GLU 5 CO -0.04 -0.55 0.85 -1.50 -0.54 0.00 0.00 175.26 173.48 2ka9 s ILE 6 N -2.80 0.00 -0.01 -3.70 2.07 0.56 -4.89 121.20 112.43 2ka9 s ILE 6 Ca 0.52 -0.50 0.02 0.00 -1.41 0.00 0.00 60.65 59.28 2ka9 s ILE 6 Cb -0.10 -1.65 -0.00 0.00 0.13 0.00 0.00 42.46 40.83 2ka9 s ILE 6 CO 0.41 0.00 -0.08 0.42 -1.91 0.00 0.00 174.94 173.79 2ka9 s THR 7 N -3.45 0.63 -0.41 4.00 -4.23 -1.26 -0.87 115.64 110.05 2ka9 s THR 7 Ca 0.09 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2ka9 s THR 7 Cb -0.02 -0.54 0.15 0.00 1.34 0.00 0.00 72.50 73.43 2ka9 s THR 7 CO -0.01 0.19 0.27 -0.22 -0.54 0.00 0.00 174.62 174.30 2ka9 s LEU 8 N -0.08 1.82 0.57 4.79 2.96 0.13 -4.86 118.68 124.02 2ka9 s LEU 8 Ca 0.02 -2.65 -0.15 0.00 -0.22 0.00 0.00 54.13 51.12 2ka9 s LEU 8 Cb -0.04 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 45.93 2ka9 s LEU 8 CO -0.00 -0.25 1.03 -1.83 -1.32 0.00 0.00 176.35 173.98 2ka9 s GLU 9 N 0.44 3.53 -0.96 1.98 4.04 -1.26 -2.39 118.70 124.09 2ka9 s GLU 9 Ca 0.22 1.08 -0.25 0.00 0.04 0.00 0.00 54.97 56.06 2ka9 s GLU 9 Cb -0.15 -2.07 -0.10 0.00 0.02 0.00 0.00 34.13 31.83 2ka9 s GLU 9 CO -0.06 -0.63 2.08 1.03 -1.84 0.00 0.00 175.26 175.84 2ka9 s ARG 10 N -4.19 2.13 0.59 -4.83 0.52 0.28 -4.50 118.95 108.95 2ka9 s ARG 10 Ca 0.61 -0.31 0.29 0.00 -0.52 0.00 0.00 55.73 55.80 2ka9 s ARG 10 Cb -0.13 -5.02 1.43 0.00 0.52 0.00 0.00 34.95 31.74 2ka9 s ARG 10 CO 0.37 -4.04 1.83 0.78 0.02 0.00 0.00 175.30 174.26 2ka9 h GLY 11 N 19.56 0.00 0.00 -3.53 0.00 -1.87 -3.44 103.07 113.79 2ka9 h GLY 11 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2ka9 h GLY 11 CO 1.14 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.84 2ka9 n ASN 12 N -3.69 0.00 -1.54 0.19 0.23 -1.26 -4.94 115.26 104.25 2ka9 n ASN 12 Ca 0.11 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.04 2ka9 n ASN 12 Cb 0.79 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.67 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2ka9 n SER 13 N 0.00 3.11 0.00 0.53 7.64 -1.26 -5.04 113.62 118.60 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka9 n GLY 14 N -1.11 -0.90 0.13 0.23 0.00 -1.26 -4.97 105.19 97.31 2ka9 n GLY 14 Ca 0.42 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 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 0.49 -1.80 0.99 4.07 -1.92 -3.28 115.31 113.87 2ka9 h LEU 15 Ca 0.00 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 57.06 2ka9 h LEU 15 Cb 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.58 2ka9 h LEU 15 CO 0.00 1.63 0.00 0.61 -1.08 0.00 0.00 178.44 179.60 2ka9 n GLY 16 N 1.75 0.55 3.63 0.83 0.00 -1.26 -0.48 105.19 110.21 2ka9 n GLY 16 Ca -0.22 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 2ka9 n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 17 N -2.60 -0.73 -0.10 1.61 -0.12 -1.26 -2.93 117.98 111.85 2ka9 s PHE 17 Ca 0.00 1.77 -0.18 0.00 -0.05 0.00 0.00 56.93 58.47 2ka9 s PHE 17 Cb 0.00 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 2ka9 s PHE 17 CO 0.00 -0.35 0.48 -1.12 -0.05 0.00 0.00 175.22 174.18 2ka9 s SER 18 N 0.40 6.71 0.19 1.98 0.01 0.29 -4.99 113.70 118.29 2ka9 s SER 18 Ca 0.00 0.84 0.03 0.00 1.31 0.00 0.00 55.95 58.14 2ka9 s SER 18 Cb -0.05 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 2ka9 s SER 18 CO -0.01 0.03 -0.03 0.27 0.41 0.00 0.00 173.24 173.91 2ka9 s ILE 19 N 0.46 0.95 -0.07 1.44 -4.36 -1.26 0.11 121.20 118.46 2ka9 s ILE 19 Ca 0.26 -2.02 -0.32 0.00 -0.26 0.00 0.00 60.65 58.31 2ka9 s ILE 19 Cb -0.15 -2.12 0.12 0.00 1.25 0.00 0.00 42.46 41.55 2ka9 s ILE 19 CO 0.11 -0.50 1.15 0.00 0.24 0.00 0.00 174.94 175.94 2ka9 s ALA 20 N -3.48 -2.03 0.00 2.27 0.00 -1.24 -4.90 121.76 112.38 2ka9 s ALA 20 Ca 0.23 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2ka9 s ALA 20 Cb 0.05 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.37 2ka9 s ALA 20 CO 0.05 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2ka9 n GLY 21 N -0.27 0.89 0.00 0.00 0.00 -1.26 -4.01 105.19 100.53 2ka9 n GLY 21 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 2.75 0.34 -0.02 0.00 -1.23 -4.16 105.19 102.88 2ka9 n GLY 22 Ca 0.00 -1.58 0.18 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 0.10 0.05 2.61 1.03 -0.52 -2.00 112.91 114.19 2ka9 h THR 23 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.05 2ka9 h THR 23 Cb 0.00 0.81 -0.04 0.00 -1.07 0.00 0.00 68.15 67.85 2ka9 h THR 23 CO 0.00 0.00 -1.99 -0.67 -0.01 0.00 0.00 175.52 172.85 2ka9 n ASP 24 N -3.15 2.01 -3.74 0.00 -0.08 -1.26 -4.72 116.55 105.61 2ka9 n ASP 24 Ca -0.01 0.21 -0.28 0.00 -1.51 0.00 0.00 54.79 53.20 2ka9 n ASP 24 Cb 0.27 -0.79 -0.11 0.00 2.34 0.00 0.00 41.12 42.83 2ka9 n ASP 24 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2ka9 n ASN 25 N -3.78 2.48 -4.49 1.67 2.85 -0.84 -5.10 115.26 108.04 2ka9 n ASN 25 Ca -0.38 -3.09 -0.44 0.00 -0.11 0.00 0.00 54.58 50.55 2ka9 n ASN 25 Cb 0.92 -0.71 -0.01 0.00 1.24 0.00 0.00 39.78 41.22 2ka9 n ASN 25 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2ka9 n PRO 26 N 1.94 0.75 0.24 1.20 -0.02 -0.81 -3.46 135.00 134.82 2ka9 n PRO 26 Ca 0.23 0.26 0.15 0.00 -2.02 0.00 0.00 63.50 62.12 2ka9 n PRO 26 Cb 0.38 -1.52 0.44 0.00 -0.02 0.00 0.00 33.50 32.78 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 1.31 0.00 0.00 6.00 -0.00 -1.78 -3.28 115.15 117.39 2ka9 h HIS 27 Ca -0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.89 2ka9 h HIS 27 Cb 1.39 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.77 2ka9 h HIS 27 CO 0.42 0.00 -1.52 0.44 -0.00 0.00 0.00 177.93 177.27 2ka9 n ILE 28 N -3.00 0.41 -0.46 6.26 -5.35 -1.26 -4.93 119.36 111.03 2ka9 n ILE 28 Ca 0.02 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2ka9 n ILE 28 Cb 0.40 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 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 1.52 1.10 3.28 0.00 -1.24 -4.95 105.19 107.26 2ka9 n GLY 29 Ca -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 0.49 -0.50 -3.19 1.61 8.00 -1.26 -5.06 116.55 116.64 2ka9 n ASP 30 Ca 0.00 -1.08 0.04 0.00 0.71 0.00 0.00 54.79 54.47 2ka9 n ASP 30 Cb 0.11 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ka9 s ASP 31 N -0.46 -0.63 0.43 -2.24 2.15 -1.26 -5.03 116.67 109.62 2ka9 s ASP 31 Ca 0.01 0.47 0.16 0.00 0.43 0.00 0.00 52.55 53.62 2ka9 s ASP 31 Cb 0.06 1.56 0.95 0.00 -0.30 0.00 0.00 42.92 45.19 2ka9 s ASP 31 CO -0.02 -0.12 1.93 -0.65 -0.17 0.00 0.00 175.17 176.15 2ka9 h PRO 32 N 7.91 0.00 -7.17 4.34 0.11 -1.85 -3.41 132.00 131.92 2ka9 h PRO 32 Ca -0.16 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.52 2ka9 h PRO 32 Cb 1.16 0.00 0.21 0.00 0.11 0.00 0.00 31.00 32.48 2ka9 h PRO 32 CO -0.00 0.25 0.03 -1.12 -0.21 0.00 0.00 178.00 176.95 2ka9 s SER 33 N -6.82 1.10 0.10 -2.05 0.01 -1.26 -1.31 113.70 103.46 2ka9 s SER 33 Ca -0.03 1.46 0.09 0.00 1.31 0.00 0.00 55.95 58.77 2ka9 s SER 33 Cb 0.15 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2ka9 s SER 33 CO 0.69 -4.12 -0.19 -0.63 0.41 0.00 0.00 173.24 169.40 2ka9 s ILE 34 N -2.52 2.78 -0.02 1.44 1.09 -1.26 -4.33 121.20 118.38 2ka9 s ILE 34 Ca 0.68 -1.47 -0.04 0.00 -1.10 0.00 0.00 60.65 58.72 2ka9 s ILE 34 Cb -0.24 -2.25 0.00 0.00 -1.06 0.00 0.00 42.46 38.91 2ka9 s ILE 34 CO 0.64 0.14 0.09 0.72 -0.10 0.00 0.00 174.94 176.43 2ka9 s PHE 35 N -1.10 0.00 0.44 3.97 -0.71 -1.26 -3.60 117.98 115.73 2ka9 s PHE 35 Ca 0.17 0.01 -0.23 0.00 -1.04 0.00 0.00 56.93 55.84 2ka9 s PHE 35 Cb -0.10 -0.03 -0.08 0.00 -1.21 0.00 0.00 43.02 41.60 2ka9 s PHE 35 CO 0.09 -0.15 1.10 0.42 -1.34 0.00 0.00 175.22 175.34 2ka9 s ILE 36 N -0.64 3.45 -0.21 -4.49 1.01 0.34 -3.68 121.20 116.98 2ka9 s ILE 36 Ca -0.07 1.06 0.12 0.00 0.00 0.00 0.00 60.65 61.76 2ka9 s ILE 36 Cb -0.04 -3.52 -0.21 0.00 0.01 0.00 0.00 42.46 38.69 2ka9 s ILE 36 CO 0.00 -0.04 -0.02 0.41 0.00 0.00 0.00 174.94 175.29 2ka9 n THR 37 N -0.43 1.34 -3.56 2.92 -1.04 0.30 -2.05 114.28 111.76 2ka9 n THR 37 Ca 0.07 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.05 61.26 2ka9 n THR 37 Cb 0.49 -0.77 -0.04 0.00 -1.82 0.00 0.00 70.33 68.19 2ka9 n THR 37 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ka9 s LYS 38 N -2.47 0.62 -0.02 -2.82 2.36 -1.22 -4.85 119.74 111.34 2ka9 s LYS 38 Ca -0.17 0.04 0.06 0.00 -2.55 0.00 0.00 55.97 53.34 2ka9 s LYS 38 Cb 0.07 0.29 -0.03 0.00 -1.05 0.00 0.00 37.83 37.11 2ka9 s LYS 38 CO 0.71 -0.22 -0.19 0.42 1.55 0.00 0.00 175.35 177.63 2ka9 s ILE 39 N -1.60 2.70 0.04 5.43 1.01 -1.26 0.10 121.20 127.62 2ka9 s ILE 39 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 2ka9 s ILE 39 Cb -0.01 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 2ka9 s ILE 39 CO -0.01 0.53 0.44 0.27 0.00 0.00 0.00 174.94 176.16 2ka9 s ILE 40 N -0.74 4.99 -1.26 2.92 -4.36 -1.15 -4.98 121.20 116.61 2ka9 s ILE 40 Ca 0.12 0.80 -0.09 0.00 -0.26 0.00 0.00 60.65 61.22 2ka9 s ILE 40 Cb -0.10 -3.72 -0.07 0.00 1.25 0.00 0.00 42.46 39.82 2ka9 s ILE 40 CO 0.01 0.49 2.48 -0.81 0.24 0.00 0.00 174.94 177.35 2ka9 n PRO 41 N 1.53 2.82 0.00 0.37 -0.04 -1.26 -3.44 135.00 134.97 2ka9 n PRO 41 Ca -0.12 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 2ka9 n PRO 41 Cb 0.52 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.77 -0.03 3.53 0.55 0.00 -1.26 -5.14 105.19 106.61 2ka9 n GLY 42 Ca 0.61 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 2ka9 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ka9 s GLY 43 N -1.42 1.54 0.26 -0.02 0.00 -1.22 -4.91 107.32 101.54 2ka9 s GLY 43 Ca 0.00 -0.73 0.25 0.00 0.00 0.00 0.00 44.72 44.25 2ka9 s GLY 43 CO 0.00 0.12 1.75 0.00 0.00 0.00 0.00 173.10 174.97 2ka9 h ALA 44 N -2.66 1.00 0.39 3.20 0.00 -0.91 -3.30 119.26 116.98 2ka9 h ALA 44 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ka9 h ALA 44 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2ka9 h ALA 44 CO 0.39 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 179.25 2ka9 h ALA 45 N 2.38 -0.86 0.00 0.00 0.00 -1.26 0.74 119.26 120.25 2ka9 h ALA 45 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2ka9 h ALA 45 Cb 0.62 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2ka9 h ALA 45 CO 0.00 -1.02 -0.21 0.00 0.00 0.00 0.00 179.25 178.02 2ka9 h ALA 46 N -0.42 1.52 -0.14 0.00 0.00 -1.82 0.81 119.26 119.20 2ka9 h ALA 46 Ca -0.03 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2ka9 h ALA 46 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2ka9 h ALA 46 CO -0.07 0.26 -0.61 0.37 0.00 0.00 0.00 179.25 179.20 2ka9 h GLN 47 N 0.00 0.49 0.00 0.00 4.15 -1.45 -3.00 115.11 115.31 2ka9 h GLN 47 Ca -0.00 -0.34 -0.13 0.00 0.77 0.00 0.00 58.65 58.95 2ka9 h GLN 47 Cb 0.40 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2ka9 h GLN 47 CO 0.03 0.95 -0.94 -0.44 -1.93 0.00 0.00 178.83 176.49 2ka9 h ASP 48 N 0.37 0.00 -2.30 -0.69 3.32 0.13 -3.49 116.42 113.76 2ka9 h ASP 48 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2ka9 h ASP 48 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2ka9 h ASP 48 CO 0.11 0.54 0.00 0.61 -1.72 0.00 0.00 179.24 178.78 2ka9 n GLY 49 N 1.30 0.73 1.89 2.75 0.00 0.27 -4.90 105.19 107.25 2ka9 n GLY 49 Ca -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.15 0.66 0.00 1.61 5.12 -0.81 -4.92 116.66 117.16 2ka9 n ARG 50 Ca 0.00 -0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 2ka9 n ARG 50 Cb 0.44 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 2ka9 n ARG 50 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2ka9 n LEU 51 N 2.04 0.00 -4.76 0.55 -0.00 -1.26 -4.49 117.00 109.07 2ka9 n LEU 51 Ca 0.06 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.69 2ka9 n LEU 51 Cb 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.75 2ka9 n LEU 51 CO 0.05 0.00 0.97 -0.60 -0.00 0.00 0.00 177.39 177.82 2ka9 s ARG 52 N 0.00 3.64 0.17 1.47 6.06 -1.26 -4.93 118.95 124.10 2ka9 s ARG 52 Ca 0.00 2.18 -0.06 0.00 -2.50 0.00 0.00 55.73 55.35 2ka9 s ARG 52 Cb 0.00 -2.54 0.06 0.00 0.06 0.00 0.00 34.95 32.53 2ka9 s ARG 52 CO 0.00 -0.77 1.50 -0.39 -2.50 0.00 0.00 175.30 173.14 2ka9 h VAL 53 N 2.06 1.30 0.00 7.11 -1.51 -1.79 -3.02 116.25 120.39 2ka9 h VAL 53 Ca -0.50 -1.69 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 2ka9 h VAL 53 Cb 1.27 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 32.05 2ka9 h VAL 53 CO 0.60 0.54 0.18 0.59 -1.23 0.00 0.00 177.57 178.25 2ka9 n ASN 54 N -4.00 0.34 -4.53 4.19 3.02 -0.87 0.13 115.26 113.54 2ka9 n ASN 54 Ca -0.03 0.58 -0.31 0.00 -0.03 0.00 0.00 54.58 54.79 2ka9 n ASN 54 Cb 0.58 -0.58 0.18 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.99 -0.98 -4.02 6.41 5.75 -1.14 -4.62 116.55 115.96 2ka9 n ASP 55 Ca -0.01 0.21 -0.31 0.00 -0.01 0.00 0.00 54.79 54.66 2ka9 n ASP 55 Cb 0.20 -1.31 -0.15 0.00 -1.03 0.00 0.00 41.12 38.82 2ka9 n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2ka9 s SER 56 N -2.36 4.16 -0.66 -1.12 1.04 -0.46 -3.46 113.70 110.84 2ka9 s SER 56 Ca 0.64 -1.28 -0.26 0.00 0.48 0.00 0.00 55.95 55.53 2ka9 s SER 56 Cb -0.22 -1.41 -0.12 0.00 0.10 0.00 0.00 66.02 64.38 2ka9 s SER 56 CO 0.63 -0.20 2.42 2.30 0.98 0.00 0.00 173.24 179.37 2ka9 n ILE 57 N 4.53 -0.04 0.12 -1.02 -5.35 -1.24 -0.94 119.36 115.42 2ka9 n ILE 57 Ca -0.14 -0.63 0.02 0.00 -0.27 0.00 0.00 62.75 61.73 2ka9 n ILE 57 Cb 0.43 -2.29 0.37 0.00 -1.74 0.00 0.00 39.64 36.41 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 20.77 0.21 -8.33 7.28 3.38 0.16 -3.38 115.31 135.41 2ka9 h LEU 58 Ca -0.11 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 2ka9 h LEU 58 Cb 1.13 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 2ka9 h LEU 58 CO 1.10 0.42 -0.36 -0.36 0.09 0.00 0.00 178.44 179.32 2ka9 s PHE 59 N -4.61 0.67 0.28 1.13 0.08 0.17 -3.47 117.98 112.23 2ka9 s PHE 59 Ca -0.05 -0.98 -0.00 0.00 0.12 0.00 0.00 56.93 56.02 2ka9 s PHE 59 Cb 0.15 -0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.44 2ka9 s PHE 59 CO 0.74 -0.78 0.37 0.28 -0.10 0.00 0.00 175.22 175.73 2ka9 n VAL 60 N -0.29 0.00 -1.44 -0.44 0.31 -0.67 -0.70 118.33 115.09 2ka9 n VAL 60 Ca -0.02 -1.54 -0.11 0.00 -0.01 0.00 0.00 64.34 62.65 2ka9 n VAL 60 Cb 0.64 0.91 -0.09 0.00 -0.91 0.00 0.00 33.84 34.39 2ka9 n VAL 60 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2ka9 n ASN 61 N -1.75 0.45 -1.55 4.52 6.94 0.28 -1.64 115.26 122.50 2ka9 n ASN 61 Ca 0.01 -1.91 -0.15 0.00 -0.02 0.00 0.00 54.58 52.51 2ka9 n ASN 61 Cb 0.48 -1.38 -0.03 0.00 -2.36 0.00 0.00 39.78 36.50 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2ka9 n GLU 62 N 7.24 -1.17 -5.06 -3.83 4.07 -1.26 -4.98 120.64 115.65 2ka9 n GLU 62 Ca 0.35 0.84 -0.29 0.00 -0.06 0.00 0.00 57.16 57.99 2ka9 n GLU 62 Cb 0.44 -5.12 -0.15 0.00 -0.06 0.00 0.00 31.44 26.55 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ka9 s VAL 63 N -2.70 1.96 -0.91 6.31 1.01 -0.65 -5.08 120.40 120.35 2ka9 s VAL 63 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 2ka9 s VAL 63 Cb 0.00 -1.65 0.25 0.00 0.00 0.00 0.00 36.38 34.98 2ka9 s VAL 63 CO 0.00 0.45 0.94 -0.90 0.00 0.00 0.00 175.10 175.59 2ka9 n ASP 64 N 2.20 4.66 -2.21 3.32 5.75 -1.26 -1.68 116.55 127.32 2ka9 n ASP 64 Ca -0.16 -3.24 -0.25 0.00 -0.01 0.00 0.00 54.79 51.13 2ka9 n ASP 64 Cb 0.52 -1.05 0.16 0.00 -1.03 0.00 0.00 41.12 39.72 2ka9 n ASP 64 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ka9 n VAL 65 N 1.87 3.21 0.32 2.12 0.24 -1.26 -4.51 118.33 120.32 2ka9 n VAL 65 Ca 0.24 -1.99 0.09 0.00 -2.04 0.00 0.00 64.34 60.64 2ka9 n VAL 65 Cb 0.37 -0.57 0.40 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.08 0.11 -2.67 7.34 1.85 -1.23 -3.93 116.66 117.05 2ka9 n ARG 66 Ca 0.59 0.44 -0.04 0.00 -1.00 0.00 0.00 57.85 57.83 2ka9 n ARG 66 Cb 1.53 -1.75 0.08 0.00 -1.05 0.00 0.00 32.46 31.27 2ka9 n ARG 66 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2ka9 n GLU 67 N -1.96 0.36 -5.07 2.89 1.02 -1.26 -4.34 120.64 112.28 2ka9 n GLU 67 Ca 0.01 -0.96 -0.32 0.00 -0.02 0.00 0.00 57.16 55.87 2ka9 n GLU 67 Cb 0.14 -0.24 -0.14 0.00 -0.02 0.00 0.00 31.44 31.17 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ka9 s VAL 68 N 0.08 2.53 1.11 2.62 -7.23 -1.25 -4.64 120.40 113.61 2ka9 s VAL 68 Ca 0.17 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.16 2ka9 s VAL 68 Cb 0.25 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 35.30 2ka9 s VAL 68 CO -0.13 0.55 -0.24 0.41 -0.31 0.00 0.00 175.10 175.38 2ka9 n THR 69 N 2.28 0.00 -0.17 5.32 -1.04 -1.26 -1.94 114.28 117.47 2ka9 n THR 69 Ca -0.17 -0.26 -0.02 0.00 -2.04 0.00 0.00 64.05 61.57 2ka9 n THR 69 Cb 0.52 -0.51 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 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 -1.92 -0.07 -0.54 -1.42 2.76 -1.86 -1.98 115.15 110.13 2ka9 h HIS 70 Ca -0.52 0.04 0.10 0.00 -2.20 0.00 0.00 60.37 57.80 2ka9 h HIS 70 Cb 1.37 0.11 -0.08 0.00 1.55 0.00 0.00 27.41 30.36 2ka9 h HIS 70 CO 0.13 -0.14 0.05 1.03 -1.30 0.00 0.00 177.93 177.69 2ka9 h SER 71 N 0.09 -0.14 -0.24 3.26 0.87 -1.96 0.15 113.55 115.59 2ka9 h SER 71 Ca 0.26 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2ka9 h SER 71 Cb 0.40 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2ka9 h SER 71 CO -0.45 -0.05 0.15 0.00 -0.53 0.00 0.00 176.83 175.95 2ka9 h ALA 72 N 1.46 1.80 -0.15 6.23 0.00 -1.67 0.37 119.26 127.30 2ka9 h ALA 72 Ca 0.28 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2ka9 h ALA 72 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ka9 h ALA 72 CO -0.42 0.18 -0.38 0.00 0.00 0.00 0.00 179.25 178.63 2ka9 h ALA 73 N 1.83 0.25 -0.36 0.00 0.00 -0.50 -1.23 119.26 119.26 2ka9 h ALA 73 Ca 0.09 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2ka9 h ALA 73 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2ka9 h ALA 73 CO -0.02 0.34 -0.06 0.28 0.00 0.00 0.00 179.25 179.79 2ka9 h VAL 74 N 0.16 1.23 -0.09 0.00 2.07 -0.02 -1.90 116.25 117.70 2ka9 h VAL 74 Ca -0.00 -0.96 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 2ka9 h VAL 74 Cb 0.99 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2ka9 h VAL 74 CO 0.08 0.32 -0.44 -0.08 0.02 0.00 0.00 177.57 177.48 2ka9 h GLU 75 N 0.55 0.21 -0.28 1.57 4.81 -0.19 0.33 114.58 121.58 2ka9 h GLU 75 Ca 0.11 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 2ka9 h GLU 75 Cb 0.44 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2ka9 h GLU 75 CO 0.02 0.61 -0.24 0.00 -0.73 0.00 0.00 179.01 178.68 2ka9 h ALA 76 N 1.37 0.41 0.00 2.92 0.00 -0.58 0.90 119.26 124.29 2ka9 h ALA 76 Ca 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2ka9 h ALA 76 Cb 0.85 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ka9 h ALA 76 CO 0.07 0.38 -0.54 1.37 0.00 0.00 0.00 179.25 180.53 2ka9 h LEU 77 N 0.40 0.00 -0.27 0.00 8.10 -1.26 -0.39 115.31 121.89 2ka9 h LEU 77 Ca 0.05 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.84 2ka9 h LEU 77 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.02 2ka9 h LEU 77 CO 0.06 0.54 -0.63 0.50 -4.11 0.00 0.00 178.44 174.80 2ka9 h LYS 78 N 0.00 0.82 -0.66 0.17 3.64 -0.15 -3.11 116.57 117.28 2ka9 h LYS 78 Ca -0.01 -0.57 -0.32 0.00 -1.27 0.00 0.00 60.65 58.48 2ka9 h LYS 78 Cb 1.24 0.09 -0.19 0.00 -0.41 0.00 0.00 32.23 32.95 2ka9 h LYS 78 CO 0.07 1.19 0.27 0.39 -2.27 0.00 0.00 179.45 179.10 2ka9 n GLU 79 N -3.97 2.21 0.09 1.90 1.02 0.29 -4.48 120.64 117.70 2ka9 n GLU 79 Ca -0.05 -3.09 -0.02 0.00 -0.02 0.00 0.00 57.16 53.97 2ka9 n GLU 79 Cb 0.67 -2.01 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.17 0.54 -0.02 0.62 0.00 -0.99 -3.48 119.26 117.09 2ka9 h ALA 80 Ca 0.40 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ka9 h ALA 80 Cb 2.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2ka9 h ALA 80 CO 0.72 0.97 0.00 0.41 0.00 0.00 0.00 179.25 181.35 2ka9 n GLY 81 N 1.31 0.37 0.00 0.00 0.00 -1.26 -3.92 105.19 101.68 2ka9 n GLY 81 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 6.22 1.10 -3.32 1.61 7.64 -1.26 -4.73 113.62 120.88 2ka9 n SER 82 Ca 0.00 -1.40 -0.12 0.00 1.01 0.00 0.00 58.87 58.36 2ka9 n SER 82 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 83 N -0.40 -0.51 0.15 0.44 1.01 -1.25 0.10 121.20 120.74 2ka9 s ILE 83 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 2ka9 s ILE 83 Cb 0.00 -0.58 -0.06 0.00 0.01 0.00 0.00 42.46 41.83 2ka9 s ILE 83 CO 0.00 -0.42 0.43 -0.69 0.00 0.00 0.00 174.94 174.26 2ka9 s VAL 84 N 1.68 5.07 -0.22 2.92 1.01 -1.00 -4.89 120.40 124.97 2ka9 s VAL 84 Ca 0.16 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 2ka9 s VAL 84 Cb -0.13 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2ka9 s VAL 84 CO -0.08 0.08 0.04 -0.60 0.00 0.00 0.00 175.10 174.54 2ka9 s ARG 85 N -2.48 0.72 0.11 2.72 3.52 -1.26 0.19 118.95 122.46 2ka9 s ARG 85 Ca 0.41 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.50 2ka9 s ARG 85 Cb -0.12 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.13 2ka9 s ARG 85 CO 0.22 -0.70 -0.13 -0.48 -0.81 0.00 0.00 175.30 173.39 2ka9 s LEU 86 N 1.80 2.38 -0.30 -0.88 2.34 -0.05 0.10 118.68 124.06 2ka9 s LEU 86 Ca 0.00 -0.77 -0.08 0.00 0.06 0.00 0.00 54.13 53.34 2ka9 s LEU 86 Cb -0.17 -0.50 0.00 0.00 -0.56 0.00 0.00 46.19 44.96 2ka9 s LEU 86 CO -0.11 -0.15 0.12 -0.47 -1.06 0.00 0.00 176.35 174.67 2ka9 s TYR 87 N -2.01 3.16 0.39 3.48 5.04 0.12 -0.33 117.35 127.20 2ka9 s TYR 87 Ca 0.06 -0.78 0.08 0.00 -2.44 0.00 0.00 57.07 53.98 2ka9 s TYR 87 Cb -0.06 -2.31 -0.01 0.00 0.35 0.00 0.00 41.96 39.93 2ka9 s TYR 87 CO 0.02 -0.52 0.41 0.14 -1.34 0.00 0.00 175.55 174.26 2ka9 s VAL 88 N 1.56 3.15 -0.23 3.14 -7.23 -0.23 0.84 120.40 121.40 2ka9 s VAL 88 Ca 0.04 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2ka9 s VAL 88 Cb -0.17 -3.10 0.06 0.00 0.56 0.00 0.00 36.38 33.73 2ka9 s VAL 88 CO 0.04 -0.07 -0.03 -0.32 -0.31 0.00 0.00 175.10 174.41 2ka9 s MET 89 N -4.15 1.45 0.08 4.82 1.75 -0.12 -2.16 119.30 120.96 2ka9 s MET 89 Ca 0.47 -0.92 0.10 0.00 -1.25 0.00 0.00 55.69 54.09 2ka9 s MET 89 Cb -0.06 -2.51 -0.03 0.00 2.84 0.00 0.00 34.83 35.06 2ka9 s MET 89 CO 0.29 -0.62 -0.26 -0.98 -0.65 0.00 0.00 175.02 172.80 2ka9 s ARG 90 N 1.46 1.61 -0.09 4.11 1.70 0.39 -1.35 118.95 126.78 2ka9 s ARG 90 Ca -0.04 -1.19 -0.15 0.00 -0.47 0.00 0.00 55.73 53.88 2ka9 s ARG 90 Cb -0.19 -1.90 -0.05 0.00 -0.57 0.00 0.00 34.95 32.25 2ka9 s ARG 90 CO -0.07 0.47 0.39 0.50 -1.08 0.00 0.00 175.30 175.52 2ka9 s ARG 91 N -1.55 4.15 -0.41 3.89 3.52 -1.26 0.14 118.95 127.42 2ka9 s ARG 91 Ca 0.12 0.32 0.05 0.00 -0.13 0.00 0.00 55.73 56.10 2ka9 s ARG 91 Cb -0.10 -3.35 0.19 0.00 -1.56 0.00 0.00 34.95 30.13 2ka9 s ARG 91 CO 0.04 0.38 0.42 1.63 -0.81 0.00 0.00 175.30 176.95 2ka9 n LYS 92 N 2.97 0.35 -2.62 5.12 4.76 -1.26 -4.81 118.16 122.67 2ka9 n LYS 92 Ca -0.11 -3.10 -0.43 0.00 -2.87 0.00 0.00 58.31 51.80 2ka9 n LYS 92 Cb 0.52 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.15 2ka9 n LYS 92 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2ka9 s PRO 93 N -0.21 3.81 0.00 1.97 0.04 -1.26 -4.15 135.00 135.20 2ka9 s PRO 93 Ca 0.33 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2ka9 s PRO 93 Cb 0.08 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2ka9 s PRO 93 CO -0.17 -1.24 0.00 -2.30 0.04 0.00 0.00 177.00 173.33 2ka9 n PRO 94 N 7.55 2.82 0.00 0.56 -0.02 -1.26 -5.06 135.00 139.59 2ka9 n PRO 94 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2ka9 n PRO 94 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ka9 n ALA 95 N -3.00 0.00 -1.67 3.55 0.00 -0.34 -4.73 120.51 114.32 2ka9 n ALA 95 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.96 2ka9 n ALA 95 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2ka9 n ALA 95 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ka9 n GLU 96 N 0.00 2.04 -3.66 0.00 2.13 -1.19 -4.52 120.64 115.44 2ka9 n GLU 96 Ca 0.00 0.74 -0.07 0.00 0.66 0.00 0.00 57.16 58.49 2ka9 n GLU 96 Cb 0.00 -2.53 -0.08 0.00 0.27 0.00 0.00 31.44 29.10 2ka9 n GLU 96 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2ka9 s LYS 97 N 2.14 0.38 -0.32 5.31 -0.14 -1.24 -4.94 119.74 120.93 2ka9 s LYS 97 Ca 0.85 1.11 -0.27 0.00 -1.36 0.00 0.00 55.97 56.30 2ka9 s LYS 97 Cb -0.72 0.42 0.01 0.00 -1.68 0.00 0.00 37.83 35.86 2ka9 s LYS 97 CO 0.45 -0.24 0.95 0.54 -0.76 0.00 0.00 175.35 176.29 2ka9 s VAL 98 N 2.62 4.63 0.35 3.17 0.11 -1.26 -0.55 120.40 129.47 2ka9 s VAL 98 Ca -0.03 1.48 0.07 0.00 -2.93 0.00 0.00 61.98 60.57 2ka9 s VAL 98 Cb -0.12 -4.30 -0.01 0.00 -1.53 0.00 0.00 36.38 30.42 2ka9 s VAL 98 CO -0.14 -0.38 0.45 -0.32 -3.33 0.00 0.00 175.10 171.38 2ka9 s MET 99 N 3.35 2.99 -0.22 1.54 1.75 0.21 -4.98 119.30 123.94 2ka9 s MET 99 Ca 0.40 -1.11 -0.04 0.00 -1.25 0.00 0.00 55.69 53.69 2ka9 s MET 99 Cb -0.13 -2.74 0.07 0.00 2.84 0.00 0.00 34.83 34.88 2ka9 s MET 99 CO 0.14 0.01 0.08 -1.21 -0.65 0.00 0.00 175.02 173.40 2ka9 s GLU 100 N -4.17 0.36 0.19 4.11 2.02 -1.26 -1.59 118.70 118.35 2ka9 s GLU 100 Ca 0.46 -0.41 0.08 0.00 0.02 0.00 0.00 54.97 55.13 2ka9 s GLU 100 Cb -0.09 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 2ka9 s GLU 100 CO 0.30 -0.78 -0.06 0.42 0.02 0.00 0.00 175.26 175.17 2ka9 s ILE 101 N 1.98 3.37 -0.18 -1.63 -1.09 -0.16 -4.97 121.20 118.52 2ka9 s ILE 101 Ca 0.04 -1.62 0.01 0.00 -2.23 0.00 0.00 60.65 56.84 2ka9 s ILE 101 Cb -0.16 -2.69 0.02 0.00 -1.58 0.00 0.00 42.46 38.05 2ka9 s ILE 101 CO -0.17 -0.14 -0.18 -0.75 -1.23 0.00 0.00 174.94 172.47 2ka9 s LYS 102 N -2.96 2.79 -0.19 2.79 2.20 -1.26 0.67 119.74 123.78 2ka9 s LYS 102 Ca 0.26 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2ka9 s LYS 102 Cb -0.09 -2.51 0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2ka9 s LYS 102 CO 0.17 -0.25 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.56 2ka9 s LEU 103 N 1.31 2.23 0.05 5.43 0.20 0.92 -4.72 118.68 124.11 2ka9 s LEU 103 Ca 0.04 -0.72 -0.09 0.00 0.69 0.00 0.00 54.13 54.04 2ka9 s LEU 103 Cb -0.14 -1.44 -0.05 0.00 -0.43 0.00 0.00 46.19 44.13 2ka9 s LEU 103 CO -0.12 -0.03 0.36 0.27 -0.29 0.00 0.00 176.35 176.54 2ka9 s ILE 104 N 1.30 5.15 0.44 6.68 -4.36 -1.26 -2.00 121.20 127.15 2ka9 s ILE 104 Ca 0.03 0.38 -0.24 0.00 -0.26 0.00 0.00 60.65 60.56 2ka9 s ILE 104 Cb -0.14 -3.62 -0.09 0.00 1.25 0.00 0.00 42.46 39.85 2ka9 s ILE 104 CO -0.12 0.32 1.18 1.17 0.24 0.00 0.00 174.94 177.74 2ka9 n LYS 105 N 1.01 1.67 -3.42 0.37 4.81 0.25 -4.83 118.16 118.02 2ka9 n LYS 105 Ca -0.09 0.60 -0.16 0.00 -0.87 0.00 0.00 58.31 57.79 2ka9 n LYS 105 Cb 0.52 -2.28 -0.04 0.00 0.02 0.00 0.00 35.03 33.25 2ka9 n LYS 105 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ka9 n GLY 106 N 0.95 3.67 0.24 3.14 0.00 0.31 -4.99 105.19 108.50 2ka9 n GLY 106 Ca 0.08 -2.10 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 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 0.78 -0.67 1.61 0.13 -1.98 -2.88 132.00 128.99 2ka9 h PRO 107 Ca -0.20 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2ka9 h PRO 107 Cb 0.70 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2ka9 h PRO 107 CO 0.32 1.14 0.00 1.17 -0.23 0.00 0.00 178.00 180.40 2ka9 n LYS 108 N -3.98 3.55 0.00 0.86 3.00 -1.26 -5.02 118.16 115.31 2ka9 n LYS 108 Ca -0.04 -2.21 0.00 0.00 -0.00 0.00 0.00 58.31 56.06 2ka9 n LYS 108 Cb 0.64 -1.95 0.00 0.00 0.00 0.00 0.00 35.03 33.72 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 0.60 0.86 0.09 3.14 0.00 -1.09 -4.32 105.19 104.47 2ka9 n GLY 109 Ca 0.20 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.71 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 110 N 0.00 0.00 -0.89 0.99 4.07 -1.88 0.89 115.31 118.49 2ka9 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ka9 h LEU 110 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 110 CO 0.00 0.73 0.00 0.61 -1.08 0.00 0.00 178.44 178.70 2ka9 n GLY 111 N 1.40 0.61 3.64 0.83 0.00 -1.26 -3.89 105.19 106.52 2ka9 n GLY 111 Ca -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.16 -0.06 -0.20 1.61 -0.71 -1.26 -3.98 117.98 111.21 2ka9 s PHE 112 Ca 0.00 0.12 -0.05 0.00 -1.04 0.00 0.00 56.93 55.96 2ka9 s PHE 112 Cb 0.00 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.28 2ka9 s PHE 112 CO 0.00 -0.06 -0.01 -1.12 -1.34 0.00 0.00 175.22 172.69 2ka9 s SER 113 N -0.94 4.73 0.07 1.98 0.01 0.29 -4.99 113.70 114.86 2ka9 s SER 113 Ca 0.08 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.13 2ka9 s SER 113 Cb -0.01 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 2ka9 s SER 113 CO -0.08 0.06 -0.07 0.27 0.41 0.00 0.00 173.24 173.83 2ka9 s ILE 114 N 1.03 0.64 -0.19 1.44 -4.36 -1.26 0.14 121.20 118.63 2ka9 s ILE 114 Ca 0.02 -1.55 -0.08 0.00 -0.26 0.00 0.00 60.65 58.77 2ka9 s ILE 114 Cb -0.14 -1.20 0.08 0.00 1.25 0.00 0.00 42.46 42.44 2ka9 s ILE 114 CO 0.01 -0.65 0.43 0.00 0.24 0.00 0.00 174.94 174.98 2ka9 s ALA 115 N -2.60 -1.16 0.19 2.27 0.00 -0.42 -4.93 121.76 115.12 2ka9 s ALA 115 Ca 0.02 1.58 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 2ka9 s ALA 115 Cb -0.02 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.97 2ka9 s ALA 115 CO -0.02 -0.51 0.33 0.41 0.00 0.00 0.00 175.76 175.97 2ka9 n GLY 116 N 4.81 2.01 0.21 0.00 0.00 -1.19 -2.98 105.19 108.05 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 -0.28 -3.08 3.79 -0.02 0.00 0.11 -3.41 105.19 102.30 2ka9 n GLY 117 Ca -0.02 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 2ka9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka9 s VAL 118 N -0.95 4.14 0.00 1.61 1.01 -1.26 -1.35 120.40 123.60 2ka9 s VAL 118 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2ka9 s VAL 118 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2ka9 s VAL 118 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2ka9 n GLY 119 N 0.27 2.73 2.66 4.51 0.00 -1.26 -1.78 105.19 112.32 2ka9 n GLY 119 Ca 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 0.57 -2.28 0.00 1.61 4.05 -1.23 -4.98 115.26 113.00 2ka9 n ASN 120 Ca 0.00 -3.35 0.08 0.00 0.45 0.00 0.00 54.58 51.76 2ka9 n ASN 120 Cb 0.00 1.51 0.43 0.00 1.23 0.00 0.00 39.78 42.95 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ka9 n GLN 121 N 1.20 0.31 0.00 1.20 6.02 -0.46 -3.14 117.38 122.51 2ka9 n GLN 121 Ca 0.10 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 2ka9 n GLN 121 Cb 0.64 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 -1.21 0.00 -3.29 1.08 -0.00 -1.26 -4.41 115.22 106.14 2ka9 n HIS 122 Ca 0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.43 2ka9 n HIS 122 Cb 0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.04 2ka9 n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ka9 s ILE 123 N 0.00 5.16 -0.54 3.57 1.01 -1.26 -4.97 121.20 124.18 2ka9 s ILE 123 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 60.65 61.33 2ka9 s ILE 123 Cb 0.00 -3.83 -0.29 0.00 0.01 0.00 0.00 42.46 38.35 2ka9 s ILE 123 CO 0.00 0.28 1.83 -2.65 0.00 0.00 0.00 174.94 174.40 2ka9 n PRO 124 N 3.98 0.27 0.00 2.79 -0.02 -1.26 -2.42 135.00 138.34 2ka9 n PRO 124 Ca -0.06 -1.43 0.00 0.00 -2.02 0.00 0.00 63.50 59.99 2ka9 n PRO 124 Cb 0.51 -3.14 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 125 N 5.42 0.96 3.08 -1.23 0.00 -1.26 -5.13 105.19 107.03 2ka9 n GLY 125 Ca 0.45 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.49 2ka9 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ka9 s ASP 126 N -0.53 -1.11 0.64 1.61 2.15 -1.01 -5.01 116.67 113.41 2ka9 s ASP 126 Ca 0.00 -0.29 0.35 0.00 0.43 0.00 0.00 52.55 53.03 2ka9 s ASP 126 Cb 0.00 1.51 1.92 0.00 -0.30 0.00 0.00 42.92 46.05 2ka9 s ASP 126 CO 0.00 -0.15 2.14 0.78 -0.17 0.00 0.00 175.17 177.77 2ka9 h ASN 127 N 6.89 0.00 -3.70 -0.34 2.35 -1.86 -3.40 115.58 115.52 2ka9 h ASN 127 Ca -0.01 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.18 2ka9 h ASN 127 Cb 1.19 0.00 0.17 0.00 0.05 0.00 0.00 38.32 39.73 2ka9 h ASN 127 CO 0.04 0.00 0.14 -1.20 -1.65 0.00 0.00 177.43 174.77 2ka9 n SER 128 N -3.29 0.74 -4.62 5.81 7.64 -1.26 0.07 113.62 118.70 2ka9 n SER 128 Ca -0.01 0.75 -0.41 0.00 1.01 0.00 0.00 58.87 60.21 2ka9 n SER 128 Cb 0.25 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 61.98 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 -1.62 4.95 0.19 0.44 1.01 -1.25 -4.32 121.20 120.60 2ka9 s ILE 129 Ca 0.76 1.15 0.10 0.00 0.00 0.00 0.00 60.65 62.65 2ka9 s ILE 129 Cb -0.38 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2ka9 s ILE 129 CO 0.47 -0.03 -0.12 -0.31 0.00 0.00 0.00 174.94 174.95 2ka9 s TYR 130 N 2.59 2.55 0.46 3.97 1.51 -1.16 -0.83 117.35 126.43 2ka9 s TYR 130 Ca 0.27 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.96 2ka9 s TYR 130 Cb -0.15 -1.23 -0.06 0.00 -0.11 0.00 0.00 41.96 40.40 2ka9 s TYR 130 CO 0.09 0.53 0.84 0.08 -1.11 0.00 0.00 175.55 175.98 2ka9 s VAL 131 N -1.79 4.73 0.05 0.71 1.01 0.22 -1.30 120.40 124.03 2ka9 s VAL 131 Ca 0.25 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 2ka9 s VAL 131 Cb -0.08 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2ka9 s VAL 131 CO 0.14 -0.65 -0.04 0.35 0.00 0.00 0.00 175.10 174.91 2ka9 n THR 132 N -1.58 1.04 -3.86 3.92 -2.24 0.36 -3.43 114.28 108.49 2ka9 n THR 132 Ca 0.03 0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.99 2ka9 n THR 132 Cb 0.54 -1.65 -0.11 0.00 -2.10 0.00 0.00 70.33 67.01 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 -2.10 0.36 0.00 -0.78 -2.85 -1.16 -4.65 119.74 108.57 2ka9 s LYS 133 Ca -0.04 -0.19 0.04 0.00 -1.00 0.00 0.00 55.97 54.79 2ka9 s LYS 133 Cb 0.01 0.15 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 2ka9 s LYS 133 CO 0.05 -0.08 -0.14 0.42 0.10 0.00 0.00 175.35 175.71 2ka9 s ILE 134 N -0.85 1.08 0.89 3.79 1.01 -1.26 0.11 121.20 125.97 2ka9 s ILE 134 Ca -0.09 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 2ka9 s ILE 134 Cb -0.05 -0.92 0.14 0.00 0.01 0.00 0.00 42.46 41.63 2ka9 s ILE 134 CO 0.01 0.23 1.23 -0.63 0.00 0.00 0.00 174.94 175.78 2ka9 s ILE 135 N -0.45 1.99 0.18 2.92 1.01 -1.26 -5.02 121.20 120.58 2ka9 s ILE 135 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 60.65 60.50 2ka9 s ILE 135 Cb -0.06 -2.96 -0.08 0.00 0.01 0.00 0.00 42.46 39.37 2ka9 s ILE 135 CO -0.00 0.00 0.67 -1.61 0.00 0.00 0.00 174.94 174.00 2ka9 s GLU 136 N -5.67 4.22 -1.78 2.79 2.02 -1.26 -3.85 118.70 115.16 2ka9 s GLU 136 Ca 0.67 0.80 0.00 0.00 0.02 0.00 0.00 54.97 56.46 2ka9 s GLU 136 Cb -0.08 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.16 2ka9 s GLU 136 CO 0.51 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.67 2ka9 n GLY 137 N 1.00 1.14 1.40 -1.39 0.00 -1.26 -4.98 105.19 101.10 2ka9 n GLY 137 Ca -0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 2ka9 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 138 N -0.85 -2.23 0.01 -0.02 0.00 -1.25 -4.92 105.19 95.93 2ka9 n GLY 138 Ca -0.19 -1.52 -0.00 0.00 0.00 0.00 0.00 46.02 44.31 2ka9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 139 N -2.19 -0.08 -0.13 4.61 0.00 -1.80 -3.28 119.26 116.38 2ka9 h ALA 139 Ca -0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2ka9 h ALA 139 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2ka9 h ALA 139 CO 0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 179.25 179.19 2ka9 h ALA 140 N -1.91 1.62 0.28 0.00 0.00 -1.84 -0.74 119.26 116.66 2ka9 h ALA 140 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ka9 h ALA 140 Cb 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2ka9 h ALA 140 CO 0.00 0.28 -0.41 1.25 0.00 0.00 0.00 179.25 180.37 2ka9 h HIS 141 N 0.19 -1.17 -0.16 0.00 6.17 -1.83 1.65 115.15 120.00 2ka9 h HIS 141 Ca 0.04 0.02 -0.20 0.00 0.71 0.00 0.00 60.37 60.94 2ka9 h HIS 141 Cb 0.28 0.47 0.00 0.00 2.52 0.00 0.00 27.41 30.68 2ka9 h HIS 141 CO 0.00 -0.51 -0.70 0.87 0.71 0.00 0.00 177.93 178.30 2ka9 h LYS 142 N -0.72 0.68 0.00 5.26 6.56 -1.60 -0.85 116.57 125.89 2ka9 h LYS 142 Ca -0.03 -0.52 -0.00 0.00 -1.06 0.00 0.00 60.65 59.04 2ka9 h LYS 142 Cb 0.66 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.42 2ka9 h LYS 142 CO -0.12 1.14 -0.02 0.22 -2.06 0.00 0.00 179.45 178.60 2ka9 h ASP 143 N 0.48 0.00 1.81 0.86 1.82 -1.05 -3.38 116.42 116.96 2ka9 h ASP 143 Ca -0.03 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2ka9 h ASP 143 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2ka9 h ASP 143 CO 0.14 0.54 -0.08 1.23 -1.61 0.00 0.00 179.24 179.47 2ka9 h GLY 144 N -1.00 0.00 -3.17 -0.78 0.00 0.20 -3.47 103.07 94.85 2ka9 h GLY 144 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2ka9 h GLY 144 CO -0.00 0.00 -0.27 -0.96 0.00 0.00 0.00 176.54 175.31 2ka9 n ARG 145 N -2.89 -1.97 -2.86 4.80 1.85 0.14 -4.84 116.66 110.89 2ka9 n ARG 145 Ca 0.04 0.59 -0.44 0.00 -1.00 0.00 0.00 57.85 57.05 2ka9 n ARG 145 Cb 0.51 -5.07 -0.00 0.00 -1.05 0.00 0.00 32.46 26.84 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2ka9 s LEU 146 N -4.96 4.76 1.19 2.89 2.34 -1.25 -5.00 118.68 118.65 2ka9 s LEU 146 Ca 0.00 -2.76 -0.17 0.00 0.06 0.00 0.00 54.13 51.25 2ka9 s LEU 146 Cb 0.00 -2.44 0.28 0.00 -0.56 0.00 0.00 46.19 43.47 2ka9 s LEU 146 CO 0.00 -0.88 1.07 0.00 -1.06 0.00 0.00 176.35 175.48 2ka9 s GLN 147 N 2.31 -1.09 -0.06 1.48 -2.07 -1.26 -4.70 119.66 114.26 2ka9 s GLN 147 Ca 0.44 0.19 -0.39 0.00 -1.82 0.00 0.00 55.36 53.79 2ka9 s GLN 147 Cb -0.01 -1.59 -0.17 0.00 -1.09 0.00 0.00 33.01 30.15 2ka9 s GLN 147 CO 0.01 -3.68 1.45 -0.89 -1.32 0.00 0.00 175.29 170.85 2ka9 n ILE 148 N -4.79 0.09 0.00 3.63 5.41 -1.26 -2.10 119.36 120.34 2ka9 n ILE 148 Ca 0.10 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.83 2ka9 n ILE 148 Cb 0.58 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 2ka9 n ILE 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka9 n GLY 149 N 3.00 1.64 3.71 7.39 0.00 -1.22 -5.03 105.19 114.67 2ka9 n GLY 149 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.67 3.61 -0.08 1.61 1.11 -0.89 -4.64 116.67 115.72 2ka9 s ASP 150 Ca 0.00 2.09 -0.07 0.00 0.18 0.00 0.00 52.55 54.75 2ka9 s ASP 150 Cb 0.00 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.46 2ka9 s ASP 150 CO 0.00 -2.64 0.21 -1.59 1.18 0.00 0.00 175.17 172.33 2ka9 s LYS 151 N -4.64 0.24 -0.16 8.23 0.00 -1.23 0.72 119.74 122.90 2ka9 s LYS 151 Ca 0.66 0.31 -0.06 0.00 0.00 0.00 0.00 55.97 56.89 2ka9 s LYS 151 Cb -0.22 0.09 -0.04 0.00 0.00 0.00 0.00 37.83 37.67 2ka9 s LYS 151 CO 0.55 -0.05 0.03 0.96 0.00 0.00 0.00 175.35 176.85 2ka9 s ILE 152 N 0.25 4.54 -2.61 3.79 -5.25 -0.01 0.24 121.20 122.14 2ka9 s ILE 152 Ca -0.01 -0.13 0.24 0.00 -0.99 0.00 0.00 60.65 59.75 2ka9 s ILE 152 Cb -0.03 -3.01 0.12 0.00 2.95 0.00 0.00 42.46 42.50 2ka9 s ILE 152 CO -0.01 0.50 1.21 0.00 -1.79 0.00 0.00 174.94 174.86 2ka9 n LEU 153 N 3.20 2.58 0.00 0.37 -0.00 0.18 -3.81 117.00 119.52 2ka9 n LEU 153 Ca -0.17 -0.89 0.00 0.00 -0.00 0.00 0.00 56.01 54.95 2ka9 n LEU 153 Cb 0.53 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2ka9 n LEU 153 CO 0.33 0.44 0.00 0.00 -0.00 0.00 0.00 177.39 178.17 2ka9 n ALA 154 N 0.78 0.00 -3.62 1.47 0.00 -1.24 -4.69 120.51 113.22 2ka9 n ALA 154 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 2ka9 n ALA 154 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 3.96 0.00 0.00 1.01 -1.15 0.39 120.40 122.61 2ka9 s VAL 155 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.09 2ka9 s VAL 155 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2ka9 s VAL 155 CO 0.00 -0.76 0.00 0.59 0.00 0.00 0.00 175.10 174.93 2ka9 n ASN 156 N 4.79 0.00 -0.82 3.32 3.02 0.24 -1.27 115.26 124.55 2ka9 n ASN 156 Ca -0.06 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.45 2ka9 n ASN 156 Cb 0.41 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.53 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 1.88 -0.66 -4.89 6.41 3.41 -1.26 -4.97 113.62 113.54 2ka9 n SER 157 Ca 0.00 -1.45 -0.26 0.00 -0.26 0.00 0.00 58.87 56.90 2ka9 n SER 157 Cb 0.00 0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 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 4.98 -0.80 -3.33 1.01 -0.40 -5.06 120.40 116.80 2ka9 s VAL 158 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2ka9 s VAL 158 Cb 0.00 -3.56 0.22 0.00 0.00 0.00 0.00 36.38 33.04 2ka9 s VAL 158 CO 0.00 -0.11 0.75 0.61 0.00 0.00 0.00 175.10 176.35 2ka9 n GLY 159 N -0.49 4.36 0.86 4.51 0.00 -1.26 -2.92 105.19 110.25 2ka9 n GLY 159 Ca -0.08 -2.65 -0.01 0.00 0.00 0.00 0.00 46.02 43.29 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 2.38 -2.96 0.99 -0.00 -1.26 -3.87 117.00 114.03 2ka9 n LEU 160 Ca 0.24 -1.20 -0.14 0.00 -0.00 0.00 0.00 56.01 54.91 2ka9 n LEU 160 Cb 0.37 -0.52 0.01 0.00 -0.00 0.00 0.00 43.42 43.28 2ka9 n LEU 160 CO 0.38 0.42 -0.12 -1.84 -0.00 0.00 0.00 177.39 176.23 2ka9 n GLU 161 N 0.25 1.04 -0.84 1.47 0.28 -1.26 -4.58 120.64 117.01 2ka9 n GLU 161 Ca 0.03 -3.15 -0.05 0.00 -0.16 0.00 0.00 57.16 53.82 2ka9 n GLU 161 Cb 0.45 -1.42 -0.05 0.00 1.43 0.00 0.00 31.44 31.85 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ka9 n ASP 162 N 0.13 -0.69 0.00 -1.84 5.68 -1.25 -4.92 116.55 113.67 2ka9 n ASP 162 Ca 0.17 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 2ka9 n ASP 162 Cb 0.73 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.91 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2ka9 n VAL 163 N 0.00 0.00 0.00 2.12 0.31 -1.26 -5.08 118.33 114.42 2ka9 n VAL 163 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2ka9 n VAL 163 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 -1.49 0.00 -0.02 5.55 2.81 -1.26 -4.37 117.12 118.34 2ka9 n MET 164 Ca 0.00 0.00 0.21 0.00 -1.81 0.00 0.00 57.70 56.10 2ka9 n MET 164 Cb 0.00 0.00 0.69 0.00 -0.71 0.00 0.00 33.22 33.20 2ka9 n MET 164 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2ka9 h HIS 165 N 0.00 0.01 -0.01 2.03 2.76 -1.36 0.49 115.15 119.07 2ka9 h HIS 165 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2ka9 h HIS 165 Cb 0.00 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2ka9 h HIS 165 CO 0.00 0.00 -0.07 1.05 -1.30 0.00 0.00 177.93 177.62 2ka9 h GLU 166 N 0.01 0.07 -0.08 5.26 4.11 -1.87 0.12 114.58 122.19 2ka9 h GLU 166 Ca 0.27 -0.06 -0.14 0.00 0.07 0.00 0.00 59.36 59.49 2ka9 h GLU 166 Cb 1.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2ka9 h GLU 166 CO -0.01 0.73 -0.59 -0.44 0.07 0.00 0.00 179.01 178.78 2ka9 h ASP 167 N -0.58 0.31 -0.32 3.06 5.19 -1.72 0.17 116.42 122.53 2ka9 h ASP 167 Ca -0.01 -0.17 -0.15 0.00 -0.62 0.00 0.00 57.03 56.08 2ka9 h ASP 167 Cb 0.75 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 2ka9 h ASP 167 CO 0.01 0.82 -0.38 0.00 -3.12 0.00 0.00 179.24 176.57 2ka9 h ALA 168 N 1.18 0.48 -0.26 3.45 0.00 -0.11 -1.25 119.26 122.74 2ka9 h ALA 168 Ca -0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2ka9 h ALA 168 Cb 1.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2ka9 h ALA 168 CO 0.09 0.57 -0.18 0.28 0.00 0.00 0.00 179.25 180.01 2ka9 h VAL 169 N 0.60 1.31 -0.24 0.00 2.07 -0.82 -1.02 116.25 118.14 2ka9 h VAL 169 Ca 0.04 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 2ka9 h VAL 169 Cb 0.98 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2ka9 h VAL 169 CO 0.09 0.41 0.14 0.00 0.02 0.00 0.00 177.57 178.24 2ka9 h ALA 170 N 0.71 1.80 0.00 1.67 0.00 -0.61 0.30 119.26 123.12 2ka9 h ALA 170 Ca 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2ka9 h ALA 170 Cb 0.72 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2ka9 h ALA 170 CO 0.05 0.18 -0.58 0.00 0.00 0.00 0.00 179.25 178.90 2ka9 h ALA 171 N 1.83 0.69 0.21 0.00 0.00 -0.96 -0.75 119.26 120.27 2ka9 h ALA 171 Ca 0.09 -0.53 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 2ka9 h ALA 171 Cb -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.71 2ka9 h ALA 171 CO -0.02 0.72 -1.48 1.37 0.00 0.00 0.00 179.25 179.85 2ka9 h LEU 172 N 0.00 0.68 -0.56 0.00 8.10 0.23 -3.26 115.31 120.50 2ka9 h LEU 172 Ca -0.01 -0.78 -0.11 0.00 0.11 0.00 0.00 57.88 57.09 2ka9 h LEU 172 Cb 1.35 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 41.33 2ka9 h LEU 172 CO 0.08 1.62 -0.51 0.11 -4.11 0.00 0.00 178.44 175.63 2ka9 h LYS 173 N 0.12 0.00 0.00 0.17 1.57 -0.52 -2.91 116.57 115.00 2ka9 h LYS 173 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2ka9 h LYS 173 Cb 2.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.42 2ka9 h LYS 173 CO 0.24 0.51 0.00 0.09 -0.57 0.00 0.00 179.45 179.71 2ka9 n ASN 174 N -3.46 0.00 -4.36 0.86 3.02 -0.29 -4.85 115.26 106.19 2ka9 n ASN 174 Ca 0.00 0.49 -0.41 0.00 -0.03 0.00 0.00 54.58 54.63 2ka9 n ASN 174 Cb 0.63 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 2ka9 n ASN 174 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2ka9 n THR 175 N -1.50 1.07 -2.48 3.41 -2.24 -1.10 -4.97 114.28 106.48 2ka9 n THR 175 Ca 0.03 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.08 2ka9 n THR 175 Cb 0.14 -0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.66 2.80 0.50 4.78 5.04 -1.26 -4.95 117.35 122.60 2ka9 s TYR 176 Ca 0.61 0.13 0.35 0.00 -2.44 0.00 0.00 57.07 55.73 2ka9 s TYR 176 Cb -0.59 -2.93 1.49 0.00 0.35 0.00 0.00 41.96 40.28 2ka9 s TYR 176 CO 0.61 -1.12 1.70 -0.44 -1.34 0.00 0.00 175.55 174.96 2ka9 h ASP 177 N -0.21 0.14 -1.95 4.32 3.32 -1.93 -3.27 116.42 116.83 2ka9 h ASP 177 Ca -0.43 0.05 -0.35 0.00 0.02 0.00 0.00 57.03 56.32 2ka9 h ASP 177 Cb 1.30 0.03 -0.31 0.00 0.22 0.00 0.00 39.33 40.58 2ka9 h ASP 177 CO 0.54 -0.03 -0.67 -0.69 -1.72 0.00 0.00 179.24 176.67 2ka9 s VAL 178 N -5.11 -0.36 0.10 -1.35 1.01 -1.26 0.84 120.40 114.27 2ka9 s VAL 178 Ca -0.06 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.12 2ka9 s VAL 178 Cb 0.26 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2ka9 s VAL 178 CO 0.83 -0.55 -0.25 0.68 0.00 0.00 0.00 175.10 175.81 2ka9 s VAL 179 N 1.59 2.35 -0.16 2.92 -7.23 -0.85 -4.95 120.40 114.06 2ka9 s VAL 179 Ca 0.16 -1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 58.65 2ka9 s VAL 179 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2ka9 s VAL 179 CO -0.08 0.17 0.10 -0.31 -0.31 0.00 0.00 175.10 174.67 2ka9 s TYR 180 N -1.00 3.39 0.12 2.82 1.51 -1.26 -0.05 117.35 122.87 2ka9 s TYR 180 Ca 0.14 0.29 0.10 0.00 -1.01 0.00 0.00 57.07 56.59 2ka9 s TYR 180 Cb -0.10 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2ka9 s TYR 180 CO 0.06 0.38 -0.25 -0.48 -1.11 0.00 0.00 175.55 174.15 2ka9 s LEU 181 N -0.09 2.41 -0.39 -1.29 2.34 0.21 0.83 118.68 122.70 2ka9 s LEU 181 Ca 0.09 -0.69 -0.17 0.00 0.06 0.00 0.00 54.13 53.42 2ka9 s LEU 181 Cb -0.12 -1.31 0.01 0.00 -0.56 0.00 0.00 46.19 44.21 2ka9 s LEU 181 CO 0.00 0.19 0.42 -0.54 -1.06 0.00 0.00 176.35 175.36 2ka9 s LYS 182 N -2.03 3.28 0.24 1.48 1.02 0.16 -0.99 119.74 122.91 2ka9 s LYS 182 Ca 0.15 -0.60 0.06 0.00 0.02 0.00 0.00 55.97 55.60 2ka9 s LYS 182 Cb -0.10 -3.90 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 2ka9 s LYS 182 CO 0.07 -0.74 0.28 0.08 -0.92 0.00 0.00 175.35 174.11 2ka9 s VAL 183 N 2.13 4.88 0.03 3.17 1.01 -0.62 -0.65 120.40 130.36 2ka9 s VAL 183 Ca 0.13 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 60.98 2ka9 s VAL 183 Cb -0.17 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2ka9 s VAL 183 CO 0.13 -0.32 -0.10 0.00 0.00 0.00 0.00 175.10 174.81 2ka9 s ALA 184 N -2.02 0.83 -0.00 5.51 0.00 0.14 0.66 121.76 126.87 2ka9 s ALA 184 Ca 0.33 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 2ka9 s ALA 184 Cb -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2ka9 s ALA 184 CO 0.27 0.12 0.15 0.15 0.00 0.00 0.00 175.76 176.44 2ka9 s LYS 185 N -1.12 3.30 -0.34 0.00 3.01 0.28 -3.52 119.74 121.36 2ka9 s LYS 185 Ca -0.02 -0.39 -0.34 0.00 -1.01 0.00 0.00 55.97 54.20 2ka9 s LYS 185 Cb -0.08 -3.01 -0.11 0.00 -1.01 0.00 0.00 37.83 33.63 2ka9 s LYS 185 CO 0.01 0.66 2.20 -0.35 0.51 0.00 0.00 175.35 178.38 2ka9 n PRO 186 N 0.97 1.17 -0.73 -1.68 -0.04 -1.26 -3.67 135.00 129.76 2ka9 n PRO 186 Ca -0.11 0.31 -0.32 0.00 -0.04 0.00 0.00 63.50 63.34 2ka9 n PRO 186 Cb 0.52 -2.57 0.15 0.00 -0.04 0.00 0.00 33.50 31.57 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ka9 n SER 187 N 10.21 -1.51 -3.26 3.54 2.88 -1.26 -1.20 113.62 123.02 2ka9 n SER 187 Ca 0.40 0.26 -0.23 0.00 -1.33 0.00 0.00 58.87 57.96 2ka9 n SER 187 Cb 0.26 -1.24 -0.03 0.00 -0.75 0.00 0.00 64.21 62.44 2ka9 n SER 187 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2ka9 n ASN 188 N -2.34 2.84 0.00 -3.46 4.13 -1.26 -3.92 115.26 111.25 2ka9 n ASN 188 Ca 0.07 -2.34 0.00 0.00 1.68 0.00 0.00 54.58 53.99 2ka9 n ASN 188 Cb 0.54 -0.90 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54