#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 3.03 0.25 0.03 2.02 0.32 -4.85 118.70 119.51 2ka9 s GLU 2 Ca 0.00 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.23 2ka9 s GLU 2 Cb 0.00 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 2ka9 s GLU 2 CO 0.00 0.51 0.11 0.71 0.02 0.00 0.00 175.26 176.61 2ka9 s TYR 3 N -1.69 1.48 -0.30 1.61 1.51 -1.26 0.70 117.35 119.39 2ka9 s TYR 3 Ca 0.32 -1.25 -0.17 0.00 -1.01 0.00 0.00 57.07 54.96 2ka9 s TYR 3 Cb -0.11 -0.83 0.20 0.00 -0.11 0.00 0.00 41.96 41.12 2ka9 s TYR 3 CO 0.24 -0.42 1.26 -2.00 -1.11 0.00 0.00 175.55 173.52 2ka9 s GLU 4 N -4.03 0.06 -0.37 -0.62 2.12 -0.51 -4.91 118.70 110.44 2ka9 s GLU 4 Ca 0.38 0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.76 2ka9 s GLU 4 Cb 0.07 0.04 0.07 0.00 0.26 0.00 0.00 34.13 34.57 2ka9 s GLU 4 CO 0.14 -0.01 0.15 -1.83 -0.54 0.00 0.00 175.26 173.17 2ka9 s GLU 5 N 1.49 2.47 0.00 4.30 -1.05 -1.26 -0.90 118.70 123.74 2ka9 s GLU 5 Ca -0.05 -1.40 0.00 0.00 -0.15 0.00 0.00 54.97 53.38 2ka9 s GLU 5 Cb -0.02 -3.53 0.00 0.00 -0.44 0.00 0.00 34.13 30.14 2ka9 s GLU 5 CO -0.13 -0.82 0.00 0.44 0.95 0.00 0.00 175.26 175.70 2ka9 n ILE 6 N 4.77 0.00 -4.29 1.83 -0.00 0.14 -4.95 119.36 116.86 2ka9 n ILE 6 Ca -0.10 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.46 2ka9 n ILE 6 Cb 0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 39.64 39.92 2ka9 n ILE 6 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2ka9 s THR 7 N -0.70 0.65 -0.54 7.28 -4.23 -1.26 0.08 115.64 116.91 2ka9 s THR 7 Ca 0.00 -0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 2ka9 s THR 7 Cb 0.00 -0.58 0.13 0.00 1.34 0.00 0.00 72.50 73.39 2ka9 s THR 7 CO 0.00 0.21 0.28 -0.22 -0.54 0.00 0.00 174.62 174.35 2ka9 s LEU 8 N 0.23 4.31 0.04 4.79 2.96 0.12 -4.88 118.68 126.24 2ka9 s LEU 8 Ca -0.03 -3.09 -0.30 0.00 -0.22 0.00 0.00 54.13 50.48 2ka9 s LEU 8 Cb -0.08 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 2ka9 s LEU 8 CO 0.00 -0.22 1.25 -1.61 -1.32 0.00 0.00 176.35 174.46 2ka9 s GLU 9 N -0.40 4.38 -0.66 1.98 2.02 -1.26 -2.52 118.70 122.24 2ka9 s GLU 9 Ca 0.18 1.82 -0.35 0.00 0.02 0.00 0.00 54.97 56.64 2ka9 s GLU 9 Cb -0.24 -3.41 -0.17 0.00 0.10 0.00 0.00 34.13 30.41 2ka9 s GLU 9 CO -0.02 -0.36 2.40 0.54 0.02 0.00 0.00 175.26 177.84 2ka9 n ARG 10 N 4.38 0.33 -0.80 1.61 1.74 0.31 -4.65 116.66 119.58 2ka9 n ARG 10 Ca 0.10 0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.91 2ka9 n ARG 10 Cb 0.45 -1.91 -0.05 0.00 -1.02 0.00 0.00 32.46 29.93 2ka9 n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ka9 n GLY 11 N 6.76 2.30 5.30 -0.13 0.00 0.31 -4.60 105.19 115.13 2ka9 n GLY 11 Ca 0.54 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2ka9 n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ka9 n ASN 12 N 6.52 0.00 -1.50 1.61 3.02 -1.26 -3.98 115.26 119.67 2ka9 n ASN 12 Ca 0.42 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.86 2ka9 n ASN 12 Cb 0.28 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.64 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ka9 n SER 13 N 3.76 2.95 0.00 6.41 3.41 -1.26 -5.06 113.62 123.82 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ka9 n GLY 14 N -1.12 0.82 0.08 5.00 0.00 -1.26 -4.92 105.19 103.80 2ka9 n GLY 14 Ca 0.41 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 -0.38 0.99 4.07 -1.89 0.89 115.31 118.99 2ka9 h LEU 15 Ca 0.00 -0.68 0.00 0.00 0.08 0.00 0.00 57.88 57.28 2ka9 h LEU 15 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 15 CO 0.00 1.13 0.00 0.61 -1.08 0.00 0.00 178.44 179.10 2ka9 n GLY 16 N 1.56 0.70 3.51 0.83 0.00 -1.26 0.10 105.19 110.62 2ka9 n GLY 16 Ca -0.17 -0.68 -0.11 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 -2.13 -0.44 -0.05 1.61 -0.12 -1.26 -2.49 117.98 113.10 2ka9 s PHE 17 Ca 0.00 0.50 0.05 0.00 -0.05 0.00 0.00 56.93 57.43 2ka9 s PHE 17 Cb 0.00 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 2ka9 s PHE 17 CO 0.00 -0.56 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.28 2ka9 s SER 18 N -1.97 3.46 0.28 1.98 0.01 0.22 -4.95 113.70 112.73 2ka9 s SER 18 Ca -0.00 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.94 2ka9 s SER 18 Cb -0.01 -0.72 -0.06 0.00 0.21 0.00 0.00 66.02 65.44 2ka9 s SER 18 CO -0.04 0.30 -0.02 0.27 0.41 0.00 0.00 173.24 174.16 2ka9 s ILE 19 N -0.48 1.44 0.17 1.44 -4.36 -1.26 0.13 121.20 118.28 2ka9 s ILE 19 Ca 0.06 -2.08 -0.23 0.00 -0.26 0.00 0.00 60.65 58.14 2ka9 s ILE 19 Cb -0.11 -2.51 0.07 0.00 1.25 0.00 0.00 42.46 41.15 2ka9 s ILE 19 CO 0.01 -0.24 0.61 0.00 0.24 0.00 0.00 174.94 175.56 2ka9 s ALA 20 N -3.14 -1.57 0.00 2.27 0.00 -1.18 -4.82 121.76 113.32 2ka9 s ALA 20 Ca 0.31 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2ka9 s ALA 20 Cb 0.05 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2ka9 s ALA 20 CO 0.12 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2ka9 n GLY 21 N -0.38 0.42 0.00 0.00 0.00 -1.26 -3.79 105.19 100.18 2ka9 n GLY 21 Ca -0.16 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2ka9 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 22 N 0.00 3.44 0.21 -0.02 0.00 -1.22 -4.17 105.19 103.43 2ka9 n GLY 22 Ca 0.00 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.48 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 0.02 0.00 0.00 2.61 1.03 -1.47 -2.52 112.91 112.57 2ka9 h THR 23 Ca 0.00 -0.06 -0.35 0.00 -0.01 0.00 0.00 66.41 66.00 2ka9 h THR 23 Cb 0.00 0.72 -0.06 0.00 -1.07 0.00 0.00 68.15 67.74 2ka9 h THR 23 CO 0.00 0.00 -2.32 -0.90 -0.01 0.00 0.00 175.52 172.29 2ka9 n ASP 24 N -2.50 2.07 -3.67 0.00 5.75 -1.26 -4.77 116.55 112.17 2ka9 n ASP 24 Ca -0.01 -0.12 -0.27 0.00 -0.01 0.00 0.00 54.79 54.38 2ka9 n ASP 24 Cb 0.08 -0.27 -0.10 0.00 -1.03 0.00 0.00 41.12 39.79 2ka9 n ASP 24 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2ka9 n ASN 25 N -3.15 2.70 -4.22 -1.12 3.02 -1.02 -5.09 115.26 106.37 2ka9 n ASN 25 Ca -0.40 -3.16 -0.37 0.00 -0.03 0.00 0.00 54.58 50.62 2ka9 n ASN 25 Cb 0.95 -0.70 0.05 0.00 -0.61 0.00 0.00 39.78 39.46 2ka9 n ASN 25 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2ka9 n PRO 26 N 1.70 0.04 0.00 3.52 -0.02 -0.98 -3.42 135.00 135.84 2ka9 n PRO 26 Ca 0.24 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2ka9 n PRO 26 Cb 0.39 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 2ka9 n PRO 26 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2ka9 n HIS 27 N -2.27 0.00 -0.05 6.00 -0.00 -1.26 -4.73 115.22 112.91 2ka9 n HIS 27 Ca 0.05 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.14 2ka9 n HIS 27 Cb 0.52 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.36 2ka9 n HIS 27 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2ka9 n ILE 28 N -0.95 1.33 -2.01 3.57 -5.35 -1.26 -4.96 119.36 109.73 2ka9 n ILE 28 Ca 0.00 0.14 -0.02 0.00 -0.27 0.00 0.00 62.75 62.61 2ka9 n ILE 28 Cb 0.00 -2.01 0.00 0.00 -1.74 0.00 0.00 39.64 35.89 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 2.13 -0.13 1.07 3.28 0.00 -1.26 -5.00 105.19 105.28 2ka9 n GLY 29 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.19 -1.85 -4.12 1.61 -0.08 -1.26 -5.07 116.55 105.59 2ka9 n ASP 30 Ca -0.08 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.88 2ka9 n ASP 30 Cb 0.48 -0.46 -0.15 0.00 2.34 0.00 0.00 41.12 43.33 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 -2.87 3.94 -0.99 1.67 -1.08 -1.26 -5.04 116.67 111.04 2ka9 s ASP 31 Ca 0.00 -1.01 -0.26 0.00 -0.52 0.00 0.00 52.55 50.76 2ka9 s ASP 31 Cb 0.00 -1.55 -0.21 0.00 -1.46 0.00 0.00 42.92 39.70 2ka9 s ASP 31 CO 0.00 -0.11 2.15 -2.65 0.52 0.00 0.00 175.17 175.08 2ka9 n PRO 32 N 4.55 0.19 0.00 4.34 -0.02 -1.26 -4.72 135.00 138.08 2ka9 n PRO 32 Ca -0.17 -1.45 0.00 0.00 -2.02 0.00 0.00 63.50 59.86 2ka9 n PRO 32 Cb 0.46 -3.78 0.00 0.00 -0.02 0.00 0.00 33.50 30.16 2ka9 n PRO 32 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ka9 n SER 33 N 19.21 0.00 -4.74 2.55 2.88 -1.25 -4.08 113.62 128.19 2ka9 n SER 33 Ca 0.41 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.64 2ka9 n SER 33 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 2ka9 n SER 33 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ka9 s ILE 34 N -1.37 4.41 -0.01 2.46 1.09 -1.26 -4.43 121.20 122.09 2ka9 s ILE 34 Ca 0.00 -0.71 -0.04 0.00 -1.10 0.00 0.00 60.65 58.80 2ka9 s ILE 34 Cb 0.00 -3.07 -0.00 0.00 -1.06 0.00 0.00 42.46 38.33 2ka9 s ILE 34 CO 0.00 0.21 0.08 0.72 -0.10 0.00 0.00 174.94 175.84 2ka9 s PHE 35 N -1.29 0.03 0.40 3.97 -0.71 -1.25 -3.55 117.98 115.58 2ka9 s PHE 35 Ca 0.26 -0.05 -0.25 0.00 -1.04 0.00 0.00 56.93 55.85 2ka9 s PHE 35 Cb -0.12 -0.04 -0.09 0.00 -1.21 0.00 0.00 43.02 41.56 2ka9 s PHE 35 CO 0.18 -0.15 1.11 0.42 -1.34 0.00 0.00 175.22 175.43 2ka9 s ILE 36 N -0.73 3.44 -0.21 -4.49 1.01 0.33 -3.08 121.20 117.46 2ka9 s ILE 36 Ca -0.08 1.16 -0.07 0.00 0.00 0.00 0.00 60.65 61.66 2ka9 s ILE 36 Cb -0.05 -3.63 -0.19 0.00 0.01 0.00 0.00 42.46 38.60 2ka9 s ILE 36 CO 0.00 0.06 -0.00 0.35 0.00 0.00 0.00 174.94 175.35 2ka9 n THR 37 N 0.03 1.60 -3.45 2.92 -2.24 0.35 -1.73 114.28 111.75 2ka9 n THR 37 Ca 0.05 -0.49 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 2ka9 n THR 37 Cb 0.48 -1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 66.99 2ka9 n THR 37 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ka9 s LYS 38 N -2.51 1.17 -0.01 -0.78 0.00 -1.17 -4.78 119.74 111.67 2ka9 s LYS 38 Ca -0.31 -0.34 0.06 0.00 0.00 0.00 0.00 55.97 55.39 2ka9 s LYS 38 Cb 0.09 0.54 -0.03 0.00 0.00 0.00 0.00 37.83 38.43 2ka9 s LYS 38 CO 0.63 -0.49 -0.20 0.42 0.00 0.00 0.00 175.35 175.71 2ka9 s ILE 39 N -3.26 2.61 0.04 3.79 1.01 -1.26 0.71 121.20 124.84 2ka9 s ILE 39 Ca -0.00 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.36 2ka9 s ILE 39 Cb -0.01 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 2ka9 s ILE 39 CO -0.09 0.50 0.80 -0.63 0.00 0.00 0.00 174.94 175.52 2ka9 s ILE 40 N -0.76 4.73 -1.05 2.92 1.01 -1.04 -4.95 121.20 122.06 2ka9 s ILE 40 Ca 0.12 1.70 -0.23 0.00 0.00 0.00 0.00 60.65 62.24 2ka9 s ILE 40 Cb -0.10 -4.15 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 2ka9 s ILE 40 CO 0.02 0.34 1.94 -0.81 0.00 0.00 0.00 174.94 176.42 2ka9 n PRO 41 N 2.95 1.35 0.00 2.79 -0.04 -1.26 -2.46 135.00 138.32 2ka9 n PRO 41 Ca -0.01 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 2ka9 n PRO 41 Cb 0.50 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 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 5.57 0.54 3.50 0.55 0.00 -1.26 -5.15 105.19 108.93 2ka9 n GLY 42 Ca 0.45 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 1.55 0.45 -0.02 0.00 -1.03 -4.92 107.32 103.35 2ka9 s GLY 43 Ca 0.00 -0.10 0.25 0.00 0.00 0.00 0.00 44.72 44.87 2ka9 s GLY 43 CO 0.00 0.61 1.73 0.00 0.00 0.00 0.00 173.10 175.44 2ka9 h ALA 44 N -2.61 0.96 0.32 3.20 0.00 0.49 -3.28 119.26 118.34 2ka9 h ALA 44 Ca -0.61 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2ka9 h ALA 44 Cb 1.33 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2ka9 h ALA 44 CO 0.50 0.12 -0.41 0.00 0.00 0.00 0.00 179.25 179.46 2ka9 h ALA 45 N 1.91 -0.84 0.00 0.00 0.00 -1.68 0.57 119.26 119.21 2ka9 h ALA 45 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2ka9 h ALA 45 Cb 0.87 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2ka9 h ALA 45 CO 0.01 -1.02 -0.16 0.00 0.00 0.00 0.00 179.25 178.09 2ka9 h ALA 46 N -0.37 1.58 -0.18 0.00 0.00 -1.84 0.36 119.26 118.81 2ka9 h ALA 46 Ca -0.02 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 2ka9 h ALA 46 Cb 0.72 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ka9 h ALA 46 CO -0.12 0.20 -0.62 0.37 0.00 0.00 0.00 179.25 179.07 2ka9 h GLN 47 N 0.00 0.65 0.00 0.00 4.15 -1.40 -2.96 115.11 115.55 2ka9 h GLN 47 Ca -0.00 -0.45 -0.01 0.00 0.77 0.00 0.00 58.65 58.96 2ka9 h GLN 47 Cb 0.31 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 2ka9 h GLN 47 CO 0.02 1.07 -0.30 0.22 -1.93 0.00 0.00 178.83 177.91 2ka9 h ASP 48 N 0.48 0.00 -2.69 -0.69 3.58 0.92 -3.49 116.42 114.52 2ka9 h ASP 48 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ka9 h ASP 48 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2ka9 h ASP 48 CO 0.12 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.12 2ka9 n GLY 49 N 1.13 -0.27 1.80 -0.78 0.00 0.12 -4.94 105.19 102.24 2ka9 n GLY 49 Ca 0.03 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 2ka9 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka9 n ARG 50 N -0.79 1.78 0.00 1.61 3.00 -0.97 -5.01 116.66 116.27 2ka9 n ARG 50 Ca 0.00 -1.66 0.00 0.00 -0.01 0.00 0.00 57.85 56.18 2ka9 n ARG 50 Cb 0.34 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.15 2ka9 n ARG 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2ka9 n LEU 51 N -0.05 0.00 -4.76 0.55 -0.00 -1.26 -4.48 117.00 107.00 2ka9 n LEU 51 Ca 0.32 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.92 2ka9 n LEU 51 Cb 0.83 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.24 2ka9 n LEU 51 CO 0.37 0.00 1.08 -0.60 -0.00 0.00 0.00 177.39 178.25 2ka9 s ARG 52 N 0.00 4.24 0.24 1.47 6.06 -1.26 -4.92 118.95 124.78 2ka9 s ARG 52 Ca 0.00 2.37 -0.04 0.00 -2.50 0.00 0.00 55.73 55.57 2ka9 s ARG 52 Cb 0.00 -3.05 0.27 0.00 0.06 0.00 0.00 34.95 32.23 2ka9 s ARG 52 CO 0.00 -0.39 1.74 -0.39 -2.50 0.00 0.00 175.30 173.75 2ka9 h VAL 53 N 3.20 1.25 0.00 7.11 -1.51 -1.78 -2.64 116.25 121.87 2ka9 h VAL 53 Ca -0.48 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 2ka9 h VAL 53 Cb 1.23 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2ka9 h VAL 53 CO 0.70 0.37 0.26 0.78 -1.23 0.00 0.00 177.57 178.45 2ka9 h ASN 54 N 0.82 0.00 -3.00 4.19 2.35 -1.59 0.94 115.58 119.30 2ka9 h ASN 54 Ca 0.16 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.48 2ka9 h ASN 54 Cb 0.45 0.00 0.22 0.00 0.05 0.00 0.00 38.32 39.05 2ka9 h ASN 54 CO 0.02 0.00 -0.16 -0.90 -1.65 0.00 0.00 177.43 174.74 2ka9 n ASP 55 N -2.15 -2.15 -4.02 5.81 5.75 -1.00 -4.57 116.55 114.23 2ka9 n ASP 55 Ca -0.01 -0.26 -0.31 0.00 -0.01 0.00 0.00 54.79 54.20 2ka9 n ASP 55 Cb 0.28 -1.19 -0.16 0.00 -1.03 0.00 0.00 41.12 39.03 2ka9 n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2ka9 s SER 56 N -2.36 3.57 -0.67 -1.12 0.01 -0.95 -3.26 113.70 108.91 2ka9 s SER 56 Ca 0.67 -0.97 -0.26 0.00 1.31 0.00 0.00 55.95 56.71 2ka9 s SER 56 Cb -0.23 -1.31 -0.12 0.00 0.21 0.00 0.00 66.02 64.57 2ka9 s SER 56 CO 0.65 -0.14 2.42 2.30 0.41 0.00 0.00 173.24 178.88 2ka9 n ILE 57 N 4.64 -0.04 0.25 1.44 -5.35 -1.23 -1.37 119.36 117.69 2ka9 n ILE 57 Ca -0.15 -0.62 0.08 0.00 -0.27 0.00 0.00 62.75 61.79 2ka9 n ILE 57 Cb 0.46 -2.23 0.62 0.00 -1.74 0.00 0.00 39.64 36.75 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 20.62 0.00 -7.02 7.28 3.38 -0.46 -3.38 115.31 135.73 2ka9 h LEU 58 Ca -0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2ka9 h LEU 58 Cb 1.13 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.67 2ka9 h LEU 58 CO 1.11 0.09 -0.08 -0.36 0.09 0.00 0.00 178.44 179.29 2ka9 s PHE 59 N -4.75 -1.13 -0.22 1.13 0.40 0.84 -3.95 117.98 110.30 2ka9 s PHE 59 Ca -0.04 2.13 -0.02 0.00 -0.60 0.00 0.00 56.93 58.39 2ka9 s PHE 59 Cb 0.16 0.66 0.01 0.00 0.51 0.00 0.00 43.02 44.36 2ka9 s PHE 59 CO 0.66 -0.57 -0.08 0.14 0.70 0.00 0.00 175.22 176.07 2ka9 s VAL 60 N 2.17 2.99 -1.48 -0.44 -7.23 -0.24 0.13 120.40 116.29 2ka9 s VAL 60 Ca -0.08 -0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 59.25 2ka9 s VAL 60 Cb -0.08 -2.39 0.06 0.00 0.56 0.00 0.00 36.38 34.53 2ka9 s VAL 60 CO -0.19 0.38 0.95 -3.20 -0.31 0.00 0.00 175.10 172.73 2ka9 n ASN 61 N 4.73 -4.23 -1.55 4.85 2.85 -0.81 -0.50 115.26 120.60 2ka9 n ASN 61 Ca -0.18 -0.77 -0.14 0.00 -0.11 0.00 0.00 54.58 53.38 2ka9 n ASN 61 Cb 0.50 -4.00 -0.01 0.00 1.24 0.00 0.00 39.78 37.51 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2ka9 n GLU 62 N -4.64 -1.09 -5.28 1.20 2.13 -1.26 -5.01 120.64 106.70 2ka9 n GLU 62 Ca -0.03 0.68 -0.31 0.00 0.66 0.00 0.00 57.16 58.16 2ka9 n GLU 62 Cb 0.56 -4.94 -0.16 0.00 0.27 0.00 0.00 31.44 27.16 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ka9 s VAL 63 N -2.68 2.05 -0.45 6.31 1.01 0.35 -5.10 120.40 121.90 2ka9 s VAL 63 Ca 0.00 -1.08 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 2ka9 s VAL 63 Cb 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.68 2ka9 s VAL 63 CO 0.00 0.57 1.02 -0.62 0.00 0.00 0.00 175.10 176.08 2ka9 s ASP 64 N -0.27 6.61 -0.10 3.32 -1.08 -1.26 -1.08 116.67 122.80 2ka9 s ASP 64 Ca -0.00 0.39 0.15 0.00 -0.52 0.00 0.00 52.55 52.56 2ka9 s ASP 64 Cb -0.13 -2.50 0.31 0.00 -1.46 0.00 0.00 42.92 39.14 2ka9 s ASP 64 CO 0.03 -1.10 1.15 1.33 0.52 0.00 0.00 175.17 177.09 2ka9 n VAL 65 N 6.51 1.18 1.96 1.11 0.24 -1.25 -4.75 118.33 123.33 2ka9 n VAL 65 Ca 0.09 -1.85 0.08 0.00 -2.04 0.00 0.00 64.34 60.61 2ka9 n VAL 65 Cb 0.49 0.20 0.46 0.00 -1.47 0.00 0.00 33.84 33.51 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2ka9 n ARG 66 N -0.60 0.98 -2.47 7.34 1.85 -1.26 -3.70 116.66 118.80 2ka9 n ARG 66 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.94 2ka9 n ARG 66 Cb 0.79 -1.24 0.10 0.00 -1.05 0.00 0.00 32.46 31.06 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 -0.74 1.08 -4.93 2.89 1.02 -1.26 -3.77 120.64 114.93 2ka9 n GLU 67 Ca 0.12 -1.05 -0.31 0.00 -0.02 0.00 0.00 57.16 55.90 2ka9 n GLU 67 Cb 0.05 0.29 -0.14 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.11 2.36 1.08 2.62 -7.23 -1.24 -4.67 120.40 113.43 2ka9 s VAL 68 Ca 0.09 -1.22 -0.19 0.00 -1.81 0.00 0.00 61.98 58.84 2ka9 s VAL 68 Cb 0.36 -1.92 0.06 0.00 0.56 0.00 0.00 36.38 35.44 2ka9 s VAL 68 CO -0.10 0.42 -0.23 0.35 -0.31 0.00 0.00 175.10 175.24 2ka9 n THR 69 N 1.91 0.00 -0.03 5.32 -2.24 -1.26 -1.48 114.28 116.49 2ka9 n THR 69 Ca -0.17 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 2ka9 n THR 69 Cb 0.52 -0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.00 0.15 -0.69 4.78 2.76 -1.85 -2.82 115.15 115.48 2ka9 h HIS 70 Ca -0.46 -0.05 0.08 0.00 -2.20 0.00 0.00 60.37 57.75 2ka9 h HIS 70 Cb 1.26 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 30.12 2ka9 h HIS 70 CO -0.44 0.60 0.35 1.03 -1.30 0.00 0.00 177.93 178.17 2ka9 h SER 71 N -0.34 0.47 -0.32 3.26 0.87 -1.91 0.19 113.55 115.76 2ka9 h SER 71 Ca 0.01 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2ka9 h SER 71 Cb 0.58 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 2ka9 h SER 71 CO 0.01 0.28 0.17 0.00 -0.53 0.00 0.00 176.83 176.77 2ka9 h ALA 72 N 1.41 1.64 -0.22 6.23 0.00 -1.91 0.34 119.26 126.75 2ka9 h ALA 72 Ca 0.33 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2ka9 h ALA 72 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ka9 h ALA 72 CO -0.25 0.30 -0.51 0.00 0.00 0.00 0.00 179.25 178.79 2ka9 h ALA 73 N 1.70 0.36 -0.47 0.00 0.00 -0.72 -1.18 119.26 118.94 2ka9 h ALA 73 Ca 0.13 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2ka9 h ALA 73 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ka9 h ALA 73 CO -0.02 0.54 0.01 0.28 0.00 0.00 0.00 179.25 180.07 2ka9 h VAL 74 N 0.46 1.24 -0.03 0.00 2.07 0.16 -1.84 116.25 118.31 2ka9 h VAL 74 Ca -0.00 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 2ka9 h VAL 74 Cb 1.12 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2ka9 h VAL 74 CO 0.11 0.34 -0.46 -0.33 0.02 0.00 0.00 177.57 177.25 2ka9 h GLU 75 N 0.73 0.06 -0.24 1.57 5.08 -0.21 0.18 114.58 121.75 2ka9 h GLU 75 Ca 0.15 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 2ka9 h GLU 75 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2ka9 h GLU 75 CO 0.02 0.51 -0.46 0.00 -1.00 0.00 0.00 179.01 178.08 2ka9 h ALA 76 N 1.48 0.74 0.00 3.43 0.00 -0.51 -0.16 119.26 124.24 2ka9 h ALA 76 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2ka9 h ALA 76 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2ka9 h ALA 76 CO 0.06 0.67 -0.76 1.37 0.00 0.00 0.00 179.25 180.59 2ka9 h LEU 77 N 0.50 0.00 -0.25 0.00 8.10 -1.13 -1.30 115.31 121.23 2ka9 h LEU 77 Ca 0.03 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.82 2ka9 h LEU 77 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.20 2ka9 h LEU 77 CO 0.09 0.58 -0.90 0.07 -4.11 0.00 0.00 178.44 174.18 2ka9 h LYS 78 N 0.00 0.20 -0.22 0.17 5.09 -0.44 -3.25 116.57 118.12 2ka9 h LYS 78 Ca -0.04 -0.22 -0.11 0.00 0.09 0.00 0.00 60.65 60.36 2ka9 h LYS 78 Cb 1.48 0.07 -0.07 0.00 0.10 0.00 0.00 32.23 33.81 2ka9 h LYS 78 CO 0.07 0.97 -0.24 -0.85 -2.09 0.00 0.00 179.45 177.31 2ka9 n GLU 79 N -3.65 1.74 0.07 0.07 0.28 -0.09 -4.60 120.64 114.46 2ka9 n GLU 79 Ca -0.04 -3.24 0.03 0.00 -0.16 0.00 0.00 57.16 53.76 2ka9 n GLU 79 Cb 0.82 -1.74 -0.04 0.00 1.43 0.00 0.00 31.44 31.90 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ka9 h ALA 80 N 1.00 0.63 0.00 -1.84 0.00 -1.26 -3.48 119.26 114.31 2ka9 h ALA 80 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ka9 h ALA 80 Cb 1.42 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2ka9 h ALA 80 CO 0.24 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.55 2ka9 n GLY 81 N 1.32 1.02 0.05 0.00 0.00 -1.26 -4.44 105.19 101.87 2ka9 n GLY 81 Ca -0.06 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.49 2ka9 n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ka9 n SER 82 N 0.25 0.90 -3.32 1.61 7.64 -1.26 -4.85 113.62 114.59 2ka9 n SER 82 Ca 0.00 -1.59 -0.11 0.00 1.01 0.00 0.00 58.87 58.18 2ka9 n SER 82 Cb 0.00 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.56 -0.54 -0.31 0.44 1.01 -1.26 0.11 121.20 120.09 2ka9 s ILE 83 Ca 0.02 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 2ka9 s ILE 83 Cb 0.02 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 2ka9 s ILE 83 CO 0.00 -0.39 0.15 0.68 0.00 0.00 0.00 174.94 175.39 2ka9 s VAL 84 N 1.78 4.61 -0.94 2.92 -7.23 -1.05 -4.89 120.40 115.61 2ka9 s VAL 84 Ca 0.15 -0.42 -0.22 0.00 -1.81 0.00 0.00 61.98 59.67 2ka9 s VAL 84 Cb -0.12 -3.35 0.07 0.00 0.56 0.00 0.00 36.38 33.53 2ka9 s VAL 84 CO -0.11 0.06 1.32 -0.60 -0.31 0.00 0.00 175.10 175.47 2ka9 s ARG 85 N 1.61 3.51 0.09 4.82 3.52 -1.26 0.12 118.95 131.36 2ka9 s ARG 85 Ca 0.05 -1.14 -0.11 0.00 -0.13 0.00 0.00 55.73 54.39 2ka9 s ARG 85 Cb -0.17 -5.03 -0.06 0.00 -1.56 0.00 0.00 34.95 28.12 2ka9 s ARG 85 CO 0.06 -2.08 0.44 -0.51 -0.81 0.00 0.00 175.30 172.40 2ka9 s LEU 86 N 4.49 4.36 -0.21 -0.88 1.02 0.11 -1.93 118.68 125.64 2ka9 s LEU 86 Ca 0.40 0.88 0.01 0.00 0.02 0.00 0.00 54.13 55.44 2ka9 s LEU 86 Cb -0.03 -3.00 0.04 0.00 0.02 0.00 0.00 46.19 43.22 2ka9 s LEU 86 CO -0.05 0.17 -0.12 -0.47 0.02 0.00 0.00 176.35 175.90 2ka9 s TYR 87 N -1.38 2.65 0.39 0.29 5.04 0.34 0.29 117.35 124.96 2ka9 s TYR 87 Ca 0.33 -1.76 0.08 0.00 -2.44 0.00 0.00 57.07 53.28 2ka9 s TYR 87 Cb -0.14 -1.74 -0.06 0.00 0.35 0.00 0.00 41.96 40.37 2ka9 s TYR 87 CO 0.18 -0.78 0.11 0.14 -1.34 0.00 0.00 175.55 173.86 2ka9 s VAL 88 N 1.32 2.37 -0.19 3.14 -7.23 -0.08 0.27 120.40 120.01 2ka9 s VAL 88 Ca -0.02 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2ka9 s VAL 88 Cb -0.17 -2.95 0.06 0.00 0.56 0.00 0.00 36.38 33.89 2ka9 s VAL 88 CO -0.08 -0.06 0.08 -0.32 -0.31 0.00 0.00 175.10 174.41 2ka9 s MET 89 N -3.83 0.27 -0.14 4.82 1.75 -0.47 -1.42 119.30 120.28 2ka9 s MET 89 Ca 0.38 -0.24 -0.02 0.00 -1.25 0.00 0.00 55.69 54.56 2ka9 s MET 89 Cb 0.04 -1.87 -0.02 0.00 2.84 0.00 0.00 34.83 35.81 2ka9 s MET 89 CO 0.21 -0.69 -0.07 -0.98 -0.65 0.00 0.00 175.02 172.84 2ka9 s ARG 90 N 2.04 3.49 -0.06 4.11 1.70 0.22 -2.25 118.95 128.20 2ka9 s ARG 90 Ca 0.02 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.41 2ka9 s ARG 90 Cb -0.16 -2.79 -0.03 0.00 -0.57 0.00 0.00 34.95 31.39 2ka9 s ARG 90 CO -0.11 0.28 1.21 1.03 -1.08 0.00 0.00 175.30 176.63 2ka9 s ARG 91 N 0.24 4.34 -0.10 3.89 0.52 -1.26 0.12 118.95 126.69 2ka9 s ARG 91 Ca -0.05 1.68 -0.28 0.00 -0.52 0.00 0.00 55.73 56.57 2ka9 s ARG 91 Cb -0.14 -3.58 -0.24 0.00 0.52 0.00 0.00 34.95 31.50 2ka9 s ARG 91 CO 0.04 -0.48 0.92 0.87 0.02 0.00 0.00 175.30 176.67 2ka9 h LYS 92 N 7.54 0.01 -6.11 3.54 1.57 -1.92 -3.46 116.57 117.74 2ka9 h LYS 92 Ca -0.33 -0.02 -0.75 0.00 -1.87 0.00 0.00 60.65 57.67 2ka9 h LYS 92 Cb 1.16 0.01 0.04 0.00 0.08 0.00 0.00 32.23 33.51 2ka9 h LYS 92 CO 0.89 0.86 0.36 -2.30 -0.57 0.00 0.00 179.45 178.69 2ka9 n PRO 93 N -4.66 0.54 -3.14 3.15 -0.02 -1.26 -4.90 135.00 124.70 2ka9 n PRO 93 Ca -0.10 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 2ka9 n PRO 93 Cb 0.43 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.07 2ka9 n PRO 93 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ka9 s PRO 94 N 0.87 3.16 -0.36 0.52 0.04 -1.26 -4.03 135.00 133.94 2ka9 s PRO 94 Ca 0.91 -0.75 0.04 0.00 0.04 0.00 0.00 61.00 61.23 2ka9 s PRO 94 Cb -1.16 -4.06 0.55 0.00 0.04 0.00 0.00 34.50 29.87 2ka9 s PRO 94 CO 0.57 -1.17 1.74 0.00 0.04 0.00 0.00 177.00 178.18 2ka9 n ALA 95 N 6.21 4.98 -1.57 8.56 0.00 -1.26 -4.67 120.51 132.75 2ka9 n ALA 95 Ca -0.05 -2.32 -0.56 0.00 0.00 0.00 0.00 53.44 50.50 2ka9 n ALA 95 Cb 0.46 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.79 0.59 -4.64 0.00 2.13 -1.26 -4.53 120.64 112.14 2ka9 n GLU 96 Ca 0.48 0.21 -0.33 0.00 0.66 0.00 0.00 57.16 58.18 2ka9 n GLU 96 Cb 1.44 -1.79 -0.13 0.00 0.27 0.00 0.00 31.44 31.23 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 0.67 3.45 0.06 5.31 -0.14 -1.26 -4.89 119.74 122.93 2ka9 s LYS 97 Ca 0.90 -0.62 -0.27 0.00 -1.36 0.00 0.00 55.97 54.62 2ka9 s LYS 97 Cb -1.13 -2.73 -0.05 0.00 -1.68 0.00 0.00 37.83 32.24 2ka9 s LYS 97 CO 0.55 0.25 0.84 0.54 -0.76 0.00 0.00 175.35 176.77 2ka9 s VAL 98 N 0.28 4.69 0.36 3.17 0.11 -1.26 -0.53 120.40 127.22 2ka9 s VAL 98 Ca -0.07 1.80 0.08 0.00 -2.93 0.00 0.00 61.98 60.86 2ka9 s VAL 98 Cb -0.15 -4.19 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 2ka9 s VAL 98 CO 0.04 0.33 0.15 -0.04 -3.33 0.00 0.00 175.10 172.25 2ka9 s MET 99 N 0.10 2.32 -0.23 1.54 -1.94 0.97 -4.97 119.30 117.09 2ka9 s MET 99 Ca 0.42 -1.63 -0.02 0.00 -1.71 0.00 0.00 55.69 52.74 2ka9 s MET 99 Cb -0.21 -2.12 0.07 0.00 2.01 0.00 0.00 34.83 34.58 2ka9 s MET 99 CO 0.25 0.04 0.06 -2.00 -0.01 0.00 0.00 175.02 173.37 2ka9 s GLU 100 N -3.86 0.61 0.20 2.03 2.12 -1.26 -1.74 118.70 116.80 2ka9 s GLU 100 Ca 0.39 -0.60 0.09 0.00 0.36 0.00 0.00 54.97 55.21 2ka9 s GLU 100 Cb -0.01 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 2ka9 s GLU 100 CO 0.23 -0.77 -0.10 0.42 -0.54 0.00 0.00 175.26 174.50 2ka9 s ILE 101 N 1.83 3.12 -0.16 -3.70 -1.09 0.15 -4.96 121.20 116.39 2ka9 s ILE 101 Ca 0.03 -1.76 -0.02 0.00 -2.23 0.00 0.00 60.65 56.67 2ka9 s ILE 101 Cb -0.17 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 2ka9 s ILE 101 CO -0.16 -0.16 -0.10 -0.54 -1.23 0.00 0.00 174.94 172.76 2ka9 s LYS 102 N -2.96 3.41 -0.12 2.79 3.01 -1.26 0.13 119.74 124.73 2ka9 s LYS 102 Ca 0.26 -0.65 -0.01 0.00 -1.01 0.00 0.00 55.97 54.56 2ka9 s LYS 102 Cb -0.08 -2.76 0.03 0.00 -1.01 0.00 0.00 37.83 34.00 2ka9 s LYS 102 CO 0.15 0.09 -0.06 -1.17 0.51 0.00 0.00 175.35 174.88 2ka9 s LEU 103 N 0.68 1.16 0.10 3.17 0.20 0.85 -2.58 118.68 122.26 2ka9 s LEU 103 Ca -0.05 -0.35 -0.12 0.00 0.69 0.00 0.00 54.13 54.31 2ka9 s LEU 103 Cb -0.15 -0.78 -0.06 0.00 -0.43 0.00 0.00 46.19 44.77 2ka9 s LEU 103 CO 0.02 -0.15 0.46 0.27 -0.29 0.00 0.00 176.35 176.66 2ka9 s ILE 104 N 1.74 5.00 0.89 6.68 -4.36 -1.26 -2.10 121.20 127.81 2ka9 s ILE 104 Ca 0.04 0.61 -0.11 0.00 -0.26 0.00 0.00 60.65 60.93 2ka9 s ILE 104 Cb -0.13 -3.68 0.13 0.00 1.25 0.00 0.00 42.46 40.02 2ka9 s ILE 104 CO -0.08 0.29 1.09 -0.75 0.24 0.00 0.00 174.94 175.73 2ka9 s LYS 105 N -1.88 1.28 0.00 0.37 2.20 0.16 -4.56 119.74 117.30 2ka9 s LYS 105 Ca 0.34 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 2ka9 s LYS 105 Cb -0.14 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 2ka9 s LYS 105 CO 0.18 -2.25 0.00 0.41 -0.36 0.00 0.00 175.35 173.33 2ka9 n GLY 106 N -1.00 4.58 0.14 5.54 0.00 0.47 -4.96 105.19 109.95 2ka9 n GLY 106 Ca 0.07 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 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 0.34 -0.72 1.61 0.13 -1.97 -3.17 132.00 128.22 2ka9 h PRO 107 Ca 0.00 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 2ka9 h PRO 107 Cb 0.00 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 2ka9 h PRO 107 CO 0.00 1.14 0.03 1.63 -0.23 0.00 0.00 178.00 180.56 2ka9 n LYS 108 N -3.66 3.68 0.00 0.86 4.01 -1.26 -5.01 118.16 116.77 2ka9 n LYS 108 Ca -0.07 -2.23 0.00 0.00 -0.51 0.00 0.00 58.31 55.50 2ka9 n LYS 108 Cb 0.90 -2.04 0.00 0.00 -0.51 0.00 0.00 35.03 33.39 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ka9 n GLY 109 N 0.38 0.76 0.08 0.72 0.00 -1.20 -4.35 105.19 101.59 2ka9 n GLY 109 Ca 0.21 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 0.05 -0.01 0.99 4.07 -1.88 1.38 115.31 119.90 2ka9 h LEU 110 Ca 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.88 2ka9 h LEU 110 Cb 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.72 2ka9 h LEU 110 CO 0.00 1.07 0.00 0.61 -1.08 0.00 0.00 178.44 179.04 2ka9 n GLY 111 N 1.52 1.19 3.63 0.83 0.00 -1.26 -3.57 105.19 107.52 2ka9 n GLY 111 Ca -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.01 -0.06 -0.26 1.61 -0.71 -1.26 -2.48 117.98 112.81 2ka9 s PHE 112 Ca 0.00 0.03 -0.05 0.00 -1.04 0.00 0.00 56.93 55.87 2ka9 s PHE 112 Cb 0.00 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 42.32 2ka9 s PHE 112 CO 0.00 -0.09 0.01 -1.12 -1.34 0.00 0.00 175.22 172.69 2ka9 s SER 113 N -2.09 4.72 0.46 1.98 0.01 0.36 -4.95 113.70 114.18 2ka9 s SER 113 Ca 0.11 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.84 2ka9 s SER 113 Cb -0.01 -1.80 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 2ka9 s SER 113 CO -0.03 -0.11 0.22 0.27 0.41 0.00 0.00 173.24 174.00 2ka9 s ILE 114 N 1.47 2.00 0.37 1.44 -4.36 -1.26 0.61 121.20 121.47 2ka9 s ILE 114 Ca 0.04 -1.67 0.05 0.00 -0.26 0.00 0.00 60.65 58.81 2ka9 s ILE 114 Cb -0.16 -2.67 0.06 0.00 1.25 0.00 0.00 42.46 40.94 2ka9 s ILE 114 CO -0.01 0.00 0.51 0.00 0.24 0.00 0.00 174.94 175.69 2ka9 n ALA 115 N -1.39 0.69 -3.10 2.27 0.00 -0.09 -4.81 120.51 114.07 2ka9 n ALA 115 Ca -0.03 -1.29 -0.12 0.00 0.00 0.00 0.00 53.44 51.99 2ka9 n ALA 115 Cb 0.65 0.33 -0.11 0.00 0.00 0.00 0.00 19.45 20.32 2ka9 n ALA 115 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ka9 s GLY 116 N -3.68 -0.10 0.04 0.00 0.00 -0.90 -4.69 107.32 97.99 2ka9 s GLY 116 Ca 0.38 0.35 -0.13 0.00 0.00 0.00 0.00 44.72 45.33 2ka9 s GLY 116 CO 0.24 0.25 1.20 -1.33 0.00 0.00 0.00 173.10 173.47 2ka9 h GLY 117 N 5.23 -1.27 -4.15 0.20 0.00 -1.66 -2.76 103.07 98.66 2ka9 h GLY 117 Ca -0.27 0.61 -0.59 0.00 0.00 0.00 0.00 47.33 47.08 2ka9 h GLY 117 CO 0.39 -0.41 -0.55 0.14 0.00 0.00 0.00 176.54 176.11 2ka9 s VAL 118 N -4.01 4.77 0.00 4.60 1.01 -1.26 -3.76 120.40 121.75 2ka9 s VAL 118 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2ka9 s VAL 118 Cb 0.02 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2ka9 s VAL 118 CO 0.22 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2ka9 n GLY 119 N -0.14 2.42 0.00 4.51 0.00 -1.26 0.14 105.19 110.86 2ka9 n GLY 119 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2ka9 n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ka9 n ASN 120 N 0.00 0.00 0.16 1.61 3.02 -1.26 -4.83 115.26 113.96 2ka9 n ASN 120 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 2ka9 n ASN 120 Cb 0.00 0.00 0.57 0.00 -0.61 0.00 0.00 39.78 39.74 2ka9 n ASN 120 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2ka9 h GLN 121 N 0.00 0.00 0.00 3.52 4.20 -1.58 -2.38 115.11 118.87 2ka9 h GLN 121 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ka9 h GLN 121 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2ka9 h GLN 121 CO 0.00 0.00 0.00 1.58 -0.67 0.00 0.00 178.83 179.74 2ka9 n HIS 122 N -2.31 0.00 -3.45 2.96 -0.00 -1.26 -4.60 115.22 106.57 2ka9 n HIS 122 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 2ka9 n HIS 122 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.06 2ka9 n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ka9 s ILE 123 N 0.00 4.95 -0.85 3.57 1.01 -1.26 -4.96 121.20 123.66 2ka9 s ILE 123 Ca 0.00 0.76 -0.28 0.00 0.00 0.00 0.00 60.65 61.13 2ka9 s ILE 123 Cb 0.00 -3.72 -0.27 0.00 0.01 0.00 0.00 42.46 38.48 2ka9 s ILE 123 CO 0.00 0.36 2.00 -2.65 0.00 0.00 0.00 174.94 174.65 2ka9 n PRO 124 N 1.15 0.13 -0.92 2.79 -0.02 -1.26 -3.13 135.00 133.74 2ka9 n PRO 124 Ca -0.09 -1.58 0.00 0.00 -2.02 0.00 0.00 63.50 59.82 2ka9 n PRO 124 Cb 0.52 -3.62 0.00 0.00 -0.02 0.00 0.00 33.50 30.38 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 5.87 0.51 3.15 -1.23 0.00 -1.26 -5.10 105.19 107.13 2ka9 n GLY 125 Ca 0.43 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.30 -1.41 0.62 1.61 -1.08 -1.18 -5.00 116.67 107.92 2ka9 s ASP 126 Ca 0.00 -0.35 0.31 0.00 -0.52 0.00 0.00 52.55 51.99 2ka9 s ASP 126 Cb 0.00 1.83 1.69 0.00 -1.46 0.00 0.00 42.92 44.98 2ka9 s ASP 126 CO 0.00 -0.20 2.03 0.78 0.52 0.00 0.00 175.17 178.30 2ka9 h ASN 127 N 7.23 0.00 -2.22 -0.34 2.35 -1.85 -3.42 115.58 117.33 2ka9 h ASN 127 Ca 0.01 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.20 2ka9 h ASN 127 Cb 1.19 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.58 2ka9 h ASN 127 CO 0.09 0.00 1.18 -1.54 -1.65 0.00 0.00 177.43 175.51 2ka9 n SER 128 N -3.44 3.88 -4.67 5.81 3.41 -1.26 -3.56 113.62 113.77 2ka9 n SER 128 Ca 0.02 0.93 -0.42 0.00 -0.26 0.00 0.00 58.87 59.13 2ka9 n SER 128 Cb 0.39 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 62.85 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ka9 s ILE 129 N 4.26 3.79 0.12 -1.33 1.01 -1.24 -4.88 121.20 122.93 2ka9 s ILE 129 Ca 0.90 1.08 0.07 0.00 0.00 0.00 0.00 60.65 62.70 2ka9 s ILE 129 Cb -0.54 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2ka9 s ILE 129 CO 0.46 -0.05 -0.06 -0.31 0.00 0.00 0.00 174.94 174.98 2ka9 s TYR 130 N 3.08 2.80 -0.22 3.97 1.51 -1.26 -0.10 117.35 127.12 2ka9 s TYR 130 Ca 0.65 -0.13 -0.23 0.00 -1.01 0.00 0.00 57.07 56.34 2ka9 s TYR 130 Cb -0.30 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.10 2ka9 s TYR 130 CO 0.25 0.46 0.76 0.08 -1.11 0.00 0.00 175.55 175.99 2ka9 s VAL 131 N -1.35 4.90 -0.10 0.71 1.01 -0.31 -0.91 120.40 124.35 2ka9 s VAL 131 Ca 0.23 1.45 -0.04 0.00 0.00 0.00 0.00 61.98 63.62 2ka9 s VAL 131 Cb -0.11 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2ka9 s VAL 131 CO 0.16 -0.00 0.13 0.71 0.00 0.00 0.00 175.10 176.09 2ka9 h THR 132 N 5.33 0.17 -3.06 3.92 1.35 -0.15 -2.95 112.91 117.52 2ka9 h THR 132 Ca -0.27 -1.09 -0.10 0.00 -0.55 0.00 0.00 66.41 64.41 2ka9 h THR 132 Cb 1.12 0.31 -0.18 0.00 -1.73 0.00 0.00 68.15 67.67 2ka9 h THR 132 CO 0.83 0.06 -0.20 -0.75 -0.25 0.00 0.00 175.52 175.21 2ka9 s LYS 133 N -1.77 0.80 -0.01 4.72 2.36 -1.12 -4.70 119.74 120.02 2ka9 s LYS 133 Ca -0.02 -0.31 0.07 0.00 -2.55 0.00 0.00 55.97 53.15 2ka9 s LYS 133 Cb -0.00 0.35 -0.02 0.00 -1.05 0.00 0.00 37.83 37.11 2ka9 s LYS 133 CO 0.08 -0.25 -0.22 0.42 1.55 0.00 0.00 175.35 176.93 2ka9 s ILE 134 N -2.00 2.39 0.95 5.43 1.01 -1.26 0.13 121.20 127.85 2ka9 s ILE 134 Ca -0.09 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.35 2ka9 s ILE 134 Cb -0.02 -1.89 0.17 0.00 0.01 0.00 0.00 42.46 40.72 2ka9 s ILE 134 CO 0.01 0.52 1.17 -0.63 0.00 0.00 0.00 174.94 176.00 2ka9 s ILE 135 N -0.71 1.94 -0.41 2.92 1.01 -1.03 -4.95 121.20 119.96 2ka9 s ILE 135 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.81 2ka9 s ILE 135 Cb -0.10 -2.77 0.62 0.00 0.01 0.00 0.00 42.46 40.22 2ka9 s ILE 135 CO 0.01 0.00 1.79 -0.62 0.00 0.00 0.00 174.94 176.12 2ka9 n GLU 136 N -3.88 2.16 0.11 2.79 1.02 -1.26 -4.49 120.64 117.08 2ka9 n GLU 136 Ca 0.09 -3.08 -0.02 0.00 -0.02 0.00 0.00 57.16 54.12 2ka9 n GLU 136 Cb 0.59 -2.09 0.04 0.00 -0.02 0.00 0.00 31.44 29.97 2ka9 n GLU 136 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2ka9 h GLY 137 N 1.05 0.00 0.00 0.62 0.00 -1.93 -3.48 103.07 99.33 2ka9 h GLY 137 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2ka9 h GLY 137 CO 0.93 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.08 2ka9 n GLY 138 N 0.90 1.46 0.00 4.60 0.00 -1.26 -5.05 105.19 105.83 2ka9 n GLY 138 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2ka9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 n ALA 139 N -1.31 0.00 0.11 4.61 0.00 -1.26 -4.36 120.51 118.29 2ka9 n ALA 139 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2ka9 n ALA 139 Cb 0.03 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.69 2ka9 n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka9 h ALA 140 N -2.00 1.06 0.18 0.00 0.00 -1.76 -1.18 119.26 115.57 2ka9 h ALA 140 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ka9 h ALA 140 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2ka9 h ALA 140 CO 0.00 0.64 -0.41 0.45 0.00 0.00 0.00 179.25 179.92 2ka9 h HIS 141 N 0.13 -1.18 -0.16 0.00 -0.00 -1.84 1.62 115.15 113.72 2ka9 h HIS 141 Ca 0.00 0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.23 2ka9 h HIS 141 Cb 0.91 0.49 0.01 0.00 -0.00 0.00 0.00 27.41 28.82 2ka9 h HIS 141 CO 0.01 -0.49 -0.55 0.87 -0.00 0.00 0.00 177.93 177.77 2ka9 h LYS 142 N -0.65 0.66 0.00 2.45 1.57 -1.76 -1.50 116.57 117.34 2ka9 h LYS 142 Ca -0.02 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2ka9 h LYS 142 Cb 0.62 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2ka9 h LYS 142 CO -0.18 1.11 -0.01 0.22 -0.57 0.00 0.00 179.45 180.02 2ka9 h ASP 143 N 0.33 0.00 -0.28 0.86 3.58 -1.16 -3.39 116.42 116.35 2ka9 h ASP 143 Ca -0.02 -0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.20 2ka9 h ASP 143 Cb 1.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 2ka9 h ASP 143 CO 0.12 0.54 -0.44 1.23 -2.88 0.00 0.00 179.24 177.80 2ka9 h GLY 144 N -1.00 0.88 -1.57 -0.78 0.00 0.21 -3.41 103.07 97.40 2ka9 h GLY 144 Ca -0.00 -0.99 -0.39 0.00 0.00 0.00 0.00 47.33 45.95 2ka9 h GLY 144 CO -0.00 0.89 -0.39 0.54 0.00 0.00 0.00 176.54 177.58 2ka9 n ARG 145 N -4.12 -1.51 -3.17 4.80 1.74 0.37 -4.82 116.66 109.95 2ka9 n ARG 145 Ca -0.04 1.09 -0.45 0.00 -0.77 0.00 0.00 57.85 57.68 2ka9 n ARG 145 Cb 0.57 -5.52 -0.01 0.00 -1.02 0.00 0.00 32.46 26.48 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 -4.88 5.95 1.03 0.55 2.34 -1.26 -5.04 118.68 117.37 2ka9 s LEU 146 Ca 0.00 -2.86 -0.12 0.00 0.06 0.00 0.00 54.13 51.21 2ka9 s LEU 146 Cb 0.00 -2.29 0.21 0.00 -0.56 0.00 0.00 46.19 43.55 2ka9 s LEU 146 CO 0.00 -0.63 1.07 0.00 -1.06 0.00 0.00 176.35 175.73 2ka9 s GLN 147 N 0.59 0.14 -0.33 1.48 0.00 -1.26 -4.69 119.66 115.59 2ka9 s GLN 147 Ca 0.29 0.91 -0.40 0.00 -0.00 0.00 0.00 55.36 56.17 2ka9 s GLN 147 Cb -0.07 -1.67 -0.15 0.00 0.00 0.00 0.00 33.01 31.11 2ka9 s GLN 147 CO -0.07 -3.03 1.90 -0.89 0.00 0.00 0.00 175.29 173.19 2ka9 n ILE 148 N -4.44 0.23 0.00 3.63 5.41 -1.26 -1.92 119.36 121.01 2ka9 n ILE 148 Ca 0.06 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2ka9 n ILE 148 Cb 0.55 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 2ka9 n ILE 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka9 n GLY 149 N 5.16 1.39 3.66 7.39 0.00 -1.11 -5.06 105.19 116.62 2ka9 n GLY 149 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.21 6.90 -0.26 1.61 1.11 -0.81 -4.77 116.67 119.24 2ka9 s ASP 150 Ca 0.00 1.78 -0.11 0.00 0.18 0.00 0.00 52.55 54.40 2ka9 s ASP 150 Cb 0.00 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 2ka9 s ASP 150 CO 0.00 -0.79 0.18 -1.59 1.18 0.00 0.00 175.17 174.15 2ka9 s LYS 151 N 3.57 4.02 -0.29 8.23 -2.85 -1.26 -1.16 119.74 130.00 2ka9 s LYS 151 Ca 0.58 -0.29 -0.11 0.00 -1.00 0.00 0.00 55.97 55.15 2ka9 s LYS 151 Cb -0.24 -3.59 -0.04 0.00 -2.06 0.00 0.00 37.83 31.91 2ka9 s LYS 151 CO 0.17 -0.05 0.18 0.42 0.10 0.00 0.00 175.35 176.17 2ka9 s ILE 152 N 1.37 5.09 -2.06 3.79 1.09 0.85 0.37 121.20 131.71 2ka9 s ILE 152 Ca 0.07 -0.02 0.31 0.00 -1.10 0.00 0.00 60.65 59.91 2ka9 s ILE 152 Cb -0.15 -3.48 0.78 0.00 -1.06 0.00 0.00 42.46 38.55 2ka9 s ILE 152 CO 0.07 0.19 2.09 0.00 -0.10 0.00 0.00 174.94 177.19 2ka9 n LEU 153 N 5.04 0.37 0.00 2.97 -0.00 0.13 -3.67 117.00 121.84 2ka9 n LEU 153 Ca -0.14 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 2ka9 n LEU 153 Cb 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2ka9 n LEU 153 CO 0.34 0.06 0.00 0.00 -0.00 0.00 0.00 177.39 177.79 2ka9 n ALA 154 N -0.75 0.00 -3.97 1.47 0.00 -1.15 -4.06 120.51 112.05 2ka9 n ALA 154 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 2ka9 n ALA 154 Cb 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.49 2ka9 n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ka9 s VAL 155 N -2.00 2.11 0.00 0.00 1.01 0.21 0.06 120.40 121.79 2ka9 s VAL 155 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 59.67 2ka9 s VAL 155 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2ka9 s VAL 155 CO 0.00 -0.63 0.00 0.59 0.00 0.00 0.00 175.10 175.06 2ka9 n ASN 156 N 4.22 0.00 0.00 3.32 3.02 0.06 -2.14 115.26 123.74 2ka9 n ASN 156 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2ka9 n ASN 156 Cb 0.41 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2ka9 n ASN 156 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2ka9 n SER 157 N 1.72 0.00 -4.76 6.41 7.64 -1.26 -4.99 113.62 118.38 2ka9 n SER 157 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2ka9 n SER 157 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2ka9 n SER 157 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2ka9 s VAL 158 N -0.02 3.69 -1.73 0.44 -7.23 -0.91 -4.93 120.40 109.72 2ka9 s VAL 158 Ca 0.00 1.65 0.01 0.00 -1.81 0.00 0.00 61.98 61.83 2ka9 s VAL 158 Cb 0.00 -4.03 0.03 0.00 0.56 0.00 0.00 36.38 32.93 2ka9 s VAL 158 CO 0.00 0.36 0.89 0.61 -0.31 0.00 0.00 175.10 176.65 2ka9 n GLY 159 N 1.17 -0.22 3.15 2.32 0.00 -1.26 -0.62 105.19 109.73 2ka9 n GLY 159 Ca -0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.30 -0.30 -2.65 0.99 4.77 -1.26 -4.44 117.00 113.81 2ka9 n LEU 160 Ca 0.01 -0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 55.79 2ka9 n LEU 160 Cb 0.09 -1.16 0.09 0.00 -2.33 0.00 0.00 43.42 40.10 2ka9 n LEU 160 CO 0.01 0.04 0.68 -1.84 -1.33 0.00 0.00 177.39 174.94 2ka9 n GLU 161 N -2.94 0.02 -0.75 3.23 0.28 -1.26 -3.82 120.64 115.40 2ka9 n GLU 161 Ca 0.04 -0.53 -0.04 0.00 -0.16 0.00 0.00 57.16 56.47 2ka9 n GLU 161 Cb 0.46 -0.03 -0.04 0.00 1.43 0.00 0.00 31.44 33.25 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ka9 n ASP 162 N 1.35 -0.55 0.00 -1.84 8.00 -1.26 -4.99 116.55 117.25 2ka9 n ASP 162 Ca -0.01 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.08 2ka9 n ASP 162 Cb 0.73 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ka9 n VAL 163 N 0.00 0.00 0.00 2.53 0.31 -1.26 -5.10 118.33 114.81 2ka9 n VAL 163 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2ka9 n VAL 163 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2ka9 n VAL 163 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2ka9 n MET 164 N -0.75 -0.02 -0.05 5.55 0.00 -1.26 -4.44 117.12 116.16 2ka9 n MET 164 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 57.70 57.91 2ka9 n MET 164 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 33.22 33.89 2ka9 n MET 164 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2ka9 h HIS 165 N 0.00 0.07 -0.03 3.17 2.76 0.93 0.60 115.15 122.64 2ka9 h HIS 165 Ca 0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 2ka9 h HIS 165 Cb 0.00 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.94 2ka9 h HIS 165 CO 0.00 0.03 -0.16 1.49 -1.30 0.00 0.00 177.93 177.99 2ka9 h GLU 166 N 0.06 0.17 -0.02 5.26 4.57 -1.94 -0.72 114.58 121.95 2ka9 h GLU 166 Ca 0.30 -0.14 -0.17 0.00 -1.18 0.00 0.00 59.36 58.17 2ka9 h GLU 166 Cb 1.11 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2ka9 h GLU 166 CO -0.02 0.79 -0.76 -0.44 -1.18 0.00 0.00 179.01 177.40 2ka9 h ASP 167 N -0.41 0.22 0.10 1.04 5.19 -1.69 -2.16 116.42 118.70 2ka9 h ASP 167 Ca -0.01 -0.16 -0.14 0.00 -0.62 0.00 0.00 57.03 56.10 2ka9 h ASP 167 Cb 0.82 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 2ka9 h ASP 167 CO 0.03 0.90 -0.48 0.00 -3.12 0.00 0.00 179.24 176.57 2ka9 h ALA 168 N 1.09 0.86 -0.35 3.45 0.00 0.10 -0.73 119.26 123.68 2ka9 h ALA 168 Ca -0.03 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 2ka9 h ALA 168 Cb 1.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ka9 h ALA 168 CO 0.11 0.66 -0.39 0.28 0.00 0.00 0.00 179.25 179.91 2ka9 h VAL 169 N 0.35 1.28 -0.01 0.00 2.07 -1.00 -0.92 116.25 118.02 2ka9 h VAL 169 Ca 0.02 -1.57 -0.12 0.00 0.82 0.00 0.00 66.70 65.85 2ka9 h VAL 169 Cb 0.97 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2ka9 h VAL 169 CO 0.09 0.52 -0.55 0.00 0.02 0.00 0.00 177.57 177.64 2ka9 h ALA 170 N 0.75 1.06 0.00 1.67 0.00 -1.28 -1.65 119.26 119.81 2ka9 h ALA 170 Ca 0.05 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2ka9 h ALA 170 Cb 0.99 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2ka9 h ALA 170 CO 0.10 0.69 -0.52 0.00 0.00 0.00 0.00 179.25 179.51 2ka9 h ALA 171 N 1.41 0.72 0.23 0.00 0.00 -0.98 -0.86 119.26 119.77 2ka9 h ALA 171 Ca -0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 2ka9 h ALA 171 Cb 0.99 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.72 2ka9 h ALA 171 CO 0.07 0.65 -1.46 1.37 0.00 0.00 0.00 179.25 179.89 2ka9 h LEU 172 N 0.00 0.75 -0.54 0.00 8.10 -0.96 -3.23 115.31 119.44 2ka9 h LEU 172 Ca -0.01 -0.93 -0.11 0.00 0.11 0.00 0.00 57.88 56.95 2ka9 h LEU 172 Cb 1.30 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 41.26 2ka9 h LEU 172 CO 0.07 1.69 -0.51 0.07 -4.11 0.00 0.00 178.44 175.65 2ka9 h LYS 173 N 0.06 0.00 0.00 0.17 2.10 -1.36 -2.95 116.57 114.59 2ka9 h LYS 173 Ca -0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 2ka9 h LYS 173 Cb 2.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.41 2ka9 h LYS 173 CO 0.24 0.51 -0.05 -0.91 -2.00 0.00 0.00 179.45 177.23 2ka9 h ASN 174 N 0.00 0.00 -1.34 7.07 -0.26 -1.22 -3.44 115.58 116.39 2ka9 h ASN 174 Ca -0.01 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 2ka9 h ASN 174 Cb 1.16 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 38.48 2ka9 h ASN 174 CO 0.07 0.05 -0.05 0.35 -1.06 0.00 0.00 177.43 176.79 2ka9 n THR 175 N -3.23 0.00 -3.09 2.81 -2.24 -1.12 -5.03 114.28 102.40 2ka9 n THR 175 Ca -0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2ka9 n THR 175 Cb 0.27 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.22 2.58 -0.21 4.78 5.04 -1.26 -4.98 117.35 122.09 2ka9 s TYR 176 Ca 0.18 -0.46 0.19 0.00 -2.44 0.00 0.00 57.07 54.53 2ka9 s TYR 176 Cb -0.03 -2.33 1.02 0.00 0.35 0.00 0.00 41.96 40.97 2ka9 s TYR 176 CO 0.15 -0.49 1.55 -3.47 -1.34 0.00 0.00 175.55 171.95 2ka9 n ASP 177 N -1.87 0.49 -3.37 4.32 2.03 -1.26 -3.85 116.55 113.03 2ka9 n ASP 177 Ca 0.08 0.71 -0.18 0.00 0.52 0.00 0.00 54.79 55.93 2ka9 n ASP 177 Cb 0.60 -0.75 -0.08 0.00 -0.72 0.00 0.00 41.12 40.16 2ka9 n ASP 177 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2ka9 s VAL 178 N -3.47 -0.31 0.11 5.18 1.01 -1.26 0.38 120.40 122.04 2ka9 s VAL 178 Ca -0.02 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.06 2ka9 s VAL 178 Cb 0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2ka9 s VAL 178 CO 0.17 -0.60 -0.27 0.68 0.00 0.00 0.00 175.10 175.08 2ka9 s VAL 179 N 1.46 2.21 -0.22 2.92 -7.23 -0.89 -4.95 120.40 113.70 2ka9 s VAL 179 Ca 0.17 -1.66 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 2ka9 s VAL 179 Cb -0.16 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 2ka9 s VAL 179 CO -0.05 0.16 0.14 -0.72 -0.31 0.00 0.00 175.10 174.33 2ka9 s TYR 180 N -0.99 3.36 0.16 2.82 1.13 -1.26 -0.11 117.35 122.46 2ka9 s TYR 180 Ca 0.13 0.28 0.06 0.00 -1.41 0.00 0.00 57.07 56.13 2ka9 s TYR 180 Cb -0.10 -2.21 -0.04 0.00 -1.10 0.00 0.00 41.96 38.51 2ka9 s TYR 180 CO 0.05 0.18 0.06 -0.51 -2.51 0.00 0.00 175.55 172.82 2ka9 s LEU 181 N 0.69 3.56 -0.29 -3.49 1.43 0.34 -0.76 118.68 120.16 2ka9 s LEU 181 Ca 0.08 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 2ka9 s LEU 181 Cb -0.12 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 2ka9 s LEU 181 CO 0.01 0.10 0.35 -0.54 0.23 0.00 0.00 176.35 176.49 2ka9 s LYS 182 N -2.90 3.92 0.33 1.70 1.02 0.11 -0.67 119.74 123.23 2ka9 s LYS 182 Ca 0.29 -0.10 0.07 0.00 0.02 0.00 0.00 55.97 56.24 2ka9 s LYS 182 Cb -0.10 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 2ka9 s LYS 182 CO 0.21 -0.31 0.41 0.08 -0.92 0.00 0.00 175.35 174.81 2ka9 s VAL 183 N 2.02 4.02 -0.00 3.17 1.01 -0.71 0.21 120.40 130.11 2ka9 s VAL 183 Ca 0.13 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.04 2ka9 s VAL 183 Cb -0.16 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2ka9 s VAL 183 CO 0.10 -0.18 -0.12 0.00 0.00 0.00 0.00 175.10 174.91 2ka9 s ALA 184 N -2.20 0.99 0.29 5.51 0.00 0.16 -0.02 121.76 126.49 2ka9 s ALA 184 Ca 0.43 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.64 2ka9 s ALA 184 Cb -0.08 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 2ka9 s ALA 184 CO 0.30 0.23 0.80 0.21 0.00 0.00 0.00 175.76 177.30 2ka9 s LYS 185 N -0.39 4.27 -0.44 0.00 2.47 0.31 -4.32 119.74 121.65 2ka9 s LYS 185 Ca 0.04 0.95 -0.06 0.00 -1.56 0.00 0.00 55.97 55.35 2ka9 s LYS 185 Cb -0.05 -2.70 -0.05 0.00 -1.46 0.00 0.00 37.83 33.57 2ka9 s LYS 185 CO -0.00 0.28 1.56 -2.30 0.16 0.00 0.00 175.35 175.05 2ka9 n PRO 186 N 0.32 0.98 0.00 4.03 -0.02 -1.26 -4.25 135.00 134.80 2ka9 n PRO 186 Ca 0.01 -1.02 0.00 0.00 -2.02 0.00 0.00 63.50 60.47 2ka9 n PRO 186 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2ka9 n PRO 186 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2ka9 n SER 187 N 5.04 -0.47 -3.21 2.55 3.41 -1.26 -2.43 113.62 117.23 2ka9 n SER 187 Ca 0.25 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.64 2ka9 n SER 187 Cb 0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 2ka9 n SER 187 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ka9 n ASN 188 N -3.86 3.85 0.00 4.04 2.85 -1.26 -4.27 115.26 116.61 2ka9 n ASN 188 Ca 0.00 -2.33 0.00 0.00 -0.11 0.00 0.00 54.58 52.14 2ka9 n ASN 188 Cb 0.00 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 40.02 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15