#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 3.22 0.04 3.17 2.02 -1.06 -4.95 118.70 121.14 2ka9 s GLU 2 Ca 0.00 -0.90 -0.27 0.00 0.02 0.00 0.00 54.97 53.82 2ka9 s GLU 2 Cb 0.00 -2.83 0.07 0.00 0.10 0.00 0.00 34.13 31.47 2ka9 s GLU 2 CO 0.00 0.16 0.62 0.71 0.02 0.00 0.00 175.26 176.78 2ka9 s TYR 3 N -2.13 -0.58 0.00 1.61 1.51 -1.26 -1.87 117.35 114.63 2ka9 s TYR 3 Ca 0.42 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 2ka9 s TYR 3 Cb -0.09 0.45 0.00 0.00 -0.11 0.00 0.00 41.96 42.21 2ka9 s TYR 3 CO 0.31 -0.70 0.00 0.39 -1.11 0.00 0.00 175.55 174.43 2ka9 n GLU 4 N 0.35 0.00 -1.58 -0.62 1.02 -0.58 -5.00 120.64 114.23 2ka9 n GLU 4 Ca -0.18 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.64 2ka9 n GLU 4 Cb 0.60 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.08 2ka9 n GLU 4 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2ka9 s GLU 5 N -2.00 2.77 -0.14 3.49 2.12 -1.26 -2.01 118.70 121.67 2ka9 s GLU 5 Ca 0.00 1.12 -0.17 0.00 0.36 0.00 0.00 54.97 56.28 2ka9 s GLU 5 Cb 0.00 -1.96 0.04 0.00 0.26 0.00 0.00 34.13 32.47 2ka9 s GLU 5 CO 0.00 -1.24 0.45 0.42 -0.54 0.00 0.00 175.26 174.35 2ka9 s ILE 6 N -2.81 0.01 -0.17 -3.70 1.01 0.28 -4.85 121.20 110.98 2ka9 s ILE 6 Ca 0.61 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.19 2ka9 s ILE 6 Cb -0.16 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.67 2ka9 s ILE 6 CO 0.50 -0.04 -0.17 0.42 0.00 0.00 0.00 174.94 175.66 2ka9 s THR 7 N -0.12 1.83 -0.42 2.92 -4.23 -1.25 0.15 115.64 114.52 2ka9 s THR 7 Ca -0.03 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 2ka9 s THR 7 Cb -0.03 -1.70 0.12 0.00 1.34 0.00 0.00 72.50 72.23 2ka9 s THR 7 CO 0.02 0.47 0.18 -0.22 -0.54 0.00 0.00 174.62 174.52 2ka9 s LEU 8 N 1.38 3.51 0.74 4.79 2.96 -0.36 -4.91 118.68 126.78 2ka9 s LEU 8 Ca 0.04 -2.45 -0.12 0.00 -0.22 0.00 0.00 54.13 51.38 2ka9 s LEU 8 Cb -0.13 -1.30 0.03 0.00 0.50 0.00 0.00 46.19 45.29 2ka9 s LEU 8 CO -0.11 -0.31 1.11 -1.83 -1.32 0.00 0.00 176.35 173.88 2ka9 s GLU 9 N 0.52 2.59 -0.82 1.98 -1.05 -1.26 -2.49 118.70 118.18 2ka9 s GLU 9 Ca 0.15 0.44 -0.25 0.00 -0.15 0.00 0.00 54.97 55.16 2ka9 s GLU 9 Cb -0.22 -1.99 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 2ka9 s GLU 9 CO -0.06 -1.22 1.81 1.03 0.95 0.00 0.00 175.26 177.76 2ka9 s ARG 10 N -5.35 2.76 0.59 -4.83 0.52 0.25 -4.58 118.95 108.31 2ka9 s ARG 10 Ca 0.59 -0.13 0.29 0.00 -0.52 0.00 0.00 55.73 55.96 2ka9 s ARG 10 Cb -0.12 -4.84 1.42 0.00 0.52 0.00 0.00 34.95 31.93 2ka9 s ARG 10 CO 0.52 -2.94 1.82 0.78 0.02 0.00 0.00 175.30 175.50 2ka9 h GLY 11 N 16.41 0.00 0.00 -3.53 0.00 -1.87 -3.44 103.07 110.64 2ka9 h GLY 11 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2ka9 h GLY 11 CO 1.25 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.78 2ka9 n ASN 12 N -3.66 0.00 -1.54 0.19 2.85 -1.26 -4.93 115.26 106.92 2ka9 n ASN 12 Ca 0.11 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.46 2ka9 n ASN 12 Cb 0.80 0.00 0.19 0.00 1.24 0.00 0.00 39.78 42.00 2ka9 n ASN 12 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2ka9 n SER 13 N -0.29 3.05 0.00 1.20 2.88 -1.26 -5.04 113.62 114.16 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.79 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ka9 n GLY 14 N -1.12 1.33 0.12 0.46 0.00 -1.26 -4.96 105.19 99.76 2ka9 n GLY 14 Ca 0.42 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 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 0.44 -1.06 0.99 4.07 -1.92 -3.16 115.31 114.67 2ka9 h LEU 15 Ca 0.00 -0.89 0.00 0.00 0.08 0.00 0.00 57.88 57.07 2ka9 h LEU 15 Cb 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.60 2ka9 h LEU 15 CO 0.00 1.58 0.00 0.61 -1.08 0.00 0.00 178.44 179.55 2ka9 n GLY 16 N 1.73 0.39 3.51 0.83 0.00 -1.26 0.69 105.19 111.08 2ka9 n GLY 16 Ca -0.22 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 -0.45 -0.16 1.61 -0.12 -1.26 -2.05 117.98 113.55 2ka9 s PHE 17 Ca 0.00 0.54 -0.02 0.00 -0.05 0.00 0.00 56.93 57.40 2ka9 s PHE 17 Cb 0.00 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 2ka9 s PHE 17 CO 0.00 -0.56 -0.10 -1.12 -0.05 0.00 0.00 175.22 173.39 2ka9 s SER 18 N -1.90 4.17 0.32 1.98 0.01 0.26 -4.90 113.70 113.64 2ka9 s SER 18 Ca -0.01 -0.33 0.07 0.00 1.31 0.00 0.00 55.95 57.00 2ka9 s SER 18 Cb -0.01 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 2ka9 s SER 18 CO -0.03 0.11 0.26 0.27 0.41 0.00 0.00 173.24 174.27 2ka9 s ILE 19 N 0.68 3.67 -0.25 1.44 -5.25 -1.26 0.13 121.20 120.36 2ka9 s ILE 19 Ca -0.05 -1.40 -0.26 0.00 -0.99 0.00 0.00 60.65 57.95 2ka9 s ILE 19 Cb -0.15 -3.21 0.12 0.00 2.95 0.00 0.00 42.46 42.17 2ka9 s ILE 19 CO 0.02 -0.21 1.03 0.00 -1.79 0.00 0.00 174.94 173.99 2ka9 s ALA 20 N -2.28 -1.97 0.00 2.27 0.00 -1.15 -4.79 121.76 113.85 2ka9 s ALA 20 Ca 0.39 1.80 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2ka9 s ALA 20 Cb -0.06 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2ka9 s ALA 20 CO 0.26 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2ka9 n GLY 21 N 1.86 0.54 0.00 0.00 0.00 -1.26 -3.60 105.19 102.73 2ka9 n GLY 21 Ca -0.12 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 3.63 0.43 -0.02 0.00 -1.23 -4.38 105.19 103.62 2ka9 n GLY 22 Ca 0.00 -1.28 0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 0.28 0.10 2.61 1.03 -1.35 0.07 112.91 115.64 2ka9 h THR 23 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.04 2ka9 h THR 23 Cb 0.00 0.48 -0.03 0.00 -1.07 0.00 0.00 68.15 67.53 2ka9 h THR 23 CO 0.00 0.00 -2.02 -0.67 -0.01 0.00 0.00 175.52 172.82 2ka9 n ASP 24 N -3.61 2.09 -3.69 0.00 2.03 -1.26 -4.66 116.55 107.44 2ka9 n ASP 24 Ca 0.12 0.18 -0.27 0.00 0.52 0.00 0.00 54.79 55.34 2ka9 n ASP 24 Cb 0.87 -0.81 -0.11 0.00 -0.72 0.00 0.00 41.12 40.36 2ka9 n ASP 24 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2ka9 n ASN 25 N -3.54 2.57 -4.60 1.67 3.02 -0.09 -5.10 115.26 109.20 2ka9 n ASN 25 Ca -0.34 -3.13 -0.48 0.00 -0.03 0.00 0.00 54.58 50.60 2ka9 n ASN 25 Cb 1.01 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 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 1.79 1.33 0.27 3.52 -0.02 -0.58 -3.49 135.00 137.82 2ka9 n PRO 26 Ca 0.24 0.47 0.16 0.00 -2.02 0.00 0.00 63.50 62.35 2ka9 n PRO 26 Cb 0.39 -1.99 0.71 0.00 -0.02 0.00 0.00 33.50 32.59 2ka9 n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ka9 h HIS 27 N 3.43 0.00 0.00 6.00 2.76 -1.81 -3.22 115.15 122.31 2ka9 h HIS 27 Ca -0.43 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.58 2ka9 h HIS 27 Cb 1.33 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.26 2ka9 h HIS 27 CO 0.54 0.06 -1.59 0.44 -1.30 0.00 0.00 177.93 176.08 2ka9 n ILE 28 N -3.22 0.59 -0.18 6.26 -5.35 -1.26 -4.96 119.36 111.24 2ka9 n ILE 28 Ca -0.00 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 2ka9 n ILE 28 Cb 0.29 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 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 2.56 1.69 1.31 3.28 0.00 -1.22 -4.96 105.19 107.85 2ka9 n GLY 29 Ca -0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2ka9 n GLY 29 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ka9 n ASP 30 N 0.20 -0.22 -3.15 1.61 5.68 -1.26 -5.06 116.55 114.36 2ka9 n ASP 30 Ca 0.00 -0.90 0.03 0.00 -0.50 0.00 0.00 54.79 53.42 2ka9 n ASP 30 Cb 0.04 0.09 -0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2ka9 s ASP 31 N -0.18 -1.41 0.62 -1.12 -1.08 -1.26 -5.01 116.67 107.23 2ka9 s ASP 31 Ca 0.01 -0.20 0.31 0.00 -0.52 0.00 0.00 52.55 52.15 2ka9 s ASP 31 Cb 0.05 1.84 1.72 0.00 -1.46 0.00 0.00 42.92 45.06 2ka9 s ASP 31 CO -0.01 -0.21 2.06 1.55 0.52 0.00 0.00 175.17 179.07 2ka9 h PRO 32 N 7.40 0.00 -7.31 4.34 0.13 -1.89 -3.43 132.00 131.23 2ka9 h PRO 32 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2ka9 h PRO 32 Cb 1.19 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.41 2ka9 h PRO 32 CO 0.09 0.00 0.36 0.45 -0.23 0.00 0.00 178.00 178.68 2ka9 s SER 33 N -5.31 5.31 0.09 1.44 0.15 -1.17 -3.36 113.70 110.85 2ka9 s SER 33 Ca -0.04 1.67 0.03 0.00 0.70 0.00 0.00 55.95 58.31 2ka9 s SER 33 Cb 0.14 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 2ka9 s SER 33 CO 0.47 -1.49 0.10 -0.63 1.20 0.00 0.00 173.24 172.89 2ka9 s ILE 34 N -2.94 4.60 -0.01 6.45 1.09 -1.26 -4.62 121.20 124.51 2ka9 s ILE 34 Ca 0.59 -0.78 -0.04 0.00 -1.10 0.00 0.00 60.65 59.33 2ka9 s ILE 34 Cb -0.15 -3.24 0.00 0.00 -1.06 0.00 0.00 42.46 38.01 2ka9 s ILE 34 CO 0.53 0.09 0.08 0.72 -0.10 0.00 0.00 174.94 176.25 2ka9 s PHE 35 N -1.45 0.02 0.43 3.97 -0.71 -1.24 -3.76 117.98 115.24 2ka9 s PHE 35 Ca 0.30 -0.04 -0.23 0.00 -1.04 0.00 0.00 56.93 55.93 2ka9 s PHE 35 Cb -0.12 -0.04 -0.09 0.00 -1.21 0.00 0.00 43.02 41.57 2ka9 s PHE 35 CO 0.23 -0.14 1.06 0.42 -1.34 0.00 0.00 175.22 175.44 2ka9 s ILE 36 N -0.68 3.66 -0.24 -4.49 1.01 0.35 -2.93 121.20 117.88 2ka9 s ILE 36 Ca -0.08 1.19 -0.11 0.00 0.00 0.00 0.00 60.65 61.66 2ka9 s ILE 36 Cb -0.05 -3.58 -0.16 0.00 0.01 0.00 0.00 42.46 38.68 2ka9 s ILE 36 CO 0.00 -0.07 -0.12 0.35 0.00 0.00 0.00 174.94 175.11 2ka9 n THR 37 N -0.39 1.55 -3.61 2.92 -2.24 0.35 -1.79 114.28 111.07 2ka9 n THR 37 Ca 0.07 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 2ka9 n THR 37 Cb 0.50 -1.79 -0.05 0.00 -2.10 0.00 0.00 70.33 66.89 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 -2.49 1.05 -0.04 -0.78 0.00 -1.22 -4.75 119.74 111.51 2ka9 s LYS 38 Ca -0.34 -0.56 0.02 0.00 0.00 0.00 0.00 55.97 55.09 2ka9 s LYS 38 Cb 0.11 0.47 -0.03 0.00 0.00 0.00 0.00 37.83 38.37 2ka9 s LYS 38 CO 0.57 -0.40 -0.08 0.42 0.00 0.00 0.00 175.35 175.86 2ka9 s ILE 39 N -3.36 3.60 -0.28 3.79 1.01 -1.26 0.91 121.20 125.60 2ka9 s ILE 39 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 59.80 2ka9 s ILE 39 Cb 0.01 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2ka9 s ILE 39 CO -0.09 0.54 0.87 -0.63 0.00 0.00 0.00 174.94 175.63 2ka9 s ILE 40 N -0.85 4.75 -0.78 2.92 1.01 -0.87 -4.93 121.20 122.45 2ka9 s ILE 40 Ca 0.14 1.46 -0.28 0.00 0.00 0.00 0.00 60.65 61.97 2ka9 s ILE 40 Cb -0.11 -4.19 -0.26 0.00 0.01 0.00 0.00 42.46 37.90 2ka9 s ILE 40 CO 0.03 -0.23 1.95 -2.65 0.00 0.00 0.00 174.94 174.04 2ka9 n PRO 41 N 6.26 0.25 0.00 2.79 -0.02 -1.26 -2.45 135.00 140.56 2ka9 n PRO 41 Ca 0.06 -1.58 0.00 0.00 -2.02 0.00 0.00 63.50 59.96 2ka9 n PRO 41 Cb 0.48 -3.49 0.00 0.00 -0.02 0.00 0.00 33.50 30.47 2ka9 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 42 N 5.73 0.25 2.68 -1.23 0.00 -1.26 -5.13 105.19 106.23 2ka9 n GLY 42 Ca 0.43 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 2ka9 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 43 N 0.00 -3.48 0.12 -0.02 0.00 -1.03 -4.86 105.19 95.93 2ka9 n GLY 43 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 2ka9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 44 N -3.24 0.73 -0.72 4.61 0.00 0.18 -3.23 119.26 117.59 2ka9 h ALA 44 Ca -0.30 -0.61 0.08 0.00 0.00 0.00 0.00 54.91 54.08 2ka9 h ALA 44 Cb 1.01 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2ka9 h ALA 44 CO 0.18 0.84 0.39 0.00 0.00 0.00 0.00 179.25 180.66 2ka9 h ALA 45 N 1.33 0.99 0.00 0.00 0.00 -0.79 0.89 119.26 121.68 2ka9 h ALA 45 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2ka9 h ALA 45 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2ka9 h ALA 45 CO 0.09 0.04 -0.40 0.00 0.00 0.00 0.00 179.25 178.97 2ka9 h ALA 46 N 1.40 1.15 -0.25 0.00 0.00 -1.76 1.00 119.26 120.80 2ka9 h ALA 46 Ca 0.34 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2ka9 h ALA 46 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ka9 h ALA 46 CO -0.22 0.50 -0.53 0.37 0.00 0.00 0.00 179.25 179.37 2ka9 h GLN 47 N 0.00 0.80 0.00 0.00 5.75 -1.04 -3.16 115.11 117.46 2ka9 h GLN 47 Ca -0.00 -0.53 -0.13 0.00 -0.15 0.00 0.00 58.65 57.84 2ka9 h GLN 47 Cb 0.80 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 2ka9 h GLN 47 CO 0.05 1.15 -1.05 -0.44 -2.65 0.00 0.00 178.83 175.90 2ka9 h ASP 48 N 0.55 0.00 0.00 -0.69 5.19 -0.73 -3.48 116.42 117.26 2ka9 h ASP 48 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2ka9 h ASP 48 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2ka9 h ASP 48 CO 0.12 0.50 0.00 0.61 -3.12 0.00 0.00 179.24 177.35 2ka9 n GLY 49 N 1.32 2.90 3.29 2.75 0.00 0.34 -4.71 105.19 111.08 2ka9 n GLY 49 Ca -0.05 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 -1.29 0.00 1.61 3.00 -1.16 -4.56 116.66 114.26 2ka9 n ARG 50 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 2ka9 n ARG 50 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 32.46 28.92 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 -2.82 0.00 -4.76 0.55 -0.00 -1.26 -4.63 117.00 104.08 2ka9 n LEU 51 Ca 0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.70 2ka9 n LEU 51 Cb 0.35 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.79 2ka9 n LEU 51 CO 0.52 -0.04 0.90 -0.13 -0.00 0.00 0.00 177.39 178.64 2ka9 s ARG 52 N 0.00 3.39 0.20 1.47 1.81 -1.26 -4.94 118.95 119.62 2ka9 s ARG 52 Ca 0.00 1.97 -0.02 0.00 -1.72 0.00 0.00 55.73 55.96 2ka9 s ARG 52 Cb 0.00 -2.28 0.13 0.00 -0.45 0.00 0.00 34.95 32.36 2ka9 s ARG 52 CO 0.00 -0.91 1.52 -0.39 -0.68 0.00 0.00 175.30 174.84 2ka9 h VAL 53 N 1.56 1.32 0.00 3.52 -1.51 -1.82 -3.03 116.25 116.29 2ka9 h VAL 53 Ca -0.50 -1.77 0.00 0.00 -1.23 0.00 0.00 66.70 63.20 2ka9 h VAL 53 Cb 1.28 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.19 2ka9 h VAL 53 CO 0.58 0.55 0.21 0.78 -1.23 0.00 0.00 177.57 178.47 2ka9 h ASN 54 N 0.42 0.00 -2.70 4.19 2.35 -1.65 1.02 115.58 119.22 2ka9 h ASN 54 Ca 0.01 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.42 2ka9 h ASN 54 Cb 1.07 0.00 0.20 0.00 0.05 0.00 0.00 38.32 39.63 2ka9 h ASN 54 CO 0.10 0.00 -0.20 -0.90 -1.65 0.00 0.00 177.43 174.78 2ka9 n ASP 55 N -2.16 -3.62 -3.68 5.81 5.75 -1.15 -4.57 116.55 112.94 2ka9 n ASP 55 Ca -0.01 -0.67 -0.27 0.00 -0.01 0.00 0.00 54.79 53.84 2ka9 n ASP 55 Cb 0.24 -0.97 -0.17 0.00 -1.03 0.00 0.00 41.12 39.19 2ka9 n ASP 55 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2ka9 s SER 56 N -2.70 2.60 -0.64 -1.12 0.15 -1.09 -3.44 113.70 107.46 2ka9 s SER 56 Ca 0.59 -0.70 -0.26 0.00 0.70 0.00 0.00 55.95 56.29 2ka9 s SER 56 Cb -0.12 -0.43 -0.11 0.00 -1.71 0.00 0.00 66.02 63.65 2ka9 s SER 56 CO 0.52 -0.32 2.42 2.30 1.20 0.00 0.00 173.24 179.36 2ka9 n ILE 57 N 5.15 -0.05 0.29 6.45 -5.35 -1.25 -2.53 119.36 122.09 2ka9 n ILE 57 Ca -0.08 -0.65 0.17 0.00 -0.27 0.00 0.00 62.75 61.92 2ka9 n ILE 57 Cb 0.48 -2.34 0.88 0.00 -1.74 0.00 0.00 39.64 36.92 2ka9 n ILE 57 CO 0.00 0.00 0.00 0.17 -1.76 0.00 0.00 176.55 174.96 2ka9 h LEU 58 N 20.55 0.00 -7.13 7.28 -0.00 -0.86 -3.38 115.31 131.76 2ka9 h LEU 58 Ca -0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.68 2ka9 h LEU 58 Cb 1.15 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.62 2ka9 h LEU 58 CO 1.11 0.05 0.06 -0.36 -0.00 0.00 0.00 178.44 179.29 2ka9 s PHE 59 N -4.05 -0.55 -0.06 0.17 0.40 0.12 -3.64 117.98 110.36 2ka9 s PHE 59 Ca -0.03 1.02 -0.03 0.00 -0.60 0.00 0.00 56.93 57.30 2ka9 s PHE 59 Cb 0.12 0.31 0.04 0.00 0.51 0.00 0.00 43.02 44.00 2ka9 s PHE 59 CO 0.52 -0.51 0.13 0.14 0.70 0.00 0.00 175.22 176.19 2ka9 s VAL 60 N -0.97 -0.13 -1.51 -0.44 -7.23 0.14 0.13 120.40 110.40 2ka9 s VAL 60 Ca -0.10 0.27 -0.04 0.00 -1.81 0.00 0.00 61.98 60.30 2ka9 s VAL 60 Cb -0.02 -0.23 0.04 0.00 0.56 0.00 0.00 36.38 36.73 2ka9 s VAL 60 CO 0.07 0.11 0.39 0.59 -0.31 0.00 0.00 175.10 175.95 2ka9 n ASN 61 N 4.68 -0.59 -1.60 4.85 3.02 -1.22 0.12 115.26 124.52 2ka9 n ASN 61 Ca -0.17 -1.08 -0.16 0.00 -0.03 0.00 0.00 54.58 53.14 2ka9 n ASN 61 Cb 0.51 -2.62 -0.03 0.00 -0.61 0.00 0.00 39.78 37.02 2ka9 n ASN 61 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ka9 n GLU 62 N -4.43 -1.22 -5.10 3.52 1.02 -1.26 -4.99 120.64 108.17 2ka9 n GLU 62 Ca -0.23 0.89 -0.30 0.00 -0.02 0.00 0.00 57.16 57.50 2ka9 n GLU 62 Cb 0.65 -5.21 -0.15 0.00 -0.02 0.00 0.00 31.44 26.71 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka9 s VAL 63 N -2.72 2.01 -0.14 2.62 1.01 0.32 -5.12 120.40 118.38 2ka9 s VAL 63 Ca 0.00 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 60.59 2ka9 s VAL 63 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2ka9 s VAL 63 CO 0.00 0.47 0.59 -0.62 0.00 0.00 0.00 175.10 175.54 2ka9 s ASP 64 N -0.84 6.75 -0.07 3.32 -1.08 -1.26 0.26 116.67 123.75 2ka9 s ASP 64 Ca 0.10 0.91 0.21 0.00 -0.52 0.00 0.00 52.55 53.25 2ka9 s ASP 64 Cb -0.10 -2.34 0.39 0.00 -1.46 0.00 0.00 42.92 39.41 2ka9 s ASP 64 CO 0.00 -0.13 1.15 1.33 0.52 0.00 0.00 175.17 178.04 2ka9 n VAL 65 N 4.09 0.26 1.63 1.11 0.24 -1.24 -4.87 118.33 119.55 2ka9 n VAL 65 Ca -0.04 -1.26 0.10 0.00 -2.04 0.00 0.00 64.34 61.11 2ka9 n VAL 65 Cb 0.51 0.99 0.59 0.00 -1.47 0.00 0.00 33.84 34.46 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 0.11 0.81 -2.43 7.34 1.85 -1.26 -3.87 116.66 119.21 2ka9 n ARG 66 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 2ka9 n ARG 66 Cb 1.00 -1.38 0.02 0.00 -1.05 0.00 0.00 32.46 31.05 2ka9 n ARG 66 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2ka9 n GLU 67 N -0.88 0.42 -4.58 2.89 0.28 -1.26 -3.01 120.64 114.50 2ka9 n GLU 67 Ca 0.15 -0.78 -0.33 0.00 -0.16 0.00 0.00 57.16 56.03 2ka9 n GLU 67 Cb 0.07 0.03 -0.11 0.00 1.43 0.00 0.00 31.44 32.86 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ka9 s VAL 68 N 0.06 3.68 0.97 3.84 -7.23 -1.25 -4.58 120.40 115.90 2ka9 s VAL 68 Ca 0.06 -0.56 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 2ka9 s VAL 68 Cb 0.14 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.56 2ka9 s VAL 68 CO -0.03 0.54 0.15 0.35 -0.31 0.00 0.00 175.10 175.80 2ka9 n THR 69 N 2.03 0.00 -0.17 5.32 -2.24 -1.26 -1.77 114.28 116.19 2ka9 n THR 69 Ca -0.17 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.35 2ka9 n THR 69 Cb 0.53 -0.51 0.07 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.51 -0.05 -0.95 4.78 2.76 -1.83 -0.45 115.15 117.90 2ka9 h HIS 70 Ca -0.44 0.04 0.15 0.00 -2.20 0.00 0.00 60.37 57.92 2ka9 h HIS 70 Cb 1.29 0.11 -0.10 0.00 1.55 0.00 0.00 27.41 30.26 2ka9 h HIS 70 CO 0.34 -0.14 0.56 0.77 -1.30 0.00 0.00 177.93 178.16 2ka9 h SER 71 N 0.11 0.75 -0.26 3.26 0.02 -1.94 0.30 113.55 115.78 2ka9 h SER 71 Ca 0.27 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2ka9 h SER 71 Cb 0.41 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2ka9 h SER 71 CO -0.45 0.32 0.09 0.00 -1.14 0.00 0.00 176.83 175.65 2ka9 h ALA 72 N 1.58 1.55 -0.25 3.77 0.00 -1.39 0.18 119.26 124.69 2ka9 h ALA 72 Ca 0.52 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 55.11 2ka9 h ALA 72 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ka9 h ALA 72 CO -0.34 0.34 -0.60 0.00 0.00 0.00 0.00 179.25 178.65 2ka9 h ALA 73 N 1.64 0.41 -0.43 0.00 0.00 -0.11 -1.39 119.26 119.37 2ka9 h ALA 73 Ca 0.11 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 2ka9 h ALA 73 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ka9 h ALA 73 CO -0.01 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.20 2ka9 h VAL 74 N 0.63 1.23 -0.13 0.00 2.07 -0.13 -1.40 116.25 118.52 2ka9 h VAL 74 Ca -0.00 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 2ka9 h VAL 74 Cb 1.22 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2ka9 h VAL 74 CO 0.13 0.32 -0.44 -0.33 0.02 0.00 0.00 177.57 177.27 2ka9 h GLU 75 N 0.66 0.30 -0.30 1.57 5.08 -0.50 0.41 114.58 121.79 2ka9 h GLU 75 Ca 0.13 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2ka9 h GLU 75 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ka9 h GLU 75 CO 0.01 0.69 -0.24 0.00 -1.00 0.00 0.00 179.01 178.47 2ka9 h ALA 76 N 1.29 0.43 0.00 3.43 0.00 -0.60 0.36 119.26 124.18 2ka9 h ALA 76 Ca 0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2ka9 h ALA 76 Cb 0.88 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2ka9 h ALA 76 CO 0.07 0.41 -0.58 1.37 0.00 0.00 0.00 179.25 180.53 2ka9 h LEU 77 N 0.44 0.00 -0.11 0.00 8.10 -1.18 0.13 115.31 122.69 2ka9 h LEU 77 Ca 0.05 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.93 2ka9 h LEU 77 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 2ka9 h LEU 77 CO 0.06 0.58 -0.38 0.50 -4.11 0.00 0.00 178.44 175.09 2ka9 h LYS 78 N 0.00 0.46 -0.86 0.17 3.64 0.02 -3.13 116.57 116.88 2ka9 h LYS 78 Ca -0.01 -0.34 -0.42 0.00 -1.27 0.00 0.00 60.65 58.61 2ka9 h LYS 78 Cb 1.29 0.06 -0.25 0.00 -0.41 0.00 0.00 32.23 32.91 2ka9 h LYS 78 CO 0.07 0.97 0.49 0.39 -2.27 0.00 0.00 179.45 179.10 2ka9 n GLU 79 N -4.34 2.37 0.10 1.90 1.02 0.12 -4.45 120.64 117.37 2ka9 n GLU 79 Ca -0.07 -3.05 -0.04 0.00 -0.02 0.00 0.00 57.16 53.98 2ka9 n GLU 79 Cb 0.53 -2.12 0.04 0.00 -0.02 0.00 0.00 31.44 29.87 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 1.21 0.70 0.00 0.62 0.00 -0.68 -3.48 119.26 117.63 2ka9 h ALA 80 Ca 0.52 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ka9 h ALA 80 Cb 2.60 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.27 2ka9 h ALA 80 CO 0.94 0.98 0.00 0.41 0.00 0.00 0.00 179.25 181.58 2ka9 n GLY 81 N 0.75 -0.68 0.67 0.00 0.00 -1.26 -4.13 105.19 100.54 2ka9 n GLY 81 Ca -0.01 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 44.87 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 0.70 2.68 -3.25 1.61 7.64 -1.26 -4.65 113.62 117.08 2ka9 n SER 82 Ca 0.00 -1.80 -0.04 0.00 1.01 0.00 0.00 58.87 58.03 2ka9 n SER 82 Cb 0.00 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.06 -0.78 -0.40 0.44 1.01 -1.26 0.84 121.20 119.99 2ka9 s ILE 83 Ca 0.23 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 2ka9 s ILE 83 Cb 0.13 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 42.08 2ka9 s ILE 83 CO 0.18 -0.18 0.49 0.68 0.00 0.00 0.00 174.94 176.11 2ka9 s VAL 84 N 2.08 5.02 -1.25 2.92 -7.23 -1.04 -4.90 120.40 116.01 2ka9 s VAL 84 Ca 0.14 -0.08 -0.08 0.00 -1.81 0.00 0.00 61.98 60.15 2ka9 s VAL 84 Cb -0.09 -4.04 0.19 0.00 0.56 0.00 0.00 36.38 32.99 2ka9 s VAL 84 CO -0.14 -0.39 1.88 -1.14 -0.31 0.00 0.00 175.10 175.00 2ka9 n ARG 85 N 5.75 3.91 -3.13 4.82 3.00 -1.26 -1.23 116.66 128.52 2ka9 n ARG 85 Ca -0.06 -3.69 -0.30 0.00 -0.00 0.00 0.00 57.85 53.80 2ka9 n ARG 85 Cb 0.48 -2.82 -0.04 0.00 0.00 0.00 0.00 32.46 30.09 2ka9 n ARG 85 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2ka9 s LEU 86 N -0.88 3.97 -0.23 6.15 0.05 0.12 -3.42 118.68 124.45 2ka9 s LEU 86 Ca 0.40 0.94 -0.05 0.00 0.05 0.00 0.00 54.13 55.47 2ka9 s LEU 86 Cb 0.10 -3.78 -0.02 0.00 -2.05 0.00 0.00 46.19 40.45 2ka9 s LEU 86 CO 0.01 -0.27 0.01 -0.47 -0.55 0.00 0.00 176.35 175.07 2ka9 s TYR 87 N -2.17 3.01 0.38 3.48 6.14 0.36 0.10 117.35 128.65 2ka9 s TYR 87 Ca 0.48 -0.71 0.08 0.00 0.64 0.00 0.00 57.07 57.56 2ka9 s TYR 87 Cb -0.11 -2.16 -0.06 0.00 0.42 0.00 0.00 41.96 40.05 2ka9 s TYR 87 CO 0.29 -0.46 0.03 0.14 0.64 0.00 0.00 175.55 176.19 2ka9 s VAL 88 N 1.52 2.26 -0.23 3.14 -7.23 -0.85 0.15 120.40 119.17 2ka9 s VAL 88 Ca 0.06 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2ka9 s VAL 88 Cb -0.15 -2.89 0.11 0.00 0.56 0.00 0.00 36.38 34.02 2ka9 s VAL 88 CO -0.00 -0.08 0.29 0.00 -0.31 0.00 0.00 175.10 175.00 2ka9 s MET 89 N -3.74 0.27 -0.33 4.82 0.23 -1.05 -1.53 119.30 117.96 2ka9 s MET 89 Ca 0.36 0.31 -0.08 0.00 -1.03 0.00 0.00 55.69 55.25 2ka9 s MET 89 Cb 0.05 -0.87 0.02 0.00 -1.53 0.00 0.00 34.83 32.51 2ka9 s MET 89 CO 0.19 -0.68 0.13 0.50 -2.03 0.00 0.00 175.02 173.13 2ka9 s ARG 90 N 2.42 2.87 0.39 3.16 3.52 -0.78 -2.68 118.95 127.85 2ka9 s ARG 90 Ca 0.09 -1.02 -0.25 0.00 -0.13 0.00 0.00 55.73 54.43 2ka9 s ARG 90 Cb -0.15 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.63 2ka9 s ARG 90 CO -0.15 -0.59 1.09 1.03 -0.81 0.00 0.00 175.30 175.86 2ka9 s ARG 91 N 1.49 4.17 -0.95 5.12 0.52 -1.26 -2.57 118.95 125.47 2ka9 s ARG 91 Ca 0.01 1.62 -0.01 0.00 -0.52 0.00 0.00 55.73 56.83 2ka9 s ARG 91 Cb -0.19 -2.63 0.28 0.00 0.52 0.00 0.00 34.95 32.93 2ka9 s ARG 91 CO 0.04 -0.16 1.18 1.63 0.02 0.00 0.00 175.30 178.01 2ka9 n LYS 92 N 0.07 3.69 -2.55 3.54 4.76 -1.26 -4.90 118.16 121.52 2ka9 n LYS 92 Ca 0.04 -4.57 -0.39 0.00 -2.87 0.00 0.00 58.31 50.52 2ka9 n LYS 92 Cb 0.48 -2.44 -0.05 0.00 -1.84 0.00 0.00 35.03 31.19 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 -2.45 4.49 0.00 1.97 0.04 -1.26 -4.91 135.00 132.89 2ka9 s PRO 93 Ca 0.33 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2ka9 s PRO 93 Cb 0.05 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2ka9 s PRO 93 CO 0.04 0.13 0.00 -2.30 0.04 0.00 0.00 177.00 174.90 2ka9 n PRO 94 N 0.74 2.04 -0.26 0.56 -0.02 -1.26 -4.88 135.00 131.92 2ka9 n PRO 94 Ca 0.01 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.55 2ka9 n PRO 94 Cb 0.47 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 34.13 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 2.60 0.00 3.55 0.00 -1.26 -4.73 120.51 117.67 2ka9 n ALA 95 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2ka9 n ALA 95 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2ka9 n ALA 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ka9 n GLU 96 N 0.60 -2.36 0.00 0.00 0.28 -1.26 -4.65 120.64 113.25 2ka9 n GLU 96 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2ka9 n GLU 96 Cb 0.42 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.29 2ka9 n GLU 96 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2ka9 n LYS 97 N -0.21 0.00 -2.84 3.44 0.00 -1.26 -4.30 118.16 112.99 2ka9 n LYS 97 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.99 2ka9 n LYS 97 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 2ka9 n LYS 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2ka9 s VAL 98 N 0.27 4.54 0.25 3.15 0.11 -1.26 0.04 120.40 127.50 2ka9 s VAL 98 Ca 0.00 1.20 0.03 0.00 -2.93 0.00 0.00 61.98 60.28 2ka9 s VAL 98 Cb 0.00 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2ka9 s VAL 98 CO 0.00 -0.37 0.02 -0.04 -3.33 0.00 0.00 175.10 171.38 2ka9 s MET 99 N -3.35 1.40 -0.28 1.54 -1.94 0.17 -4.93 119.30 111.92 2ka9 s MET 99 Ca 0.58 -1.73 0.02 0.00 -1.71 0.00 0.00 55.69 52.86 2ka9 s MET 99 Cb -0.10 -0.63 0.07 0.00 2.01 0.00 0.00 34.83 36.19 2ka9 s MET 99 CO 0.19 -0.13 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.82 2ka9 s GLU 100 N -3.89 1.76 0.21 2.03 8.01 -1.26 -1.89 118.70 123.68 2ka9 s GLU 100 Ca 0.31 -1.36 0.11 0.00 0.01 0.00 0.00 54.97 54.04 2ka9 s GLU 100 Cb 0.06 -2.82 -0.05 0.00 -4.31 0.00 0.00 34.13 27.02 2ka9 s GLU 100 CO 0.11 -0.70 -0.21 0.42 0.01 0.00 0.00 175.26 174.88 2ka9 s ILE 101 N 1.17 2.49 -0.16 -1.63 -1.09 -0.58 -4.98 121.20 116.42 2ka9 s ILE 101 Ca -0.02 -2.07 -0.02 0.00 -2.23 0.00 0.00 60.65 56.31 2ka9 s ILE 101 Cb -0.19 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.44 2ka9 s ILE 101 CO -0.07 -0.18 -0.07 -0.75 -1.23 0.00 0.00 174.94 172.63 2ka9 s LYS 102 N -2.88 3.48 -0.16 2.79 2.20 -1.26 0.11 119.74 124.03 2ka9 s LYS 102 Ca 0.23 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 2ka9 s LYS 102 Cb -0.07 -2.84 0.03 0.00 -1.51 0.00 0.00 37.83 33.44 2ka9 s LYS 102 CO 0.12 0.11 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.93 2ka9 s LEU 103 N 0.67 1.74 -0.03 5.43 0.20 0.65 -2.75 118.68 124.59 2ka9 s LEU 103 Ca -0.04 -0.56 -0.03 0.00 0.69 0.00 0.00 54.13 54.19 2ka9 s LEU 103 Cb -0.15 -1.13 -0.04 0.00 -0.43 0.00 0.00 46.19 44.44 2ka9 s LEU 103 CO 0.02 -0.09 0.16 0.27 -0.29 0.00 0.00 176.35 176.42 2ka9 s ILE 104 N 1.51 5.33 0.66 6.68 -4.36 -1.26 -2.01 121.20 127.75 2ka9 s ILE 104 Ca 0.03 -0.12 -0.16 0.00 -0.26 0.00 0.00 60.65 60.14 2ka9 s ILE 104 Cb -0.14 -3.45 0.00 0.00 1.25 0.00 0.00 42.46 40.13 2ka9 s ILE 104 CO -0.10 0.39 1.18 -0.75 0.24 0.00 0.00 174.94 175.91 2ka9 s LYS 105 N -1.71 2.63 0.12 0.37 2.47 0.32 -4.35 119.74 119.59 2ka9 s LYS 105 Ca 0.24 1.69 0.04 0.00 -1.56 0.00 0.00 55.97 56.38 2ka9 s LYS 105 Cb -0.12 -1.90 -0.04 0.00 -1.46 0.00 0.00 37.83 34.31 2ka9 s LYS 105 CO 0.15 -1.44 -0.10 0.20 0.16 0.00 0.00 175.35 174.32 2ka9 s GLY 106 N -2.00 0.95 0.44 5.54 0.00 0.39 -4.96 107.32 107.69 2ka9 s GLY 106 Ca 0.74 -1.34 0.18 0.00 0.00 0.00 0.00 44.72 44.30 2ka9 s GLY 106 CO 0.39 -1.43 1.91 -2.55 0.00 0.00 0.00 173.10 171.42 2ka9 h PRO 107 N 3.17 0.33 -0.65 2.90 0.11 -2.00 0.70 132.00 136.57 2ka9 h PRO 107 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2ka9 h PRO 107 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2ka9 h PRO 107 CO 0.58 0.22 0.00 0.36 -0.21 0.00 0.00 178.00 178.95 2ka9 n LYS 108 N -4.46 3.88 0.00 1.05 2.85 -1.26 -5.03 118.16 115.19 2ka9 n LYS 108 Ca 0.15 -2.49 0.00 0.00 -1.05 0.00 0.00 58.31 54.93 2ka9 n LYS 108 Cb 0.61 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ka9 n GLY 109 N 0.66 0.19 0.12 2.58 0.00 0.24 -4.41 105.19 104.57 2ka9 n GLY 109 Ca 0.22 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.06 0.99 4.07 -1.88 1.15 115.31 117.57 2ka9 h LEU 110 Ca 0.00 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.78 2ka9 h LEU 110 Cb 0.00 0.00 0.06 0.00 1.08 0.00 0.00 40.66 41.80 2ka9 h LEU 110 CO 0.00 0.03 -0.28 0.61 -1.08 0.00 0.00 178.44 177.73 2ka9 n GLY 111 N 1.22 0.17 3.64 0.83 0.00 -1.26 -2.59 105.19 107.20 2ka9 n GLY 111 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 2ka9 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 112 N -3.13 -0.06 -0.26 1.61 -0.71 -1.26 -4.06 117.98 110.11 2ka9 s PHE 112 Ca 0.03 0.12 -0.05 0.00 -1.04 0.00 0.00 56.93 56.00 2ka9 s PHE 112 Cb -0.00 0.49 0.01 0.00 -1.21 0.00 0.00 43.02 42.30 2ka9 s PHE 112 CO 0.26 -0.04 0.01 0.45 -1.34 0.00 0.00 175.22 174.55 2ka9 s SER 113 N -0.56 4.69 0.13 1.98 0.15 0.30 -4.99 113.70 115.39 2ka9 s SER 113 Ca 0.08 -0.62 0.07 0.00 0.70 0.00 0.00 55.95 56.18 2ka9 s SER 113 Cb -0.03 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 2ka9 s SER 113 CO -0.11 -0.12 -0.17 0.27 1.20 0.00 0.00 173.24 174.32 2ka9 s ILE 114 N 1.46 1.58 -0.15 6.45 -4.36 -1.26 0.11 121.20 125.03 2ka9 s ILE 114 Ca 0.03 -1.75 -0.06 0.00 -0.26 0.00 0.00 60.65 58.61 2ka9 s ILE 114 Cb -0.16 -1.64 0.06 0.00 1.25 0.00 0.00 42.46 41.98 2ka9 s ILE 114 CO -0.01 -0.31 0.33 0.00 0.24 0.00 0.00 174.94 175.19 2ka9 s ALA 115 N -1.90 -0.81 0.20 2.27 0.00 -0.23 -4.93 121.76 116.36 2ka9 s ALA 115 Ca 0.11 1.22 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 2ka9 s ALA 115 Cb -0.06 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2ka9 s ALA 115 CO 0.05 -0.46 0.34 0.41 0.00 0.00 0.00 175.76 176.09 2ka9 n GLY 116 N 4.81 1.99 0.00 0.00 0.00 -1.26 -2.21 105.19 108.51 2ka9 n GLY 116 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2ka9 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 117 N -0.29 -1.19 3.77 -0.02 0.00 -0.15 -3.32 105.19 104.00 2ka9 n GLY 117 Ca -0.02 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.84 4.71 0.00 1.61 1.01 -1.26 -4.03 120.40 121.60 2ka9 s VAL 118 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2ka9 s VAL 118 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2ka9 s VAL 118 CO 0.00 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2ka9 n GLY 119 N 1.36 3.34 0.00 4.51 0.00 -1.26 -4.14 105.19 109.00 2ka9 n GLY 119 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2ka9 n GLY 119 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ka9 n ASN 120 N 0.02 0.00 -4.90 1.61 6.94 -1.26 -5.08 115.26 112.60 2ka9 n ASN 120 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.34 2ka9 n ASN 120 Cb 0.00 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ka9 n GLN 121 N 0.00 0.63 0.01 -3.83 0.00 -1.26 -4.58 117.38 108.35 2ka9 n GLN 121 Ca 0.00 -3.22 -0.10 0.00 0.00 0.00 0.00 57.00 53.67 2ka9 n GLN 121 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 30.24 30.16 2ka9 n GLN 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2ka9 h HIS 122 N 0.29 -0.09 -3.28 2.61 -0.00 -1.72 -3.37 115.15 109.60 2ka9 h HIS 122 Ca -0.30 0.01 -0.74 0.00 -0.00 0.00 0.00 60.37 59.34 2ka9 h HIS 122 Cb 1.25 0.05 -0.25 0.00 -0.00 0.00 0.00 27.41 28.46 2ka9 h HIS 122 CO 0.00 -0.06 -0.34 0.42 -0.00 0.00 0.00 177.93 177.95 2ka9 s ILE 123 N -6.19 4.84 -0.82 6.26 1.01 -1.26 -5.01 121.20 120.02 2ka9 s ILE 123 Ca -0.13 -1.38 -0.22 0.00 0.00 0.00 0.00 60.65 58.92 2ka9 s ILE 123 Cb 0.08 -4.01 -0.19 0.00 0.01 0.00 0.00 42.46 38.35 2ka9 s ILE 123 CO 0.67 -0.67 2.37 -2.65 0.00 0.00 0.00 174.94 174.66 2ka9 n PRO 124 N 5.10 0.43 0.00 2.79 -0.02 -1.26 -0.80 135.00 141.24 2ka9 n PRO 124 Ca -0.12 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 2ka9 n PRO 124 Cb 0.42 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 6.29 2.00 3.04 -1.23 0.00 -1.26 -5.10 105.19 108.93 2ka9 n GLY 125 Ca 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.50 2ka9 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 126 N -2.00 -0.55 0.59 1.61 1.01 0.02 -5.00 116.67 112.35 2ka9 s ASP 126 Ca 0.00 -0.96 0.29 0.00 0.71 0.00 0.00 52.55 52.59 2ka9 s ASP 126 Cb 0.00 1.46 1.39 0.00 1.01 0.00 0.00 42.92 46.79 2ka9 s ASP 126 CO 0.00 -0.22 1.79 -0.55 0.21 0.00 0.00 175.17 176.40 2ka9 h ASN 127 N 7.15 0.00 -1.74 0.27 7.08 -1.82 -3.41 115.58 123.10 2ka9 h ASN 127 Ca 0.04 0.00 -0.64 0.00 -3.08 0.00 0.00 56.30 52.62 2ka9 h ASN 127 Cb 1.14 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.38 2ka9 h ASN 127 CO 0.15 0.00 1.21 -1.54 -2.08 0.00 0.00 177.43 175.17 2ka9 n SER 128 N -3.64 3.01 -4.67 6.14 3.41 -1.26 -0.97 113.62 115.64 2ka9 n SER 128 Ca 0.12 0.75 -0.42 0.00 -0.26 0.00 0.00 58.87 59.05 2ka9 n SER 128 Cb 0.85 -1.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 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 5.38 3.04 0.22 -1.33 1.01 -1.24 -4.77 121.20 123.50 2ka9 s ILE 129 Ca 0.99 0.16 0.09 0.00 0.00 0.00 0.00 60.65 61.89 2ka9 s ILE 129 Cb -0.72 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2ka9 s ILE 129 CO 0.50 -0.01 -0.07 -0.31 0.00 0.00 0.00 174.94 175.05 2ka9 s TYR 130 N 4.03 2.63 0.46 3.97 1.51 -0.97 -0.75 117.35 128.23 2ka9 s TYR 130 Ca 0.84 -0.23 -0.12 0.00 -1.01 0.00 0.00 57.07 56.55 2ka9 s TYR 130 Cb -0.41 -1.23 -0.06 0.00 -0.11 0.00 0.00 41.96 40.14 2ka9 s TYR 130 CO 0.38 0.57 0.85 0.08 -1.11 0.00 0.00 175.55 176.32 2ka9 s VAL 131 N -1.98 4.72 0.07 0.71 1.01 0.69 -1.07 120.40 124.56 2ka9 s VAL 131 Ca 0.27 0.77 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 2ka9 s VAL 131 Cb -0.08 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2ka9 s VAL 131 CO 0.17 -0.64 -0.00 0.35 0.00 0.00 0.00 175.10 174.97 2ka9 n THR 132 N -1.56 0.93 -3.77 3.92 -2.24 0.31 -3.96 114.28 107.91 2ka9 n THR 132 Ca 0.04 0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.99 2ka9 n THR 132 Cb 0.54 -1.57 -0.09 0.00 -2.10 0.00 0.00 70.33 67.11 2ka9 n THR 132 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ka9 s LYS 133 N -2.01 0.60 -0.01 -0.78 2.36 -1.13 -4.81 119.74 113.97 2ka9 s LYS 133 Ca -0.00 -0.11 0.01 0.00 -2.55 0.00 0.00 55.97 53.32 2ka9 s LYS 133 Cb 0.00 0.27 -0.00 0.00 -1.05 0.00 0.00 37.83 37.05 2ka9 s LYS 133 CO 0.00 -0.15 -0.04 0.42 1.55 0.00 0.00 175.35 177.13 2ka9 s ILE 134 N -1.08 0.33 0.88 5.43 1.01 -1.26 0.11 121.20 126.62 2ka9 s ILE 134 Ca -0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 2ka9 s ILE 134 Cb -0.05 -0.29 0.13 0.00 0.01 0.00 0.00 42.46 42.26 2ka9 s ILE 134 CO 0.03 0.10 1.23 -0.63 0.00 0.00 0.00 174.94 175.68 2ka9 s ILE 135 N 0.00 1.99 0.22 2.92 1.01 -1.26 -5.02 121.20 121.07 2ka9 s ILE 135 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 2ka9 s ILE 135 Cb -0.03 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 2ka9 s ILE 135 CO -0.00 0.00 0.55 -0.70 0.00 0.00 0.00 174.94 174.78 2ka9 s GLU 136 N -5.68 3.81 -1.60 2.79 2.12 -1.26 -4.07 118.70 114.81 2ka9 s GLU 136 Ca 0.67 0.29 0.00 0.00 0.36 0.00 0.00 54.97 56.29 2ka9 s GLU 136 Cb -0.08 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.63 2ka9 s GLU 136 CO 0.51 0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.97 2ka9 n GLY 137 N -0.04 0.48 3.89 -1.50 0.00 -1.26 -4.95 105.19 101.81 2ka9 n GLY 137 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2ka9 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ka9 s GLY 138 N -2.22 1.75 -0.01 -0.02 0.00 -1.26 -4.89 107.32 100.67 2ka9 s GLY 138 Ca 0.00 -1.13 -0.21 0.00 0.00 0.00 0.00 44.72 43.38 2ka9 s GLY 138 CO 0.00 -0.37 0.88 0.00 0.00 0.00 0.00 173.10 173.61 2ka9 h ALA 139 N -1.70 -0.77 -0.08 3.20 0.00 -1.82 -2.57 119.26 115.52 2ka9 h ALA 139 Ca -0.45 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 2ka9 h ALA 139 Cb 1.25 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2ka9 h ALA 139 CO 0.40 -0.72 -0.48 0.00 0.00 0.00 0.00 179.25 178.45 2ka9 h ALA 140 N -1.24 1.05 -0.45 0.00 0.00 -1.69 -1.48 119.26 115.45 2ka9 h ALA 140 Ca -0.08 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2ka9 h ALA 140 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2ka9 h ALA 140 CO 0.13 0.64 0.28 1.25 0.00 0.00 0.00 179.25 181.54 2ka9 h HIS 141 N 0.15 0.52 0.26 0.00 6.17 -1.75 1.61 115.15 122.12 2ka9 h HIS 141 Ca 0.01 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 2ka9 h HIS 141 Cb 0.91 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.67 2ka9 h HIS 141 CO 0.01 0.31 -0.13 0.87 0.71 0.00 0.00 177.93 179.71 2ka9 h LYS 142 N 0.56 -0.34 0.00 5.26 1.79 -1.36 -3.02 116.57 119.47 2ka9 h LYS 142 Ca 0.18 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2ka9 h LYS 142 Cb -0.01 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2ka9 h LYS 142 CO -0.07 -0.04 -0.02 -0.44 -1.08 0.00 0.00 179.45 177.80 2ka9 h ASP 143 N -0.99 0.00 -0.50 0.86 3.32 -1.27 -3.37 116.42 114.48 2ka9 h ASP 143 Ca -0.04 -0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.04 2ka9 h ASP 143 Cb 0.46 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.92 2ka9 h ASP 143 CO 0.06 0.55 -0.05 1.23 -1.72 0.00 0.00 179.24 179.30 2ka9 h GLY 144 N -1.00 0.45 -0.68 2.75 0.00 0.22 -3.44 103.07 101.36 2ka9 h GLY 144 Ca -0.00 0.11 -0.29 0.00 0.00 0.00 0.00 47.33 47.14 2ka9 h GLY 144 CO -0.00 -0.16 -0.27 0.54 0.00 0.00 0.00 176.54 176.65 2ka9 n ARG 145 N -5.29 -1.32 -3.02 4.80 1.74 0.20 -4.84 116.66 108.94 2ka9 n ARG 145 Ca 0.05 0.99 -0.44 0.00 -0.77 0.00 0.00 57.85 57.68 2ka9 n ARG 145 Cb 0.27 -5.25 0.00 0.00 -1.02 0.00 0.00 32.46 26.47 2ka9 n ARG 145 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2ka9 n LEU 146 N -1.64 5.56 -4.37 0.55 -0.00 -1.26 -5.02 117.00 110.82 2ka9 n LEU 146 Ca -0.14 -4.73 -0.30 0.00 -0.00 0.00 0.00 56.01 50.84 2ka9 n LEU 146 Cb 0.55 -1.53 0.28 0.00 -0.00 0.00 0.00 43.42 42.71 2ka9 n LEU 146 CO 0.22 1.07 0.46 0.00 -0.00 0.00 0.00 177.39 179.14 2ka9 s GLN 147 N 0.16 -2.38 0.17 1.47 -2.07 -1.26 -4.66 119.66 111.09 2ka9 s GLN 147 Ca 0.38 0.21 -0.33 0.00 -1.82 0.00 0.00 55.36 53.80 2ka9 s GLN 147 Cb -0.03 -1.44 -0.16 0.00 -1.09 0.00 0.00 33.01 30.29 2ka9 s GLN 147 CO -0.02 -4.53 1.10 -0.89 -1.32 0.00 0.00 175.29 169.63 2ka9 n ILE 148 N -5.40 0.97 0.00 3.63 5.41 -1.26 -1.95 119.36 120.76 2ka9 n ILE 148 Ca 0.11 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2ka9 n ILE 148 Cb 0.59 -0.72 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 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 1.93 2.17 3.77 7.39 0.00 -1.25 -5.03 105.19 114.17 2ka9 n GLY 149 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2ka9 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 150 N -0.25 6.45 -0.07 1.61 1.11 -0.82 -4.62 116.67 120.08 2ka9 s ASP 150 Ca 0.00 2.87 0.03 0.00 0.18 0.00 0.00 52.55 55.63 2ka9 s ASP 150 Cb 0.00 -2.66 0.00 0.00 1.07 0.00 0.00 42.92 41.34 2ka9 s ASP 150 CO 0.00 -0.78 -0.17 -1.59 1.18 0.00 0.00 175.17 173.81 2ka9 s LYS 151 N -2.04 2.11 -0.20 8.23 0.00 -1.25 -0.22 119.74 126.36 2ka9 s LYS 151 Ca 0.53 -0.61 -0.08 0.00 0.00 0.00 0.00 55.97 55.81 2ka9 s LYS 151 Cb -0.43 -1.71 -0.04 0.00 0.00 0.00 0.00 37.83 35.65 2ka9 s LYS 151 CO 0.57 0.14 0.07 0.96 0.00 0.00 0.00 175.35 177.10 2ka9 s ILE 152 N 0.36 4.73 -2.55 3.79 -5.25 0.07 0.20 121.20 122.55 2ka9 s ILE 152 Ca -0.12 -0.05 0.25 0.00 -0.99 0.00 0.00 60.65 59.74 2ka9 s ILE 152 Cb -0.15 -3.16 0.24 0.00 2.95 0.00 0.00 42.46 42.34 2ka9 s ILE 152 CO 0.05 0.42 1.37 0.00 -1.79 0.00 0.00 174.94 174.99 2ka9 n LEU 153 N 3.94 2.23 0.00 0.37 -0.00 0.59 -3.61 117.00 120.53 2ka9 n LEU 153 Ca -0.16 -0.75 0.00 0.00 -0.00 0.00 0.00 56.01 55.09 2ka9 n LEU 153 Cb 0.52 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2ka9 n LEU 153 CO 0.34 0.38 0.00 0.00 -0.00 0.00 0.00 177.39 178.11 2ka9 n ALA 154 N 0.57 0.00 -3.97 1.47 0.00 -1.18 -4.59 120.51 112.81 2ka9 n ALA 154 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 2ka9 n ALA 154 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 2.48 0.00 0.00 1.01 -1.15 0.97 120.40 121.71 2ka9 s VAL 155 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.69 2ka9 s VAL 155 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2ka9 s VAL 155 CO 0.00 -0.61 0.00 0.59 0.00 0.00 0.00 175.10 175.08 2ka9 n ASN 156 N 4.32 0.00 -0.78 3.32 3.02 0.26 -1.48 115.26 123.93 2ka9 n ASN 156 Ca 0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 2ka9 n ASN 156 Cb 0.42 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 2ka9 n ASN 156 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ka9 n SER 157 N 2.05 -0.60 -4.86 6.41 3.41 -1.26 -4.96 113.62 113.81 2ka9 n SER 157 Ca 0.00 -1.32 -0.26 0.00 -0.26 0.00 0.00 58.87 57.02 2ka9 n SER 157 Cb 0.00 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 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 4.87 -0.77 -3.33 1.01 -0.55 -5.07 120.40 116.56 2ka9 s VAL 158 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2ka9 s VAL 158 Cb 0.00 -3.49 0.20 0.00 0.00 0.00 0.00 36.38 33.09 2ka9 s VAL 158 CO 0.00 -0.10 0.64 0.61 0.00 0.00 0.00 175.10 176.25 2ka9 n GLY 159 N -0.42 4.18 0.68 4.51 0.00 -1.26 -2.91 105.19 109.98 2ka9 n GLY 159 Ca -0.08 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.32 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ka9 n LEU 160 N 1.89 1.43 -2.83 0.99 4.77 -1.26 -3.19 117.00 118.81 2ka9 n LEU 160 Ca 0.22 -0.72 -0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2ka9 n LEU 160 Cb 0.36 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2ka9 n LEU 160 CO 0.32 0.28 0.01 -0.62 -1.33 0.00 0.00 177.39 176.06 2ka9 n GLU 161 N 0.27 1.70 -1.16 3.23 1.02 -1.26 -4.08 120.64 120.36 2ka9 n GLU 161 Ca 0.00 -3.41 -0.00 0.00 -0.02 0.00 0.00 57.16 53.73 2ka9 n GLU 161 Cb 0.28 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ka9 n ASP 162 N -0.62 0.14 0.00 1.62 8.00 -1.19 -4.92 116.55 119.57 2ka9 n ASP 162 Ca 0.06 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.63 2ka9 n ASP 162 Cb 0.80 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 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 0.24 0.00 0.00 2.53 0.31 -1.26 -5.07 118.33 115.08 2ka9 n VAL 163 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2ka9 n VAL 163 Cb 0.91 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 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 -1.57 0.00 0.06 5.55 2.81 -1.26 -4.39 117.12 118.32 2ka9 n MET 164 Ca 0.00 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 56.07 2ka9 n MET 164 Cb 0.00 0.00 0.68 0.00 -0.71 0.00 0.00 33.22 33.19 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 0.00 -0.03 2.03 2.76 -1.71 0.14 115.15 118.34 2ka9 h HIS 165 Ca 0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 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 -0.17 1.49 -1.30 0.00 0.00 177.93 177.95 2ka9 h GLU 166 N 0.00 0.18 -0.23 5.26 4.81 -1.93 -0.57 114.58 122.10 2ka9 h GLU 166 Ca 0.20 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 2ka9 h GLU 166 Cb 0.79 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2ka9 h GLU 166 CO -0.00 0.81 -0.51 -0.44 -0.73 0.00 0.00 179.01 178.14 2ka9 h ASP 167 N -0.41 0.69 0.04 1.04 3.32 -1.76 -1.02 116.42 118.32 2ka9 h ASP 167 Ca -0.01 -0.35 -0.15 0.00 0.02 0.00 0.00 57.03 56.54 2ka9 h ASP 167 Cb 0.84 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2ka9 h ASP 167 CO 0.04 1.08 -0.50 0.00 -1.72 0.00 0.00 179.24 178.13 2ka9 h ALA 168 N 0.94 0.77 -0.28 3.45 0.00 -0.83 -1.28 119.26 122.04 2ka9 h ALA 168 Ca 0.02 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2ka9 h ALA 168 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2ka9 h ALA 168 CO 0.10 0.67 -0.57 0.28 0.00 0.00 0.00 179.25 179.73 2ka9 h VAL 169 N 0.41 1.27 -0.25 0.00 2.07 -0.97 -1.05 116.25 117.73 2ka9 h VAL 169 Ca 0.02 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 65.65 2ka9 h VAL 169 Cb 1.02 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2ka9 h VAL 169 CO 0.09 0.57 -0.40 0.00 0.02 0.00 0.00 177.57 177.85 2ka9 h ALA 170 N 0.67 0.84 0.00 1.67 0.00 -1.13 -0.71 119.26 120.60 2ka9 h ALA 170 Ca 0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2ka9 h ALA 170 Cb 1.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2ka9 h ALA 170 CO 0.13 0.65 -0.48 0.00 0.00 0.00 0.00 179.25 179.54 2ka9 h ALA 171 N 1.08 0.81 0.17 0.00 0.00 -1.19 -0.92 119.26 119.21 2ka9 h ALA 171 Ca 0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 54.91 54.21 2ka9 h ALA 171 Cb 0.91 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.64 2ka9 h ALA 171 CO 0.08 0.60 -1.35 1.37 0.00 0.00 0.00 179.25 179.95 2ka9 h LEU 172 N 0.00 0.58 -0.81 0.00 8.10 -1.00 -3.19 115.31 118.98 2ka9 h LEU 172 Ca -0.00 -0.63 -0.09 0.00 0.11 0.00 0.00 57.88 57.26 2ka9 h LEU 172 Cb 1.17 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 41.19 2ka9 h LEU 172 CO 0.06 1.49 -0.45 0.50 -4.11 0.00 0.00 178.44 175.94 2ka9 h LYS 173 N 0.10 0.00 0.00 0.17 1.63 -1.10 -2.67 116.57 114.70 2ka9 h LYS 173 Ca -0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2ka9 h LYS 173 Cb 2.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.68 2ka9 h LYS 173 CO 0.23 0.45 0.00 0.09 -3.45 0.00 0.00 179.45 176.76 2ka9 n ASN 174 N -3.56 0.00 -4.19 4.20 5.03 -0.35 -4.86 115.26 111.53 2ka9 n ASN 174 Ca -0.00 0.49 -0.35 0.00 0.87 0.00 0.00 54.58 55.59 2ka9 n ASN 174 Cb 0.56 -0.49 0.07 0.00 -1.02 0.00 0.00 39.78 38.90 2ka9 n ASN 174 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2ka9 n THR 175 N -1.49 0.06 -2.66 3.41 -2.24 -1.01 -4.98 114.28 105.36 2ka9 n THR 175 Ca 0.04 -0.37 -0.22 0.00 -2.27 0.00 0.00 64.05 61.23 2ka9 n THR 175 Cb 0.18 -0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.16 2.93 0.45 4.78 5.04 -1.26 -4.97 117.35 122.16 2ka9 s TYR 176 Ca 0.48 0.07 0.27 0.00 -2.44 0.00 0.00 57.07 55.45 2ka9 s TYR 176 Cb -0.20 -2.71 1.32 0.00 0.35 0.00 0.00 41.96 40.71 2ka9 s TYR 176 CO 0.75 -0.82 1.75 0.22 -1.34 0.00 0.00 175.55 176.11 2ka9 h ASP 177 N 0.08 0.26 -1.95 4.32 3.58 -1.94 -3.31 116.42 117.46 2ka9 h ASP 177 Ca -0.43 0.06 -0.36 0.00 0.42 0.00 0.00 57.03 56.72 2ka9 h ASP 177 Cb 1.29 0.03 -0.31 0.00 1.72 0.00 0.00 39.33 42.06 2ka9 h ASP 177 CO 0.54 0.01 -0.68 -0.69 -2.88 0.00 0.00 179.24 175.53 2ka9 s VAL 178 N -5.27 -0.34 0.09 2.25 1.01 -1.26 0.12 120.40 117.00 2ka9 s VAL 178 Ca -0.07 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.02 2ka9 s VAL 178 Cb 0.25 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2ka9 s VAL 178 CO 0.81 -0.58 -0.23 0.68 0.00 0.00 0.00 175.10 175.78 2ka9 s VAL 179 N 1.47 1.86 -0.09 2.92 -7.23 -0.85 -4.95 120.40 113.52 2ka9 s VAL 179 Ca 0.17 -1.51 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 2ka9 s VAL 179 Cb -0.15 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 2ka9 s VAL 179 CO -0.04 0.06 0.46 -0.72 -0.31 0.00 0.00 175.10 174.54 2ka9 s TYR 180 N -1.04 3.56 0.16 2.82 1.13 -1.26 -0.25 117.35 122.48 2ka9 s TYR 180 Ca 0.09 0.91 0.08 0.00 -1.41 0.00 0.00 57.07 56.73 2ka9 s TYR 180 Cb -0.10 -2.49 -0.04 0.00 -1.10 0.00 0.00 41.96 38.23 2ka9 s TYR 180 CO 0.04 0.28 -0.04 -0.51 -2.51 0.00 0.00 175.55 172.81 2ka9 s LEU 181 N 0.23 3.19 -0.36 -3.49 1.43 0.31 0.93 118.68 120.92 2ka9 s LEU 181 Ca 0.25 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 2ka9 s LEU 181 Cb -0.15 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2ka9 s LEU 181 CO 0.11 0.11 0.39 -0.54 0.23 0.00 0.00 176.35 176.65 2ka9 s LYS 182 N -2.80 3.49 0.31 1.70 1.02 0.27 -1.53 119.74 122.21 2ka9 s LYS 182 Ca 0.26 -0.44 0.07 0.00 0.02 0.00 0.00 55.97 55.87 2ka9 s LYS 182 Cb -0.09 -3.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.36 2ka9 s LYS 182 CO 0.17 -0.59 0.39 0.08 -0.92 0.00 0.00 175.35 174.47 2ka9 s VAL 183 N 2.08 4.17 -0.00 3.17 1.01 -0.79 -0.30 120.40 129.74 2ka9 s VAL 183 Ca 0.13 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 2ka9 s VAL 183 Cb -0.16 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2ka9 s VAL 183 CO 0.12 -0.21 0.17 0.00 0.00 0.00 0.00 175.10 175.18 2ka9 s ALA 184 N -2.17 -0.41 0.06 5.51 0.00 0.13 0.46 121.76 125.34 2ka9 s ALA 184 Ca 0.41 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.39 2ka9 s ALA 184 Cb -0.08 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2ka9 s ALA 184 CO 0.29 -0.22 -0.14 0.15 0.00 0.00 0.00 175.76 175.85 2ka9 s LYS 185 N -1.36 2.16 0.00 0.00 1.02 0.11 -3.89 119.74 117.77 2ka9 s LYS 185 Ca -0.14 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 54.89 2ka9 s LYS 185 Cb -0.07 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 2ka9 s LYS 185 CO 0.02 0.54 0.54 -0.35 -0.92 0.00 0.00 175.35 175.18 2ka9 n PRO 186 N 1.26 0.42 0.00 -1.68 -0.04 -1.26 -4.17 135.00 129.53 2ka9 n PRO 186 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2ka9 n PRO 186 Cb 0.52 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ka9 n SER 187 N 1.08 -0.50 -3.35 3.54 7.64 -1.26 -2.71 113.62 118.07 2ka9 n SER 187 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 2ka9 n SER 187 Cb 0.21 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 2ka9 n SER 187 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2ka9 n ASN 188 N -3.88 2.22 0.00 6.43 6.94 -1.26 -4.49 115.26 121.21 2ka9 n ASN 188 Ca 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 2ka9 n ASN 188 Cb 0.00 -0.83 0.00 0.00 -2.36 0.00 0.00 39.78 36.59 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23