#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t9j s LYS 4 N 0.00 4.07 0.21 -2.82 2.20 -1.26 -4.92 119.74 117.22 1t9j s LYS 4 Ca 0.00 -0.16 -0.06 0.00 -0.36 0.00 0.00 55.97 55.39 1t9j s LYS 4 Cb 0.00 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 1t9j s LYS 4 CO 0.00 -0.02 0.47 0.71 -0.36 0.00 0.00 175.35 176.15 1t9j s TYR 5 N 1.30 3.46 0.13 4.03 2.02 -1.26 -5.06 117.35 121.97 1t9j s TYR 5 Ca 0.10 0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 57.13 1t9j s TYR 5 Cb -0.14 -2.08 -0.07 0.00 -0.40 0.00 0.00 41.96 39.27 1t9j s TYR 5 CO 0.07 0.31 1.23 1.21 -1.57 0.00 0.00 175.55 176.80 1t9j s ASN 6 N -2.71 7.03 0.49 2.29 2.47 -1.26 -4.94 114.94 118.31 1t9j s ASN 6 Ca 0.43 2.18 0.17 0.00 0.42 0.00 0.00 52.86 56.07 1t9j s ASN 6 Cb -0.11 -2.59 1.20 0.00 -1.45 0.00 0.00 41.25 38.30 1t9j s ASN 6 CO 0.26 -0.46 2.04 0.50 -3.72 0.00 0.00 177.10 175.72 1t9j h LYS 7 N 6.03 0.16 -0.20 0.43 3.64 -1.98 -1.40 116.57 123.25 1t9j h LYS 7 Ca -0.43 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 58.75 1t9j h LYS 7 Cb 1.21 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1t9j h LYS 7 CO 0.79 0.11 -0.62 0.93 -2.27 0.00 0.00 179.45 178.39 1t9j h GLU 8 N 0.17 0.70 -0.42 1.90 5.08 -1.99 -0.24 114.58 119.78 1t9j h GLU 8 Ca 0.17 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1t9j h GLU 8 Cb 0.47 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1t9j h GLU 8 CO -0.03 1.10 0.11 0.35 -1.00 0.00 0.00 179.01 179.55 1t9j h PHE 9 N 0.52 0.70 -0.46 4.33 3.57 -1.73 -2.17 116.94 121.69 1t9j h PHE 9 Ca -0.01 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.33 1t9j h PHE 9 Cb 1.21 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1t9j h PHE 9 CO 0.06 0.66 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.68 1t9j h LEU 10 N 0.54 0.77 0.03 0.59 3.38 -1.20 -0.08 115.31 119.34 1t9j h LEU 10 Ca 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1t9j h LEU 10 Cb 0.30 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1t9j h LEU 10 CO 0.00 0.87 -0.02 -0.07 0.09 0.00 0.00 178.44 179.31 1t9j h LEU 11 N 0.73 -0.04 -0.19 1.67 3.38 -0.90 0.18 115.31 120.14 1t9j h LEU 11 Ca 0.13 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1t9j h LEU 11 Cb 0.51 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1t9j h LEU 11 CO 0.03 0.32 0.11 0.22 0.09 0.00 0.00 178.44 179.21 1t9j h TYR 12 N -0.39 0.24 -0.65 1.13 5.03 -1.37 -2.66 116.97 118.30 1t9j h TYR 12 Ca -0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1t9j h TYR 12 Cb 0.37 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 1t9j h TYR 12 CO 0.04 0.19 0.32 1.25 -1.32 0.00 0.00 178.16 178.64 1t9j h LEU 13 N 0.23 0.82 -1.05 2.82 5.85 -0.98 -0.62 115.31 122.37 1t9j h LEU 13 Ca 0.07 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1t9j h LEU 13 Cb 0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1t9j h LEU 13 CO -0.01 0.69 -0.07 0.00 -0.34 0.00 0.00 178.44 178.71 1t9j h ALA 14 N 1.44 1.21 -0.30 1.25 0.00 -0.72 0.22 119.26 122.35 1t9j h ALA 14 Ca 0.23 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1t9j h ALA 14 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1t9j h ALA 14 CO -0.03 0.51 -0.12 0.78 0.00 0.00 0.00 179.25 180.39 1t9j h GLY 15 N 0.93 0.67 1.02 0.00 0.00 -1.00 -0.16 103.07 104.54 1t9j h GLY 15 Ca 0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1t9j h GLY 15 CO 0.02 0.53 0.35 -2.75 0.00 0.00 0.00 176.54 174.70 1t9j h PHE 16 N 0.37 1.11 -0.40 5.60 3.57 -0.79 -1.50 116.94 124.90 1t9j h PHE 16 Ca 0.07 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 1t9j h PHE 16 Cb 0.63 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1t9j h PHE 16 CO 0.06 0.82 -0.07 0.28 -2.23 0.00 0.00 178.31 177.17 1t9j h VAL 17 N 1.08 1.27 -0.05 1.41 2.07 -0.48 0.11 116.25 121.65 1t9j h VAL 17 Ca 0.26 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1t9j h VAL 17 Cb 0.14 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1t9j h VAL 17 CO -0.03 0.38 0.06 0.44 0.02 0.00 0.00 177.57 178.44 1t9j h ASP 18 N 0.57 0.00 0.00 0.57 3.32 -0.64 0.82 116.42 121.06 1t9j h ASP 18 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1t9j h ASP 18 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1t9j h ASP 18 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1t9j n GLY 19 N -1.38 -0.27 0.91 2.75 0.00 -0.60 -4.70 105.19 101.90 1t9j n GLY 19 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1t9j n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t9j n ASP 20 N -1.92 2.80 -4.72 1.61 8.00 0.33 -5.00 116.55 117.64 1t9j n ASP 20 Ca 0.00 -1.91 -0.24 0.00 0.71 0.00 0.00 54.79 53.36 1t9j n ASP 20 Cb 0.00 -0.06 0.10 0.00 -0.02 0.00 0.00 41.12 41.14 1t9j n ASP 20 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1t9j s GLY 21 N -1.87 1.77 -0.23 0.44 0.00 0.28 -2.60 107.32 105.11 1t9j s GLY 21 Ca 0.32 -1.58 -0.15 0.00 0.00 0.00 0.00 44.72 43.32 1t9j s GLY 21 CO 0.31 -1.06 0.57 -0.45 0.00 0.00 0.00 173.10 172.47 1t9j s SER 22 N -4.68 -0.73 -0.30 1.64 0.15 0.73 -4.87 113.70 105.65 1t9j s SER 22 Ca 0.65 1.23 -0.03 0.00 0.70 0.00 0.00 55.95 58.49 1t9j s SER 22 Cb -0.06 1.13 0.04 0.00 -1.71 0.00 0.00 66.02 65.42 1t9j s SER 22 CO 0.44 -0.22 0.02 -0.63 1.20 0.00 0.00 173.24 174.05 1t9j s ILE 23 N 1.27 3.26 -0.05 6.45 1.01 -1.26 -0.48 121.20 131.40 1t9j s ILE 23 Ca -0.08 -1.15 0.06 0.00 0.00 0.00 0.00 60.65 59.48 1t9j s ILE 23 Cb -0.06 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 1t9j s ILE 23 CO -0.13 -0.03 -0.25 -0.63 0.00 0.00 0.00 174.94 173.90 1t9j s ILE 24 N 1.33 2.08 -0.08 2.92 1.01 0.76 -4.97 121.20 124.25 1t9j s ILE 24 Ca -0.02 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.58 1t9j s ILE 24 Cb -0.19 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1t9j s ILE 24 CO -0.01 0.57 -0.15 0.00 0.00 0.00 0.00 174.94 175.36 1t9j s ALA 25 N -0.26 1.51 0.09 9.38 0.00 -1.26 -0.10 121.76 131.11 1t9j s ALA 25 Ca -0.01 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1t9j s ALA 25 Cb -0.13 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1t9j s ALA 25 CO 0.03 0.09 -0.11 -0.65 0.00 0.00 0.00 175.76 175.11 1t9j s GLN 26 N 0.71 0.83 -0.31 0.00 -0.21 0.94 -4.83 119.66 116.78 1t9j s GLN 26 Ca -0.13 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.16 1t9j s GLN 26 Cb -0.16 -0.62 0.06 0.00 1.00 0.00 0.00 33.01 33.29 1t9j s GLN 26 CO 0.03 0.11 0.01 0.42 -2.12 0.00 0.00 175.29 173.75 1t9j s ILE 27 N -2.01 2.87 -0.29 1.08 1.01 -1.26 -0.59 121.20 122.01 1t9j s ILE 27 Ca 0.02 -1.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.04 1t9j s ILE 27 Cb -0.06 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1t9j s ILE 27 CO 0.01 -0.19 0.13 -0.54 0.00 0.00 0.00 174.94 174.35 1t9j s LYS 28 N 1.20 3.45 0.15 2.79 1.02 0.43 -4.69 119.74 124.09 1t9j s LYS 28 Ca -0.03 -0.63 -0.34 0.00 0.02 0.00 0.00 55.97 54.98 1t9j s LYS 28 Cb -0.20 -3.49 -0.14 0.00 -0.52 0.00 0.00 37.83 33.47 1t9j s LYS 28 CO -0.02 -0.34 1.54 -2.30 -0.92 0.00 0.00 175.35 173.31 1t9j n PRO 29 N 4.96 2.01 -3.20 -1.68 -0.02 -1.26 -0.49 135.00 135.31 1t9j n PRO 29 Ca -0.15 0.72 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1t9j n PRO 29 Cb 0.50 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1t9j n PRO 29 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1t9j s ASN 30 N 0.84 -1.06 0.41 2.55 3.84 -0.02 -4.84 114.94 116.66 1t9j s ASN 30 Ca 0.79 0.76 0.28 0.00 0.21 0.00 0.00 52.86 54.90 1t9j s ASN 30 Cb -0.72 1.93 1.47 0.00 -0.55 0.00 0.00 41.25 43.39 1t9j s ASN 30 CO 0.39 -0.20 1.85 1.56 -2.79 0.00 0.00 177.10 177.91 1t9j h GLN 31 N 7.97 0.00 0.00 0.43 1.08 -1.92 -2.98 115.11 119.69 1t9j h GLN 31 Ca -0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1t9j h GLN 31 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1t9j h GLN 31 CO 0.14 0.00 0.00 -1.13 -0.95 0.00 0.00 178.83 176.89 1t9j n SER 32 N -2.47 0.19 -4.89 1.46 3.41 -1.26 -4.80 113.62 105.26 1t9j n SER 32 Ca -0.02 0.52 -0.32 0.00 -0.26 0.00 0.00 58.87 58.80 1t9j n SER 32 Cb 0.06 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.39 1t9j n SER 32 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1t9j s TYR 33 N -3.03 3.46 0.42 7.33 1.51 -1.13 -5.00 117.35 120.92 1t9j s TYR 33 Ca 0.13 0.70 0.08 0.00 -1.01 0.00 0.00 57.07 56.97 1t9j s TYR 33 Cb 0.17 -2.12 0.89 0.00 -0.11 0.00 0.00 41.96 40.79 1t9j s TYR 33 CO 0.52 0.38 2.05 1.57 -1.11 0.00 0.00 175.55 178.96 1t9j h LYS 34 N 2.80 0.50 -0.64 -0.62 2.10 -1.90 0.11 116.57 118.92 1t9j h LYS 34 Ca -0.47 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1t9j h LYS 34 Cb 1.17 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1t9j h LYS 34 CO 0.71 0.33 0.00 1.19 -2.00 0.00 0.00 179.45 179.68 1t9j n PHE 35 N -4.48 1.59 -1.60 0.07 3.72 -1.26 -4.93 117.46 110.57 1t9j n PHE 35 Ca 0.04 -0.60 -0.20 0.00 -0.05 0.00 0.00 57.45 56.63 1t9j n PHE 35 Cb 0.09 -0.31 -0.08 0.00 -0.94 0.00 0.00 39.48 38.24 1t9j n PHE 35 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1t9j n LYS 36 N 0.96 -1.44 -3.73 -1.08 4.01 0.03 -4.93 118.16 111.96 1t9j n LYS 36 Ca 0.25 1.16 -0.13 0.00 -0.51 0.00 0.00 58.31 59.07 1t9j n LYS 36 Cb 0.94 -5.53 -0.10 0.00 -0.51 0.00 0.00 35.03 29.83 1t9j n LYS 36 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1t9j s HIS 37 N -2.68 -0.38 -0.12 2.13 3.76 -1.22 -0.84 115.29 115.93 1t9j s HIS 37 Ca 0.00 0.88 -0.07 0.00 -0.15 0.00 0.00 55.06 55.72 1t9j s HIS 37 Cb 0.00 0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.80 1t9j s HIS 37 CO 0.00 -0.27 0.13 -1.14 -0.85 0.00 0.00 174.74 172.61 1t9j s GLN 38 N -0.22 3.47 -0.48 1.40 0.74 0.35 -4.87 119.66 120.06 1t9j s GLN 38 Ca -0.04 -0.15 -0.20 0.00 0.05 0.00 0.00 55.36 55.02 1t9j s GLN 38 Cb -0.03 -3.19 0.04 0.00 1.10 0.00 0.00 33.01 30.93 1t9j s GLN 38 CO 0.02 0.74 0.66 -0.51 -0.55 0.00 0.00 175.29 175.65 1t9j s LEU 39 N -0.93 4.66 -0.09 3.68 1.43 -1.26 -0.43 118.68 125.75 1t9j s LEU 39 Ca 0.14 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1t9j s LEU 39 Cb -0.12 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1t9j s LEU 39 CO 0.04 -0.87 -0.02 -0.55 0.23 0.00 0.00 176.35 175.18 1t9j s SER 40 N 2.37 5.08 -0.02 2.29 0.15 0.25 -4.98 113.70 118.83 1t9j s SER 40 Ca 0.20 0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.97 1t9j s SER 40 Cb -0.16 -1.45 -0.01 0.00 -1.71 0.00 0.00 66.02 62.69 1t9j s SER 40 CO 0.16 0.35 -0.14 -0.76 1.20 0.00 0.00 173.24 174.05 1t9j s LEU 41 N -0.72 1.98 -0.08 3.45 2.01 -1.26 -0.04 118.68 124.01 1t9j s LEU 41 Ca 0.11 -0.26 -0.06 0.00 0.01 0.00 0.00 54.13 53.93 1t9j s LEU 41 Cb -0.12 -0.73 0.03 0.00 0.01 0.00 0.00 46.19 45.38 1t9j s LEU 41 CO 0.02 0.16 0.22 -0.89 1.01 0.00 0.00 176.35 176.86 1t9j s THR 42 N -0.21 -0.01 -0.19 5.49 2.01 0.86 -4.58 115.64 119.00 1t9j s THR 42 Ca 0.03 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.04 1t9j s THR 42 Cb -0.07 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1t9j s THR 42 CO -0.00 0.02 -0.02 0.12 -0.69 0.00 0.00 174.62 174.05 1t9j s PHE 43 N 0.49 3.00 0.06 4.92 5.36 -0.73 -0.17 117.98 130.91 1t9j s PHE 43 Ca -0.03 -0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 55.36 1t9j s PHE 43 Cb -0.05 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.56 1t9j s PHE 43 CO -0.02 -0.27 0.04 1.14 -1.46 0.00 0.00 175.22 174.64 1t9j s GLN 44 N 0.95 0.66 -0.06 10.12 -2.07 0.37 -1.46 119.66 128.18 1t9j s GLN 44 Ca 0.01 -1.09 -0.01 0.00 -1.82 0.00 0.00 55.36 52.44 1t9j s GLN 44 Cb -0.14 0.24 0.03 0.00 -1.09 0.00 0.00 33.01 32.05 1t9j s GLN 44 CO 0.01 -0.15 0.01 0.08 -1.32 0.00 0.00 175.29 173.92 1t9j s VAL 45 N -3.72 0.27 -0.07 3.63 1.01 -0.66 -0.20 120.40 120.67 1t9j s VAL 45 Ca 0.05 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1t9j s VAL 45 Cb 0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1t9j s VAL 45 CO -0.10 0.23 0.08 -0.89 0.00 0.00 0.00 175.10 174.43 1t9j s THR 46 N 1.81 4.92 -0.03 3.92 2.01 -1.07 -0.26 115.64 126.93 1t9j s THR 46 Ca 0.02 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 61.64 1t9j s THR 46 Cb -0.13 -3.16 0.05 0.00 0.01 0.00 0.00 72.50 69.27 1t9j s THR 46 CO -0.04 0.52 0.55 -0.70 -0.69 0.00 0.00 174.62 174.26 1t9j s GLU 47 N -1.25 0.94 0.33 4.92 2.56 -0.23 -4.84 118.70 121.13 1t9j s GLU 47 Ca 0.18 0.09 -0.28 0.00 0.00 0.00 0.00 54.97 54.95 1t9j s GLU 47 Cb -0.12 0.43 -0.13 0.00 2.00 0.00 0.00 34.13 36.32 1t9j s GLU 47 CO 0.07 -0.29 1.25 1.17 -0.56 0.00 0.00 175.26 176.91 1t9j n LYS 48 N 0.99 2.02 0.13 4.30 4.81 -1.26 -0.20 118.16 128.95 1t9j n LYS 48 Ca -0.20 0.71 0.08 0.00 -0.87 0.00 0.00 58.31 58.03 1t9j n LYS 48 Cb 0.57 -2.26 0.56 0.00 0.02 0.00 0.00 35.03 33.92 1t9j n LYS 48 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1t9j h THR 49 N 2.47 1.01 0.00 3.15 2.02 -0.82 0.21 112.91 120.95 1t9j h THR 49 Ca -0.45 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1t9j h THR 49 Cb 1.29 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1t9j h THR 49 CO 0.62 0.04 0.00 0.00 0.37 0.00 0.00 175.52 176.55 1t9j n GLN 50 N -4.50 0.12 -0.10 6.66 10.64 -1.26 -1.05 117.38 127.89 1t9j n GLN 50 Ca 0.01 0.21 0.10 0.00 -1.83 0.00 0.00 57.00 55.49 1t9j n GLN 50 Cb 0.14 -1.50 0.15 0.00 -0.86 0.00 0.00 30.24 28.16 1t9j n GLN 50 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1t9j n ARG 51 N -1.31 1.36 0.30 2.61 0.63 0.73 -4.70 116.66 116.29 1t9j n ARG 51 Ca 0.04 -2.61 0.19 0.00 -0.92 0.00 0.00 57.85 54.55 1t9j n ARG 51 Cb 0.08 -1.52 0.93 0.00 0.45 0.00 0.00 32.46 32.40 1t9j n ARG 51 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1t9j h ARG 52 N 0.10 0.00 -0.83 -0.14 0.11 -1.03 -1.46 114.38 111.13 1t9j h ARG 52 Ca 0.00 0.00 0.14 0.00 0.10 0.00 0.00 59.98 60.22 1t9j h ARG 52 Cb 1.02 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.04 1t9j h ARG 52 CO 0.01 0.03 0.54 0.11 0.10 0.00 0.00 179.97 180.76 1t9j h TRP 53 N 0.00 0.68 -0.61 4.08 5.08 -1.84 0.63 115.95 123.97 1t9j h TRP 53 Ca -0.00 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.97 1t9j h TRP 53 Cb 0.24 -0.21 -0.03 0.00 -3.00 0.00 0.00 29.16 26.16 1t9j h TRP 53 CO 0.00 0.26 0.29 0.35 -1.28 0.00 0.00 178.44 178.06 1t9j h PHE 54 N 0.58 0.88 -0.20 0.12 3.04 -1.65 -0.52 116.94 119.19 1t9j h PHE 54 Ca 0.41 -0.04 -0.14 0.00 3.98 0.00 0.00 57.97 62.17 1t9j h PHE 54 Cb 0.75 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1t9j h PHE 54 CO -0.00 0.67 -0.48 -0.07 -2.02 0.00 0.00 178.31 176.41 1t9j h LEU 55 N 0.84 0.57 -0.96 0.59 3.38 -0.68 -2.61 115.31 116.44 1t9j h LEU 55 Ca 0.21 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1t9j h LEU 55 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1t9j h LEU 55 CO -0.03 0.96 0.04 0.44 0.09 0.00 0.00 178.44 179.94 1t9j h ASP 56 N 0.42 0.75 -0.74 -0.43 3.32 0.55 -2.25 116.42 118.04 1t9j h ASP 56 Ca 0.02 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1t9j h ASP 56 Cb 0.99 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1t9j h ASP 56 CO 0.09 0.80 0.22 0.50 -1.72 0.00 0.00 179.24 179.13 1t9j h LYS 57 N 0.75 1.17 -0.85 3.56 3.64 -0.96 -2.54 116.57 121.34 1t9j h LYS 57 Ca 0.15 -0.26 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1t9j h LYS 57 Cb 0.40 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1t9j h LYS 57 CO 0.01 1.00 0.52 -0.07 -2.27 0.00 0.00 179.45 178.64 1t9j h LEU 58 N 1.11 0.80 -0.32 5.20 3.38 -1.03 0.24 115.31 124.69 1t9j h LEU 58 Ca 0.24 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1t9j h LEU 58 Cb 0.33 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1t9j h LEU 58 CO -0.00 0.51 -0.01 0.58 0.09 0.00 0.00 178.44 179.60 1t9j h VAL 59 N 0.93 0.75 0.09 1.22 2.07 -1.04 0.27 116.25 120.54 1t9j h VAL 59 Ca 0.37 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.86 1t9j h VAL 59 Cb 0.20 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1t9j h VAL 59 CO -0.18 0.01 -0.04 -0.78 0.02 0.00 0.00 177.57 176.60 1t9j h ASP 60 N 0.08 -0.10 -0.54 0.57 3.58 -1.17 0.42 116.42 119.26 1t9j h ASP 60 Ca 0.16 -0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 1t9j h ASP 60 Cb 0.22 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1t9j h ASP 60 CO -0.27 0.01 -0.04 -0.33 -2.88 0.00 0.00 179.24 175.73 1t9j h GLU 61 N -0.21 1.01 0.00 0.28 5.08 -0.31 -2.92 114.58 117.50 1t9j h GLU 61 Ca -0.01 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 57.91 1t9j h GLU 61 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1t9j h GLU 61 CO 0.02 1.01 -0.73 0.82 -1.00 0.00 0.00 179.01 179.13 1t9j h ILE 62 N 0.91 0.61 0.00 3.13 2.04 -0.44 -3.48 117.51 120.29 1t9j h ILE 62 Ca 0.16 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 64.07 1t9j h ILE 62 Cb 0.59 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1t9j h ILE 62 CO 0.04 0.35 0.00 0.61 0.00 0.00 0.00 178.15 179.15 1t9j n GLY 63 N 1.25 0.69 3.47 5.37 0.00 0.15 -4.99 105.19 111.13 1t9j n GLY 63 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1t9j n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t9j s VAL 64 N -2.84 0.04 0.00 1.61 0.11 -1.19 -5.00 120.40 113.13 1t9j s VAL 64 Ca 0.00 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1t9j s VAL 64 Cb 0.00 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 1t9j s VAL 64 CO 0.00 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.21 1t9j n GLY 65 N -0.31 -2.74 3.82 6.54 0.00 -1.26 -4.65 105.19 106.59 1t9j n GLY 65 Ca -0.10 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 1t9j n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1t9j s TYR 66 N -0.50 0.07 -0.08 1.61 -0.85 -0.59 -4.93 117.35 112.07 1t9j s TYR 66 Ca 0.00 -0.70 0.04 0.00 -0.52 0.00 0.00 57.07 55.89 1t9j s TYR 66 Cb 0.00 0.81 -0.01 0.00 0.38 0.00 0.00 41.96 43.14 1t9j s TYR 66 CO 0.00 -1.48 -0.22 0.08 -1.52 0.00 0.00 175.55 172.41 1t9j s VAL 67 N -2.53 2.30 0.03 -3.49 1.01 -1.26 -0.00 120.40 116.46 1t9j s VAL 67 Ca 0.15 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1t9j s VAL 67 Cb -0.05 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1t9j s VAL 67 CO 0.10 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.61 1t9j s ARG 68 N 0.06 2.20 -0.11 2.72 1.04 -0.11 -4.95 118.95 119.80 1t9j s ARG 68 Ca -0.09 -0.91 -0.05 0.00 -1.04 0.00 0.00 55.73 53.64 1t9j s ARG 68 Cb -0.15 -2.26 -0.04 0.00 -2.04 0.00 0.00 34.95 30.46 1t9j s ARG 68 CO 0.06 0.56 0.07 0.34 -0.04 0.00 0.00 175.30 176.29 1t9j s ASP 69 N -1.38 5.80 -0.31 -2.89 2.15 -1.26 -1.31 116.67 117.47 1t9j s ASP 69 Ca 0.15 0.29 0.18 0.00 0.43 0.00 0.00 52.55 53.60 1t9j s ASP 69 Cb -0.11 -1.79 0.47 0.00 -0.30 0.00 0.00 42.92 41.19 1t9j s ASP 69 CO 0.05 0.37 1.00 -2.11 -0.17 0.00 0.00 175.17 174.32 1t9j n ARG 70 N 2.21 1.43 0.00 4.34 1.85 -0.67 -5.01 116.66 120.81 1t9j n ARG 70 Ca -0.19 -3.39 0.00 0.00 -1.00 0.00 0.00 57.85 53.27 1t9j n ARG 70 Cb 0.54 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 1t9j n ARG 70 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1t9j n GLY 71 N -0.22 1.22 0.17 2.89 0.00 -1.26 -4.19 105.19 103.80 1t9j n GLY 71 Ca 0.10 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.43 1t9j n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1t9j h SER 72 N 0.00 0.00 -2.66 1.61 4.64 -1.98 -3.44 113.55 111.72 1t9j h SER 72 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1t9j h SER 72 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1t9j h SER 72 CO 0.00 0.37 -0.63 0.68 -0.87 0.00 0.00 176.83 176.38 1t9j s VAL 73 N -3.20 1.62 0.14 0.95 -7.23 -1.26 -0.16 120.40 111.26 1t9j s VAL 73 Ca 0.03 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1t9j s VAL 73 Cb 0.08 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1t9j s VAL 73 CO 0.71 -0.12 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.92 1t9j s SER 74 N -3.53 1.07 0.02 4.85 0.01 0.72 -1.67 113.70 115.17 1t9j s SER 74 Ca 0.33 -1.11 0.03 0.00 1.31 0.00 0.00 55.95 56.52 1t9j s SER 74 Cb 0.07 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 1t9j s SER 74 CO 0.15 -0.55 -0.10 -1.81 0.41 0.00 0.00 173.24 171.34 1t9j s ASP 75 N -3.11 1.19 -0.13 2.44 1.11 -0.43 -1.07 116.67 116.68 1t9j s ASP 75 Ca 0.19 -0.35 -0.16 0.00 0.18 0.00 0.00 52.55 52.41 1t9j s ASP 75 Cb 0.06 -0.07 -0.05 0.00 1.07 0.00 0.00 42.92 43.93 1t9j s ASP 75 CO 0.00 0.01 0.39 -0.47 1.18 0.00 0.00 175.17 176.28 1t9j s TYR 76 N -0.70 3.51 -0.05 4.23 5.04 0.64 -0.94 117.35 129.08 1t9j s TYR 76 Ca -0.00 0.77 0.04 0.00 -2.44 0.00 0.00 57.07 55.44 1t9j s TYR 76 Cb -0.06 -2.43 -0.00 0.00 0.35 0.00 0.00 41.96 39.81 1t9j s TYR 76 CO 0.00 0.24 -0.18 0.42 -1.34 0.00 0.00 175.55 174.70 1t9j s ILE 77 N 0.40 1.52 -0.18 3.14 -1.09 1.00 -1.65 121.20 124.34 1t9j s ILE 77 Ca 0.22 -0.76 -0.03 0.00 -2.23 0.00 0.00 60.65 57.85 1t9j s ILE 77 Cb -0.14 -1.31 0.06 0.00 -1.58 0.00 0.00 42.46 39.48 1t9j s ILE 77 CO 0.08 0.44 0.04 -0.22 -1.23 0.00 0.00 174.94 174.05 1t9j s LEU 78 N 0.09 1.00 -0.03 2.97 1.98 -0.53 -1.54 118.68 122.62 1t9j s LEU 78 Ca -0.06 -0.74 0.03 0.00 -2.89 0.00 0.00 54.13 50.48 1t9j s LEU 78 Cb -0.13 -0.53 -0.05 0.00 0.66 0.00 0.00 46.19 46.15 1t9j s LEU 78 CO 0.03 -0.31 0.02 -1.20 -1.89 0.00 0.00 176.35 173.00 1t9j n SER 79 N 5.09 4.10 -4.58 3.68 7.64 -1.26 -1.77 113.62 126.52 1t9j n SER 79 Ca -0.08 0.00 -0.54 0.00 1.01 0.00 0.00 58.87 59.25 1t9j n SER 79 Cb 0.48 0.65 -0.07 0.00 -1.01 0.00 0.00 64.21 64.26 1t9j n SER 79 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1t9j n GLU 80 N -2.08 1.15 -0.35 1.43 1.02 -1.26 -4.81 120.64 115.73 1t9j n GLU 80 Ca -0.05 0.38 0.03 0.00 -0.02 0.00 0.00 57.16 57.50 1t9j n GLU 80 Cb 0.56 -2.25 0.18 0.00 -0.02 0.00 0.00 31.44 29.91 1t9j n GLU 80 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1t9j h ILE 81 N 6.09 1.04 0.77 -3.67 3.07 -1.94 -0.22 117.51 122.64 1t9j h ILE 81 Ca -0.37 -0.37 -0.04 0.00 1.55 0.00 0.00 64.86 65.63 1t9j h ILE 81 Cb 1.32 -0.15 0.01 0.00 -0.27 0.00 0.00 36.82 37.73 1t9j h ILE 81 CO 0.99 0.20 -0.37 0.50 -1.05 0.00 0.00 178.15 178.42 1t9j h LYS 82 N 1.09 -0.99 -0.10 0.16 3.64 -2.00 0.57 116.57 118.94 1t9j h LYS 82 Ca 0.44 0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.83 1t9j h LYS 82 Cb 0.24 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1t9j h LYS 82 CO -0.20 -0.65 -0.16 -1.35 -2.27 0.00 0.00 179.45 174.83 1t9j h PRO 83 N -1.08 0.16 -0.18 1.90 0.11 -1.94 -1.81 132.00 129.16 1t9j h PRO 83 Ca -0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1t9j h PRO 83 Cb 0.80 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1t9j h PRO 83 CO 0.17 0.32 0.07 1.25 -0.21 0.00 0.00 178.00 179.60 1t9j h LEU 84 N 0.15 0.26 -0.24 2.35 5.85 -0.80 0.22 115.31 123.09 1t9j h LEU 84 Ca 0.03 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1t9j h LEU 84 Cb 0.37 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1t9j h LEU 84 CO 0.02 0.37 0.13 -0.74 -0.34 0.00 0.00 178.44 177.88 1t9j h HIS 85 N 0.13 0.34 -0.23 1.25 2.76 -0.60 0.24 115.15 119.04 1t9j h HIS 85 Ca 0.06 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1t9j h HIS 85 Cb 0.19 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 1t9j h HIS 85 CO -0.01 0.30 0.08 -0.97 -1.30 0.00 0.00 177.93 176.03 1t9j h ASN 86 N 0.28 0.09 0.08 3.26 -1.24 -1.13 -1.61 115.58 115.30 1t9j h ASN 86 Ca 0.08 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 1t9j h ASN 86 Cb 0.08 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1t9j h ASN 86 CO -0.01 0.08 -0.04 0.15 -1.29 0.00 0.00 177.43 176.32 1t9j h PHE 87 N 0.18 -0.09 -0.28 0.67 3.57 -0.35 -3.13 116.94 117.51 1t9j h PHE 87 Ca 0.10 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1t9j h PHE 87 Cb 0.07 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1t9j h PHE 87 CO -0.12 0.17 0.03 -0.07 -2.23 0.00 0.00 178.31 176.09 1t9j h LEU 88 N -0.36 0.38 -0.64 0.59 3.38 -0.49 -1.43 115.31 116.74 1t9j h LEU 88 Ca -0.01 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1t9j h LEU 88 Cb 0.31 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1t9j h LEU 88 CO 0.02 0.42 0.40 0.74 0.09 0.00 0.00 178.44 180.11 1t9j h THR 89 N 0.40 1.09 0.00 0.22 2.02 -1.30 0.96 112.91 116.30 1t9j h THR 89 Ca 0.09 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 1t9j h THR 89 Cb 0.23 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1t9j h THR 89 CO 0.00 0.14 -0.55 1.56 0.37 0.00 0.00 175.52 177.05 1t9j h GLN 90 N 0.79 0.00 0.19 6.66 4.20 -1.38 -3.35 115.11 122.22 1t9j h GLN 90 Ca 0.26 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.63 1t9j h GLN 90 Cb 0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.80 1t9j h GLN 90 CO -0.10 0.55 -1.63 1.25 -0.67 0.00 0.00 178.83 178.23 1t9j h LEU 91 N 0.00 0.63 -1.79 1.46 5.85 -0.88 -3.39 115.31 117.19 1t9j h LEU 91 Ca -0.01 -0.84 0.23 0.00 0.84 0.00 0.00 57.88 58.10 1t9j h LEU 91 Cb 1.38 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1t9j h LEU 91 CO 0.07 1.69 0.60 0.06 -0.34 0.00 0.00 178.44 180.53 1t9j h GLN 92 N 0.11 0.17 0.00 1.25 -0.00 -0.95 -1.24 115.11 114.44 1t9j h GLN 92 Ca -0.30 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1t9j h GLN 92 Cb 2.10 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 29.54 1t9j h GLN 92 CO 0.20 0.11 -0.01 -1.35 -0.00 0.00 0.00 178.83 177.78 1t9j h PRO 93 N 0.17 0.00 -0.01 0.06 0.11 -1.78 -2.56 132.00 127.99 1t9j h PRO 93 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1t9j h PRO 93 Cb 1.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1t9j h PRO 93 CO -0.08 0.01 -0.42 1.19 -0.21 0.00 0.00 178.00 178.49 1t9j n PHE 94 N -3.26 0.00 -2.54 0.65 3.72 -0.47 -4.97 117.46 110.59 1t9j n PHE 94 Ca -0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.02 1t9j n PHE 94 Cb 0.12 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 1t9j n PHE 94 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1t9j s LEU 95 N -2.23 4.02 0.00 4.37 1.43 -0.97 -4.73 118.68 120.57 1t9j s LEU 95 Ca 0.14 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1t9j s LEU 95 Cb 0.14 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 42.03 1t9j s LEU 95 CO 0.48 -0.61 0.00 0.29 0.23 0.00 0.00 176.35 176.74 1t9j n LYS 96 N -0.44 1.89 -0.08 1.70 5.02 -1.26 -4.56 118.16 120.44 1t9j n LYS 96 Ca 0.07 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.20 1t9j n LYS 96 Cb 0.51 -0.90 -0.14 0.00 -0.02 0.00 0.00 35.03 34.48 1t9j n LYS 96 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1t9j n LEU 97 N -1.95 2.00 -0.73 -0.35 4.77 -1.26 -4.60 117.00 114.88 1t9j n LEU 97 Ca 0.00 0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.05 1t9j n LEU 97 Cb 0.40 -0.52 0.21 0.00 -2.33 0.00 0.00 43.42 41.18 1t9j n LEU 97 CO 0.00 0.76 0.63 0.29 -1.33 0.00 0.00 177.39 177.74 1t9j n LYS 98 N -3.17 2.05 -0.15 3.23 5.02 -1.26 -4.66 118.16 119.21 1t9j n LYS 98 Ca -0.37 -2.93 -0.11 0.00 -2.02 0.00 0.00 58.31 52.88 1t9j n LYS 98 Cb 1.05 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 34.32 1t9j n LYS 98 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1t9j h GLN 99 N 1.03 0.85 -0.89 1.97 4.15 -1.81 -2.24 115.11 118.17 1t9j h GLN 99 Ca 0.06 -0.32 0.01 0.00 0.77 0.00 0.00 58.65 59.18 1t9j h GLN 99 Cb 1.35 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.94 1t9j h GLN 99 CO 0.19 0.95 0.59 0.87 -1.93 0.00 0.00 178.83 179.50 1t9j h LYS 100 N 0.68 1.15 -0.28 1.69 1.57 -1.93 -0.54 116.57 118.92 1t9j h LYS 100 Ca 0.11 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1t9j h LYS 100 Cb 0.64 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1t9j h LYS 100 CO 0.04 0.76 0.08 1.96 -0.57 0.00 0.00 179.45 181.73 1t9j h GLN 101 N 1.19 0.43 -0.25 3.15 7.50 -1.85 -1.20 115.11 124.07 1t9j h GLN 101 Ca 0.33 -0.09 0.04 0.00 0.50 0.00 0.00 58.65 59.43 1t9j h GLN 101 Cb -0.11 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.32 1t9j h GLN 101 CO -0.08 0.49 -0.01 0.00 -1.50 0.00 0.00 178.83 177.74 1t9j h ALA 102 N 0.92 0.21 -0.23 3.87 0.00 -0.91 -0.88 119.26 122.24 1t9j h ALA 102 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1t9j h ALA 102 Cb 0.24 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1t9j h ALA 102 CO -0.00 -0.43 -0.01 -0.91 0.00 0.00 0.00 179.25 177.90 1t9j h ASN 103 N 0.06 0.31 0.06 0.00 -0.26 -0.87 -0.93 115.58 113.96 1t9j h ASN 103 Ca 0.12 -0.04 -0.16 0.00 -0.56 0.00 0.00 56.30 55.65 1t9j h ASN 103 Cb 0.16 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1t9j h ASN 103 CO -0.21 0.37 -0.56 -0.07 -1.06 0.00 0.00 177.43 175.91 1t9j h LEU 104 N 0.33 0.58 -0.33 1.61 3.38 -0.59 -2.30 115.31 118.00 1t9j h LEU 104 Ca 0.08 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1t9j h LEU 104 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1t9j h LEU 104 CO 0.01 1.02 -0.08 0.58 0.09 0.00 0.00 178.44 180.05 1t9j h VAL 105 N 0.40 1.28 -0.76 1.22 2.07 -0.49 -0.98 116.25 119.00 1t9j h VAL 105 Ca 0.01 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1t9j h VAL 105 Cb 1.10 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1t9j h VAL 105 CO 0.10 0.37 0.45 -0.07 0.02 0.00 0.00 177.57 178.45 1t9j h LEU 106 N 0.42 0.90 -0.22 2.57 3.38 -1.18 -0.69 115.31 120.50 1t9j h LEU 106 Ca 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1t9j h LEU 106 Cb 0.58 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1t9j h LEU 106 CO 0.03 0.69 0.10 0.50 0.09 0.00 0.00 178.44 179.86 1t9j h LYS 107 N 1.04 0.32 -0.15 1.13 3.64 -1.09 -2.41 116.57 119.05 1t9j h LYS 107 Ca 0.27 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1t9j h LYS 107 Cb -0.04 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1t9j h LYS 107 CO -0.05 0.34 0.09 0.82 -2.27 0.00 0.00 179.45 178.38 1t9j h ILE 108 N 0.21 1.07 0.11 2.00 2.04 -0.71 -2.23 117.51 120.00 1t9j h ILE 108 Ca 0.07 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1t9j h ILE 108 Cb 0.13 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1t9j h ILE 108 CO -0.01 0.07 -0.44 0.40 0.00 0.00 0.00 178.15 178.17 1t9j h ILE 109 N 0.17 0.12 -0.13 -0.67 1.08 -1.04 -0.28 117.51 116.77 1t9j h ILE 109 Ca 0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1t9j h ILE 109 Cb 0.03 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 1t9j h ILE 109 CO -0.01 0.00 0.13 -0.33 -0.69 0.00 0.00 178.15 177.25 1t9j h GLU 110 N -0.67 0.00 -0.01 2.37 5.08 -1.41 -1.57 114.58 118.37 1t9j h GLU 110 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1t9j h GLU 110 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1t9j h GLU 110 CO -0.26 0.00 -0.23 0.94 -1.00 0.00 0.00 179.01 178.46 1t9j n GLN 111 N -4.01 1.27 -0.03 2.33 -0.06 -0.61 -4.53 117.38 111.75 1t9j n GLN 111 Ca 0.00 -0.88 -0.09 0.00 -2.00 0.00 0.00 57.00 54.03 1t9j n GLN 111 Cb 0.24 -1.48 -0.03 0.00 -4.06 0.00 0.00 30.24 24.91 1t9j n GLN 111 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1t9j h LEU 112 N 2.14 -0.82 -0.62 1.69 3.38 -0.03 -0.89 115.31 120.16 1t9j h LEU 112 Ca 0.00 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1t9j h LEU 112 Cb 0.62 0.37 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1t9j h LEU 112 CO 0.00 -0.30 0.20 -0.65 0.09 0.00 0.00 178.44 177.78 1t9j h PRO 113 N -0.30 0.35 0.00 1.13 0.11 -1.79 0.01 132.00 131.50 1t9j h PRO 113 Ca 0.12 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1t9j h PRO 113 Cb 0.48 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1t9j h PRO 113 CO -0.36 0.23 -0.30 1.03 -0.21 0.00 0.00 178.00 178.39 1t9j h SER 114 N 0.36 0.00 0.72 -2.05 0.87 -1.79 -2.52 113.55 109.14 1t9j h SER 114 Ca 0.32 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1t9j h SER 114 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1t9j h SER 114 CO -0.35 0.30 -0.39 0.00 -0.53 0.00 0.00 176.83 175.85 1t9j h ALA 115 N 1.70 1.06 0.00 6.23 0.00 0.41 -2.75 119.26 125.91 1t9j h ALA 115 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1t9j h ALA 115 Cb 0.53 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1t9j h ALA 115 CO 0.04 0.49 -0.28 -0.22 0.00 0.00 0.00 179.25 179.28 1t9j h LYS 116 N 0.00 0.00 0.10 0.00 3.64 -0.87 -3.32 116.57 116.12 1t9j h LYS 116 Ca -0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 1t9j h LYS 116 Cb 0.86 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1t9j h LYS 116 CO 0.05 0.28 -1.47 0.93 -2.27 0.00 0.00 179.45 176.97 1t9j h GLU 117 N 0.00 0.22 -5.74 1.90 5.08 -1.46 -3.47 114.58 111.10 1t9j h GLU 117 Ca -0.00 -0.37 -0.58 0.00 -1.00 0.00 0.00 59.36 57.41 1t9j h GLU 117 Cb 0.97 0.14 -0.30 0.00 0.50 0.00 0.00 28.75 30.06 1t9j h GLU 117 CO 0.04 1.08 -0.84 0.45 -1.00 0.00 0.00 179.01 178.73 1t9j s SER 118 N -6.92 2.25 0.20 1.42 0.15 -1.16 -5.03 113.70 104.61 1t9j s SER 118 Ca -0.07 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.17 1t9j s SER 118 Cb 0.07 -0.34 0.14 0.00 -1.71 0.00 0.00 66.02 64.18 1t9j s SER 118 CO 0.85 0.22 1.60 -0.65 1.20 0.00 0.00 173.24 176.46 1t9j h PRO 119 N 5.80 0.78 -0.43 5.44 0.11 -1.91 -0.96 132.00 140.83 1t9j h PRO 119 Ca -0.37 -0.34 -0.10 0.00 0.11 0.00 0.00 66.00 65.30 1t9j h PRO 119 Cb 1.15 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1t9j h PRO 119 CO 0.48 0.96 -0.15 -0.44 -0.21 0.00 0.00 178.00 178.64 1t9j h ASP 120 N 0.67 0.80 0.05 -2.05 3.32 -1.95 -0.50 116.42 116.75 1t9j h ASP 120 Ca 0.08 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1t9j h ASP 120 Cb 0.80 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1t9j h ASP 120 CO 0.07 0.96 -0.02 0.50 -1.72 0.00 0.00 179.24 179.02 1t9j h LYS 121 N 0.72 -0.06 -0.70 3.56 1.63 -1.85 -1.25 116.57 118.61 1t9j h LYS 121 Ca 0.11 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 60.07 1t9j h LYS 121 Cb 0.65 0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.18 1t9j h LYS 121 CO 0.05 0.36 0.05 0.35 -3.45 0.00 0.00 179.45 176.80 1t9j h PHE 122 N -0.49 0.04 -0.30 1.91 3.57 -1.06 0.53 116.94 121.14 1t9j h PHE 122 Ca -0.01 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1t9j h PHE 122 Cb 0.44 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1t9j h PHE 122 CO 0.07 -0.17 -0.14 1.25 -2.23 0.00 0.00 178.31 177.08 1t9j h LEU 123 N 0.15 0.50 -0.48 0.59 7.12 -1.01 -0.33 115.31 121.85 1t9j h LEU 123 Ca 0.38 -0.14 -0.02 0.00 0.13 0.00 0.00 57.88 58.24 1t9j h LEU 123 Cb 0.65 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 1t9j h LEU 123 CO -0.58 0.67 0.23 -0.08 -0.13 0.00 0.00 178.44 178.56 1t9j h GLU 124 N 0.47 0.69 -0.67 1.25 4.81 0.11 -1.79 114.58 119.45 1t9j h GLU 124 Ca 0.08 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1t9j h GLU 124 Cb 0.52 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1t9j h GLU 124 CO 0.03 0.58 0.20 0.28 -0.73 0.00 0.00 179.01 179.37 1t9j h VAL 125 N 0.63 1.25 -0.14 0.32 2.07 -0.08 -0.64 116.25 119.66 1t9j h VAL 125 Ca 0.17 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1t9j h VAL 125 Cb 0.11 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1t9j h VAL 125 CO -0.02 0.34 0.09 0.00 0.02 0.00 0.00 177.57 178.00 1t9j h THR 127 N 0.18 1.13 0.00 0.00 2.02 -0.26 -1.29 112.91 114.69 1t9j h THR 127 Ca 0.05 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 66.59 1t9j h THR 127 Cb -0.00 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1t9j h THR 127 CO -0.01 0.17 -0.57 -0.50 0.37 0.00 0.00 175.52 174.98 1t9j h TRP 128 N 0.30 0.00 -0.38 3.16 6.55 -1.09 -2.66 115.95 121.83 1t9j h TRP 128 Ca 0.07 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.81 1t9j h TRP 128 Cb 0.21 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.50 1t9j h TRP 128 CO 0.00 0.57 -0.17 0.28 -1.05 0.00 0.00 178.44 178.08 1t9j h VAL 129 N 0.00 1.28 -0.85 1.49 2.07 -0.91 -2.12 116.25 117.21 1t9j h VAL 129 Ca -0.01 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.30 1t9j h VAL 129 Cb 1.39 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 1t9j h VAL 129 CO 0.07 0.43 0.51 0.44 0.02 0.00 0.00 177.57 179.04 1t9j h ASP 130 N 0.59 0.75 -0.76 0.57 3.32 -1.03 -1.74 116.42 118.12 1t9j h ASP 130 Ca 0.09 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1t9j h ASP 130 Cb 0.72 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1t9j h ASP 130 CO 0.05 0.45 0.26 1.56 -1.72 0.00 0.00 179.24 179.84 1t9j h GLN 131 N 0.87 1.17 -0.31 3.56 4.20 -1.20 -1.22 115.11 122.19 1t9j h GLN 131 Ca 0.39 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1t9j h GLN 131 Cb 0.29 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1t9j h GLN 131 CO -0.22 0.98 0.16 0.82 -0.67 0.00 0.00 178.83 179.91 1t9j h ILE 132 N 1.13 1.14 -0.79 2.54 2.04 -0.75 -1.58 117.51 121.24 1t9j h ILE 132 Ca 0.25 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1t9j h ILE 132 Cb 0.28 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1t9j h ILE 132 CO -0.01 0.14 0.43 0.00 0.00 0.00 0.00 178.15 178.71 1t9j h ALA 133 N 1.03 1.27 0.00 1.87 0.00 -1.09 -0.80 119.26 121.53 1t9j h ALA 133 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1t9j h ALA 133 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1t9j h ALA 133 CO -0.02 0.59 -0.26 0.00 0.00 0.00 0.00 179.25 179.57 1t9j h ALA 134 N 1.37 1.14 0.01 0.00 0.00 -0.95 -2.38 119.26 118.46 1t9j h ALA 134 Ca 0.28 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1t9j h ALA 134 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1t9j h ALA 134 CO -0.04 0.33 -0.95 -0.07 0.00 0.00 0.00 179.25 178.51 1t9j h LEU 135 N 0.00 0.09-10.67 0.00 3.38 -0.24 -3.46 115.31 104.41 1t9j h LEU 135 Ca -0.00 -0.09 -0.45 0.00 0.09 0.00 0.00 57.88 57.43 1t9j h LEU 135 Cb 0.66 -0.03 0.14 0.00 0.09 0.00 0.00 40.66 41.52 1t9j h LEU 135 CO 0.03 0.98 0.38 0.20 0.09 0.00 0.00 178.44 180.12 1t9j s ASN 136 N -6.82 3.43 -1.29 -0.43 0.01 -0.42 -4.93 114.94 104.50 1t9j s ASN 136 Ca -0.01 0.57 -0.06 0.00 -0.71 0.00 0.00 52.86 52.65 1t9j s ASN 136 Cb 0.10 -0.86 0.15 0.00 0.41 0.00 0.00 41.25 41.05 1t9j s ASN 136 CO 0.82 -2.56 2.16 0.47 -1.51 0.00 0.00 177.10 176.47 1t9j n ASP 137 N -3.71 6.98 -4.67 -1.22 8.00 -1.26 -4.96 116.55 115.70 1t9j n ASP 137 Ca 0.11 -3.17 -0.42 0.00 0.71 0.00 0.00 54.79 52.02 1t9j n ASP 137 Cb 0.60 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.28 1t9j n ASP 137 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1t9j s SER 138 N 0.35 6.70 0.00 -2.24 0.15 -1.26 -4.90 113.70 112.51 1t9j s SER 138 Ca 0.48 2.24 0.00 0.00 0.70 0.00 0.00 55.95 59.37 1t9j s SER 138 Cb 0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1t9j s SER 138 CO -0.05 -0.87 0.00 0.29 1.20 0.00 0.00 173.24 173.80 1t9j n LYS 139 N 6.47 1.91 -0.72 5.44 5.02 -1.26 -4.88 118.16 130.14 1t9j n LYS 139 Ca 0.16 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.50 1t9j n LYS 139 Cb 0.43 -0.83 0.11 0.00 -0.02 0.00 0.00 35.03 34.71 1t9j n LYS 139 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1t9j n THR 140 N -1.03 1.21 -2.24 -0.18 -2.24 -1.26 -5.08 114.28 103.46 1t9j n THR 140 Ca 0.00 -1.95 -0.38 0.00 -2.27 0.00 0.00 64.05 59.46 1t9j n THR 140 Cb 0.00 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 1t9j n THR 140 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1t9j s ARG 141 N -1.80 3.82 0.05 -0.78 3.52 -1.26 -4.96 118.95 117.55 1t9j s ARG 141 Ca 0.30 1.83 0.00 0.00 -0.13 0.00 0.00 55.73 57.73 1t9j s ARG 141 Cb 0.30 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1t9j s ARG 141 CO -0.07 -0.51 0.00 1.63 -0.81 0.00 0.00 175.30 175.54 1t9j n LYS 142 N -0.33 0.00 -3.12 5.12 5.02 -1.26 -5.04 118.16 118.55 1t9j n LYS 142 Ca 0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 1t9j n LYS 142 Cb 0.47 -0.33 -0.06 0.00 -0.02 0.00 0.00 35.03 35.09 1t9j n LYS 142 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1t9j s THR 143 N -2.00 5.03 0.44 -0.18 2.01 -1.26 -4.94 115.64 114.75 1t9j s THR 143 Ca 0.00 1.20 0.03 0.00 0.31 0.00 0.00 61.69 63.23 1t9j s THR 143 Cb 0.00 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1t9j s THR 143 CO 0.00 0.14 0.09 0.42 -0.69 0.00 0.00 174.62 174.58 1t9j s THR 144 N 1.69 0.78 0.39 -0.82 -4.23 -1.26 -4.57 115.64 107.63 1t9j s THR 144 Ca 0.30 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1t9j s THR 144 Cb -0.16 -2.30 0.23 0.00 1.34 0.00 0.00 72.50 71.61 1t9j s THR 144 CO 0.11 0.00 2.00 0.77 -0.54 0.00 0.00 174.62 176.96 1t9j h SER 145 N 1.66 0.47 -0.49 3.99 4.64 -1.93 -2.20 113.55 119.68 1t9j h SER 145 Ca -0.38 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 1t9j h SER 145 Cb 1.29 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1t9j h SER 145 CO 0.62 0.41 0.26 -0.33 -0.87 0.00 0.00 176.83 176.92 1t9j h GLU 146 N 0.52 0.69 -0.41 4.77 4.39 -1.96 -1.04 114.58 121.56 1t9j h GLU 146 Ca 0.13 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1t9j h GLU 146 Cb 0.07 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1t9j h GLU 146 CO -0.02 0.55 0.04 1.79 -1.16 0.00 0.00 179.01 180.22 1t9j h THR 147 N 0.66 1.21 -0.17 1.13 1.35 -1.78 -2.76 112.91 112.54 1t9j h THR 147 Ca 0.17 -0.80 -0.16 0.00 -0.55 0.00 0.00 66.41 65.08 1t9j h THR 147 Cb 0.07 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 1t9j h THR 147 CO -0.03 0.28 -0.56 0.58 -0.25 0.00 0.00 175.52 175.55 1t9j h VAL 148 N 0.61 1.33 -0.37 6.82 2.07 -0.93 -3.01 116.25 122.77 1t9j h VAL 148 Ca 0.13 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1t9j h VAL 148 Cb 0.32 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1t9j h VAL 148 CO 0.01 0.56 0.17 -0.09 0.02 0.00 0.00 177.57 178.23 1t9j h ARG 149 N 0.40 0.54 -0.85 1.57 2.43 -0.97 -1.53 114.38 115.96 1t9j h ARG 149 Ca 0.01 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1t9j h ARG 149 Cb 1.09 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 1t9j h ARG 149 CO 0.10 0.49 0.57 0.00 -1.51 0.00 0.00 179.97 179.62 1t9j h ALA 150 N 1.01 1.40 -0.18 2.80 0.00 -1.48 -0.63 119.26 122.19 1t9j h ALA 150 Ca 0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1t9j h ALA 150 Cb 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1t9j h ALA 150 CO -0.01 0.55 -0.61 0.28 0.00 0.00 0.00 179.25 179.45 1t9j h VAL 151 N 1.14 1.32 -0.27 0.00 2.07 -1.35 -3.18 116.25 115.98 1t9j h VAL 151 Ca 0.32 -1.88 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 1t9j h VAL 151 Cb -0.11 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1t9j h VAL 151 CO -0.07 0.59 -0.02 -0.07 0.02 0.00 0.00 177.57 178.02 1t9j h LEU 152 N 0.45 0.49 0.00 2.57 3.38 -0.85 -3.52 115.31 117.82 1t9j h LEU 152 Ca -0.01 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1t9j h LEU 152 Cb 1.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1t9j h LEU 152 CO 0.12 0.69 0.00 0.47 0.09 0.00 0.00 178.44 179.81