#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1blb n PRO -3 N 0.00 1.32 -0.25 -1.09 -0.01 -1.26 -4.76 135.00 128.95 1blb n PRO -3 Ca 0.00 0.48 0.11 0.00 -0.01 0.00 0.00 63.50 64.08 1blb n PRO -3 Cb 0.00 -2.18 0.21 0.00 -0.01 0.00 0.00 33.50 31.52 1blb n PRO -3 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 175.50 175.38 1blb n LEU -2 N 4.66 -0.08 0.00 2.45 7.94 -1.26 -0.20 117.00 130.51 1blb n LEU -2 Ca 0.23 1.21 0.00 0.00 -1.11 0.00 0.00 56.01 56.34 1blb n LEU -2 Cb 0.17 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 43.68 1blb n LEU -2 CO 0.74 -1.22 0.00 0.59 -1.11 0.00 0.00 177.39 176.39 1blb n ASN -1 N -4.97 0.00 -4.61 1.96 4.13 -1.26 -1.07 115.26 109.44 1blb n ASN -1 Ca 0.17 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 56.00 1blb n ASN -1 Cb 0.55 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.76 1blb n ASN -1 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1blb s PRO 1 N -1.48 3.33 -0.03 3.52 0.04 0.72 -4.19 135.00 136.91 1blb s PRO 1 Ca 0.00 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 1blb s PRO 1 Cb 0.00 -4.29 0.03 0.00 0.04 0.00 0.00 34.50 30.28 1blb s PRO 1 CO 0.00 -1.88 0.06 0.21 0.04 0.00 0.00 177.00 175.44 1blb s LYS 2 N 5.89 -0.02 -0.17 4.56 2.20 -0.23 -4.42 119.74 127.55 1blb s LYS 2 Ca 0.93 0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 56.77 1blb s LYS 2 Cb -0.31 -0.27 0.08 0.00 -1.51 0.00 0.00 37.83 35.81 1blb s LYS 2 CO 0.35 -0.20 0.20 -1.50 -0.36 0.00 0.00 175.35 173.84 1blb s ILE 3 N 1.29 -0.29 -0.24 5.43 2.07 -0.89 -1.86 121.20 126.70 1blb s ILE 3 Ca -0.07 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 58.97 1blb s ILE 3 Cb -0.13 -0.57 -0.02 0.00 0.13 0.00 0.00 42.46 41.87 1blb s ILE 3 CO -0.04 -0.12 0.63 -0.63 -1.91 0.00 0.00 174.94 172.87 1blb s ILE 4 N 2.30 4.99 -0.45 2.00 -1.09 0.00 -3.12 121.20 125.84 1blb s ILE 4 Ca 0.05 1.14 -0.06 0.00 -2.23 0.00 0.00 60.65 59.55 1blb s ILE 4 Cb -0.15 -3.93 0.12 0.00 -1.58 0.00 0.00 42.46 36.92 1blb s ILE 4 CO -0.10 0.05 0.28 -0.51 -1.23 0.00 0.00 174.94 173.43 1blb s ILE 5 N 2.36 3.72 0.24 2.92 2.07 0.14 0.93 121.20 133.59 1blb s ILE 5 Ca 0.27 -1.98 -0.30 0.00 -1.41 0.00 0.00 60.65 57.23 1blb s ILE 5 Cb -0.16 -3.49 -0.09 0.00 0.13 0.00 0.00 42.46 38.85 1blb s ILE 5 CO 0.09 -0.74 1.19 -0.36 -1.91 0.00 0.00 174.94 173.21 1blb s PHE 6 N 1.18 3.41 -0.00 3.50 0.40 -0.12 -2.82 117.98 123.53 1blb s PHE 6 Ca 0.08 1.51 -0.01 0.00 -0.60 0.00 0.00 56.93 57.91 1blb s PHE 6 Cb -0.24 -3.43 -0.00 0.00 0.51 0.00 0.00 43.02 39.86 1blb s PHE 6 CO -0.03 -1.11 0.34 0.93 0.70 0.00 0.00 175.22 176.05 1blb h GLU 7 N 4.45 -0.03 -6.47 0.44 5.08 -1.61 0.62 114.58 117.06 1blb h GLU 7 Ca -0.46 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.37 1blb h GLU 7 Cb 1.21 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.50 1blb h GLU 7 CO 0.71 -0.02 1.01 -1.14 -1.00 0.00 0.00 179.01 178.56 1blb s GLN 8 N -1.75 4.19 0.25 2.33 2.00 -0.75 0.17 119.66 126.09 1blb s GLN 8 Ca -0.00 2.37 -0.13 0.00 -2.00 0.00 0.00 55.36 55.60 1blb s GLN 8 Cb 0.00 -3.56 -0.09 0.00 0.80 0.00 0.00 33.01 30.16 1blb s GLN 8 CO 0.01 -0.74 0.05 -1.91 -0.50 0.00 0.00 175.29 172.20 1blb n GLU 9 N 5.48 0.00 -3.41 1.67 2.13 -1.26 0.22 120.64 125.46 1blb n GLU 9 Ca 0.16 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.77 1blb n GLU 9 Cb 0.40 -0.60 0.06 0.00 0.27 0.00 0.00 31.44 31.57 1blb n GLU 9 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1blb n ASN 10 N 1.41 -6.17 -0.57 4.31 5.15 -0.72 -2.09 115.26 116.58 1blb n ASN 10 Ca 0.07 -0.82 -0.05 0.00 -0.60 0.00 0.00 54.58 53.17 1blb n ASN 10 Cb 0.24 -4.52 -0.02 0.00 -0.53 0.00 0.00 39.78 34.95 1blb n ASN 10 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1blb n PHE 11 N -3.58 -0.18 -2.40 1.20 3.72 -1.24 -4.91 117.46 110.06 1blb n PHE 11 Ca -0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 1blb n PHE 11 Cb 0.61 -1.80 -0.03 0.00 -0.94 0.00 0.00 39.48 37.31 1blb n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1blb s GLN 12 N -1.93 4.49 4.72 -1.08 1.11 0.13 -4.85 119.66 122.25 1blb s GLN 12 Ca 0.00 1.83 0.00 0.00 0.01 0.00 0.00 55.36 57.20 1blb s GLN 12 Cb 0.00 -3.27 0.00 0.00 -1.01 0.00 0.00 33.01 28.73 1blb s GLN 12 CO 0.00 -0.10 0.00 0.41 0.01 0.00 0.00 175.29 175.61 1blb n GLY 13 N 2.40 1.41 2.98 3.09 0.00 -1.26 -1.81 105.19 111.99 1blb n GLY 13 Ca 0.05 0.45 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 1blb n GLY 13 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1blb n HIS 14 N 0.00 0.00 -1.94 1.61 -0.00 -1.26 -4.91 115.22 108.72 1blb n HIS 14 Ca 0.00 -0.35 -0.35 0.00 -0.00 0.00 0.00 57.72 57.02 1blb n HIS 14 Cb 0.00 -0.53 0.04 0.00 -0.00 0.00 0.00 29.99 29.49 1blb n HIS 14 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1blb s SER 15 N 4.32 5.19 -0.04 4.39 1.04 -1.26 -2.98 113.70 124.35 1blb s SER 15 Ca 0.12 2.22 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 1blb s SER 15 Cb 0.03 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.60 1blb s SER 15 CO 0.06 -1.58 0.04 -1.00 0.98 0.00 0.00 173.24 171.74 1blb s HIS 16 N -1.89 0.20 0.57 5.02 3.76 -1.13 -4.92 115.29 116.91 1blb s HIS 16 Ca 0.73 0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 55.67 1blb s HIS 16 Cb -0.26 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.89 1blb s HIS 16 CO 0.35 -0.20 0.96 -2.00 -0.85 0.00 0.00 174.74 173.01 1blb s GLU 17 N 1.85 3.64 -0.20 1.40 2.12 -1.26 -0.68 118.70 125.57 1blb s GLU 17 Ca 0.01 0.65 -0.26 0.00 0.36 0.00 0.00 54.97 55.74 1blb s GLU 17 Cb -0.12 -2.16 0.07 0.00 0.26 0.00 0.00 34.13 32.17 1blb s GLU 17 CO -0.03 -0.44 0.69 -1.17 -0.54 0.00 0.00 175.26 173.77 1blb s LEU 18 N -4.90 -0.64 -0.01 2.70 2.96 -1.18 -4.91 118.68 112.70 1blb s LEU 18 Ca 0.54 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 1blb s LEU 18 Cb -0.11 2.42 0.02 0.00 0.50 0.00 0.00 46.19 49.02 1blb s LEU 18 CO 0.48 -0.34 0.73 0.59 -1.32 0.00 0.00 176.35 176.49 1blb n ASN 19 N 2.20 0.50 -1.75 3.68 4.13 -1.26 -2.10 115.26 120.65 1blb n ASN 19 Ca -0.15 -1.50 -0.03 0.00 1.68 0.00 0.00 54.58 54.58 1blb n ASN 19 Cb 0.56 -0.07 0.01 0.00 -1.54 0.00 0.00 39.78 38.74 1blb n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1blb n GLY 20 N -0.18 1.43 3.77 7.41 0.00 -1.26 -4.74 105.19 111.61 1blb n GLY 20 Ca 0.01 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1blb n GLY 20 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1blb s PRO 21 N -2.03 4.23 -0.30 1.61 0.02 -1.26 -4.41 135.00 132.86 1blb s PRO 21 Ca 0.07 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.16 1blb s PRO 21 Cb -0.02 -2.93 0.10 0.00 0.02 0.00 0.00 34.50 31.67 1blb s PRO 21 CO 0.04 -0.25 0.11 0.00 -0.33 0.00 0.00 177.00 176.58 1blb n PRO 23 N 4.98 0.11 -3.15 0.00 -0.02 -1.26 -2.37 135.00 133.29 1blb n PRO 23 Ca -0.03 0.04 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 1blb n PRO 23 Cb 0.42 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.39 1blb n PRO 23 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1blb s ASN 24 N -2.08 -0.33 0.25 2.55 3.84 -1.22 -2.68 114.94 115.26 1blb s ASN 24 Ca 0.06 0.10 0.25 0.00 0.21 0.00 0.00 52.86 53.48 1blb s ASN 24 Cb 0.03 1.24 0.53 0.00 -0.55 0.00 0.00 41.25 42.49 1blb s ASN 24 CO 0.05 -0.06 1.58 -0.07 -2.79 0.00 0.00 177.10 175.81 1blb h LEU 25 N 7.55 0.00 -0.98 3.21 3.38 -1.72 -3.12 115.31 123.63 1blb h LEU 25 Ca -0.11 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1blb h LEU 25 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1blb h LEU 25 CO -0.13 0.02 -0.42 0.11 0.09 0.00 0.00 178.44 178.11 1blb h LYS 26 N 0.00 0.00 -0.49 1.13 1.79 -1.83 -2.46 116.57 114.72 1blb h LYS 26 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1blb h LYS 26 Cb 0.83 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1blb h LYS 26 CO 0.00 0.42 -0.22 0.93 -1.08 0.00 0.00 179.45 179.50 1blb h GLU 27 N 0.00 1.01 -7.45 3.15 4.39 -1.78 -3.41 114.58 110.49 1blb h GLU 27 Ca -0.00 -0.43 -0.46 0.00 0.34 0.00 0.00 59.36 58.80 1blb h GLU 27 Cb 0.89 -0.03 0.13 0.00 -0.10 0.00 0.00 28.75 29.64 1blb h GLU 27 CO 0.05 1.11 0.28 0.99 -1.16 0.00 0.00 179.01 180.29 1blb s THR 28 N -4.67 2.17 -0.72 1.13 2.01 -0.94 -4.76 115.64 109.86 1blb s THR 28 Ca -0.11 0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1blb s THR 28 Cb 0.12 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.89 1blb s THR 28 CO 0.87 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1blb n GLY 328 N -1.93 0.00 3.38 4.40 0.00 -1.26 -4.47 105.19 105.31 1blb n GLY 328 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1blb n GLY 328 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1blb s VAL 29 N -0.56 4.47 -0.20 1.61 1.01 -1.11 -4.89 120.40 120.74 1blb s VAL 29 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1blb s VAL 29 Cb 0.00 -3.44 -0.21 0.00 0.00 0.00 0.00 36.38 32.73 1blb s VAL 29 CO 0.00 -0.14 0.04 1.21 0.00 0.00 0.00 175.10 176.21 1blb n GLU 30 N 4.97 0.69 -4.13 2.72 4.07 -1.26 -3.37 120.64 124.33 1blb n GLU 30 Ca -0.12 0.19 -0.17 0.00 -0.06 0.00 0.00 57.16 56.99 1blb n GLU 30 Cb 0.47 -1.60 -0.15 0.00 -0.06 0.00 0.00 31.44 30.10 1blb n GLU 30 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1blb s LYS 31 N -2.54 0.54 -0.88 5.31 2.47 -1.26 -4.91 119.74 118.48 1blb s LYS 31 Ca -0.28 -0.12 -0.21 0.00 -1.56 0.00 0.00 55.97 53.81 1blb s LYS 31 Cb 0.08 -0.57 0.10 0.00 -1.46 0.00 0.00 37.83 35.98 1blb s LYS 31 CO 0.68 0.01 1.15 0.00 0.16 0.00 0.00 175.35 177.36 1blb s ALA 32 N 0.40 3.17 0.02 3.13 0.00 -1.26 -3.71 121.76 123.51 1blb s ALA 32 Ca -0.05 -2.42 -0.25 0.00 0.00 0.00 0.00 51.96 49.24 1blb s ALA 32 Cb -0.08 -4.10 -0.17 0.00 0.00 0.00 0.00 23.12 18.77 1blb s ALA 32 CO -0.00 -3.06 1.33 0.78 0.00 0.00 0.00 175.76 174.81 1blb h GLY 33 N 11.13 -0.30 -4.55 0.00 0.00 0.74 -3.45 103.07 106.63 1blb h GLY 33 Ca 0.05 0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 1blb h GLY 33 CO 1.19 -0.11 -0.10 -1.35 0.00 0.00 0.00 176.54 176.17 1blb s SER 34 N -5.20 -0.42 -0.05 0.19 1.04 -0.49 -4.08 113.70 104.70 1blb s SER 34 Ca -0.15 0.53 0.06 0.00 0.48 0.00 0.00 55.95 56.88 1blb s SER 34 Cb 0.03 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1blb s SER 34 CO 0.59 -0.42 -0.25 -0.69 0.98 0.00 0.00 173.24 173.46 1blb s VAL 35 N -0.84 1.99 -0.07 5.02 1.01 -1.21 -0.94 120.40 125.36 1blb s VAL 35 Ca -0.09 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1blb s VAL 35 Cb -0.03 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1blb s VAL 35 CO 0.05 0.56 -0.21 -0.22 0.00 0.00 0.00 175.10 175.28 1blb s LEU 36 N -0.27 2.33 -0.34 3.92 0.20 0.27 -2.63 118.68 122.15 1blb s LEU 36 Ca 0.00 -0.41 -0.03 0.00 0.69 0.00 0.00 54.13 54.38 1blb s LEU 36 Cb -0.12 -1.46 0.06 0.00 -0.43 0.00 0.00 46.19 44.24 1blb s LEU 36 CO 0.02 0.25 0.09 -0.69 -0.29 0.00 0.00 176.35 175.73 1blb s VAL 37 N -0.18 3.29 0.02 1.68 1.01 -0.97 -0.82 120.40 124.43 1blb s VAL 37 Ca -0.02 -1.50 0.10 0.00 0.00 0.00 0.00 61.98 60.56 1blb s VAL 37 Cb -0.14 -2.99 -0.15 0.00 0.00 0.00 0.00 36.38 33.10 1blb s VAL 37 CO 0.03 -0.29 1.17 1.56 0.00 0.00 0.00 175.10 177.58 1blb h GLN 38 N 8.08 0.00 -1.58 2.72 7.50 -1.71 -3.22 115.11 126.89 1blb h GLN 38 Ca -0.19 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.06 1blb h GLN 38 Cb 1.06 0.00 -0.24 0.00 0.05 0.00 0.00 27.48 28.35 1blb h GLN 38 CO 0.60 0.76 0.21 0.00 -1.50 0.00 0.00 178.83 178.90 1blb s ALA 39 N -2.76 -2.25 0.00 3.87 0.00 -0.78 -4.93 121.76 114.92 1blb s ALA 39 Ca 0.00 2.24 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1blb s ALA 39 Cb 0.09 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1blb s ALA 39 CO 0.81 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1blb n GLY 40 N 4.29 1.65 3.71 0.00 0.00 -1.26 -1.21 105.19 112.38 1blb n GLY 40 Ca -0.16 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1blb n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1blb s PRO 41 N 4.35 1.78 -0.01 1.61 0.05 -1.26 -4.89 135.00 136.63 1blb s PRO 41 Ca 0.00 1.65 0.07 0.00 0.05 0.00 0.00 61.00 62.77 1blb s PRO 41 Cb 0.00 -1.80 -0.02 0.00 0.05 0.00 0.00 34.50 32.73 1blb s PRO 41 CO 0.00 -2.08 -0.22 -1.58 0.05 0.00 0.00 177.00 173.16 1blb s TRP 42 N -2.26 2.00 -0.18 0.56 0.52 -0.93 -1.73 118.94 116.92 1blb s TRP 42 Ca 0.71 -0.38 -0.08 0.00 0.02 0.00 0.00 56.10 56.37 1blb s TRP 42 Cb -0.26 -1.28 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 1blb s TRP 42 CO 0.50 -0.02 0.08 0.08 0.02 0.00 0.00 176.95 177.61 1blb s VAL 43 N -0.55 4.99 0.50 4.03 1.01 0.11 0.39 120.40 130.89 1blb s VAL 43 Ca 0.09 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.17 1blb s VAL 43 Cb -0.09 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 33.09 1blb s VAL 43 CO -0.01 0.47 0.69 -0.83 0.00 0.00 0.00 175.10 175.42 1blb s GLY 44 N 0.22 1.86 0.05 4.51 0.00 -0.73 -2.77 107.32 110.47 1blb s GLY 44 Ca 0.06 -1.78 -0.07 0.00 0.00 0.00 0.00 44.72 42.92 1blb s GLY 44 CO -0.00 -1.48 0.15 -0.19 0.00 0.00 0.00 173.10 171.57 1blb s TYR 45 N -2.55 0.16 -0.04 1.90 2.02 -1.01 -2.66 117.35 115.17 1blb s TYR 45 Ca 0.58 -0.48 -0.23 0.00 -0.37 0.00 0.00 57.07 56.58 1blb s TYR 45 Cb -0.08 -0.10 -0.25 0.00 -0.40 0.00 0.00 41.96 41.13 1blb s TYR 45 CO 0.36 -0.43 1.01 1.49 -1.57 0.00 0.00 175.55 176.41 1blb h GLU 46 N 3.34 0.25 -5.59 -0.62 4.57 -0.98 -2.71 114.58 112.84 1blb h GLU 46 Ca -0.33 -0.30 -0.64 0.00 -1.18 0.00 0.00 59.36 56.92 1blb h GLU 46 Cb 1.19 0.09 -0.32 0.00 -0.16 0.00 0.00 28.75 29.55 1blb h GLU 46 CO 0.52 1.03 -0.87 1.14 -1.18 0.00 0.00 179.01 179.66 1blb s GLN 47 N -2.96 2.34 1.00 1.92 -2.07 0.79 -4.45 119.66 116.22 1blb s GLN 47 Ca -0.15 -0.78 -0.16 0.00 -1.82 0.00 0.00 55.36 52.45 1blb s GLN 47 Cb 0.01 -1.95 -0.01 0.00 -1.09 0.00 0.00 33.01 29.98 1blb s GLN 47 CO 0.78 0.28 -0.09 0.00 -1.32 0.00 0.00 175.29 174.94 1blb n ALA 48 N 3.15 -3.79 -1.95 2.60 0.00 -1.26 -2.18 120.51 117.08 1blb n ALA 48 Ca -0.18 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.36 1blb n ALA 48 Cb 0.52 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1blb n ALA 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1blb n ASN 49 N 0.04 -3.09 -3.21 0.00 3.02 -1.09 -4.14 115.26 106.79 1blb n ASN 49 Ca 0.03 0.04 -0.30 0.00 -0.03 0.00 0.00 54.58 54.31 1blb n ASN 49 Cb 0.57 -2.16 0.03 0.00 -0.61 0.00 0.00 39.78 37.61 1blb n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1blb s LYS 51 N -2.59 0.69 0.00 0.00 1.02 -0.93 -5.06 119.74 112.87 1blb s LYS 51 Ca 0.25 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1blb s LYS 51 Cb -0.03 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 1blb s LYS 51 CO 0.74 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.41 1blb n GLY 52 N 1.76 -0.86 3.73 -3.33 0.00 -1.26 -0.14 105.19 105.08 1blb n GLY 52 Ca -0.18 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 1blb n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1blb n GLU 53 N 0.00 2.46 -3.95 1.61 1.02 -1.26 -4.56 120.64 115.96 1blb n GLU 53 Ca 0.00 0.87 -0.29 0.00 -0.02 0.00 0.00 57.16 57.72 1blb n GLU 53 Cb 0.00 -2.57 -0.04 0.00 -0.02 0.00 0.00 31.44 28.81 1blb n GLU 53 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1blb s GLN 54 N -1.28 3.34 -0.25 3.49 -0.21 -1.26 -0.76 119.66 122.72 1blb s GLN 54 Ca 0.59 -0.55 -0.02 0.00 0.02 0.00 0.00 55.36 55.40 1blb s GLN 54 Cb -0.53 -2.95 0.12 0.00 1.00 0.00 0.00 33.01 30.65 1blb s GLN 54 CO 0.56 0.57 0.29 -0.06 -2.12 0.00 0.00 175.29 174.53 1blb s PHE 55 N -1.59 -0.50 -0.04 0.91 0.08 -1.09 -4.94 117.98 110.81 1blb s PHE 55 Ca 0.34 0.17 -0.30 0.00 0.12 0.00 0.00 56.93 57.26 1blb s PHE 55 Cb -0.12 -0.32 -0.06 0.00 -0.57 0.00 0.00 43.02 41.95 1blb s PHE 55 CO 0.27 -0.78 1.60 0.08 -0.10 0.00 0.00 175.22 176.28 1blb s VAL 56 N 2.39 3.58 -0.27 -0.44 1.01 -1.26 -1.77 120.40 123.64 1blb s VAL 56 Ca 0.09 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 1blb s VAL 56 Cb -0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1blb s VAL 56 CO -0.23 -0.05 0.18 -0.36 0.00 0.00 0.00 175.10 174.63 1blb s PHE 57 N 3.62 3.22 0.32 5.22 0.40 0.16 -4.96 117.98 125.97 1blb s PHE 57 Ca 0.71 0.10 0.07 0.00 -0.60 0.00 0.00 56.93 57.20 1blb s PHE 57 Cb -0.33 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 40.83 1blb s PHE 57 CO 0.28 -0.14 0.34 -1.21 0.70 0.00 0.00 175.22 175.20 1blb s GLU 58 N 1.64 2.90 -0.23 0.44 2.02 -1.26 -2.18 118.70 122.03 1blb s GLU 58 Ca 0.07 -1.16 -0.28 0.00 0.02 0.00 0.00 54.97 53.62 1blb s GLU 58 Cb -0.16 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 1blb s GLU 58 CO 0.09 0.13 2.18 0.21 0.02 0.00 0.00 175.26 177.90 1blb s LYS 59 N -4.03 3.14 -0.05 1.61 2.20 -1.26 -4.75 119.74 116.60 1blb s LYS 59 Ca 0.41 1.97 -0.20 0.00 -0.36 0.00 0.00 55.97 57.79 1blb s LYS 59 Cb -0.07 -4.36 0.06 0.00 -1.51 0.00 0.00 37.83 31.95 1blb s LYS 59 CO 0.28 -2.10 0.88 0.41 -0.36 0.00 0.00 175.35 174.47 1blb n GLY 60 N 5.74 0.24 3.87 5.54 0.00 -1.22 -5.00 105.19 114.37 1blb n GLY 60 Ca 0.29 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1blb n GLY 60 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1blb s GLU 61 N -2.00 3.37 -0.44 1.61 -1.05 -1.26 -2.29 118.70 116.64 1blb s GLU 61 Ca 0.21 -0.29 0.03 0.00 -0.15 0.00 0.00 54.97 54.77 1blb s GLU 61 Cb -0.00 -3.08 0.16 0.00 -0.44 0.00 0.00 34.13 30.76 1blb s GLU 61 CO -0.01 0.70 0.31 0.71 0.95 0.00 0.00 175.26 177.93 1blb s TYR 62 N -1.20 1.46 0.33 4.83 1.51 -1.08 -5.03 117.35 118.17 1blb s TYR 62 Ca 0.22 -2.31 0.09 0.00 -1.01 0.00 0.00 57.07 54.06 1blb s TYR 62 Cb -0.12 -1.30 0.97 0.00 -0.11 0.00 0.00 41.96 41.39 1blb s TYR 62 CO 0.13 -0.78 1.59 -1.35 -1.11 0.00 0.00 175.55 174.02 1blb h PRO 63 N 6.09 0.04 -2.85 -1.71 0.11 -1.95 -3.21 132.00 128.53 1blb h PRO 63 Ca 0.16 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 1blb h PRO 63 Cb 0.91 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 31.85 1blb h PRO 63 CO 0.41 0.03 0.01 -0.98 -0.21 0.00 0.00 178.00 177.26 1blb s ARG 64 N -5.82 1.02 0.22 1.05 1.70 -1.26 -1.75 118.95 114.12 1blb s ARG 64 Ca -0.11 -0.29 0.17 0.00 -0.47 0.00 0.00 55.73 55.03 1blb s ARG 64 Cb 0.30 0.47 0.73 0.00 -0.57 0.00 0.00 34.95 35.88 1blb s ARG 64 CO 0.78 -0.37 0.75 -2.67 -1.08 0.00 0.00 175.30 172.71 1blb n TRP 65 N 0.37 0.29 -0.21 5.89 4.27 -1.26 -2.49 117.44 124.30 1blb n TRP 65 Ca -0.18 0.29 0.02 0.00 -3.89 0.00 0.00 57.50 53.74 1blb n TRP 65 Cb 0.60 -0.64 0.12 0.00 -1.36 0.00 0.00 31.31 30.03 1blb n TRP 65 CO 0.00 0.00 0.00 0.38 -2.29 0.00 0.00 177.69 175.78 1blb h ASP 66 N 0.00 0.04 0.00 -0.67 3.04 -1.97 -2.51 116.42 114.35 1blb h ASP 66 Ca 0.43 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 54.33 1blb h ASP 66 Cb 1.43 0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.87 1blb h ASP 66 CO -0.19 0.02 0.00 -1.54 -2.04 0.00 0.00 179.24 175.49 1blb n SER 67 N -5.11 0.07 -0.72 4.15 3.41 -1.04 -2.27 113.62 112.11 1blb n SER 67 Ca 0.10 -0.34 -0.03 0.00 -0.26 0.00 0.00 58.87 58.33 1blb n SER 67 Cb 0.34 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1blb n SER 67 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1blb n TRP 68 N -0.15 0.00 -0.62 7.33 2.14 -0.95 -4.88 117.44 120.30 1blb n TRP 68 Ca 0.00 -0.25 0.07 0.00 2.07 0.00 0.00 57.50 59.39 1blb n TRP 68 Cb 0.02 0.37 0.21 0.00 -0.81 0.00 0.00 31.31 31.09 1blb n TRP 68 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1blb n THR 69 N 0.00 1.70 0.00 -1.67 -2.24 -0.96 -4.86 114.28 106.25 1blb n THR 69 Ca -0.14 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.15 1blb n THR 69 Cb 0.48 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1blb n THR 69 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1blb n SER 70 N -0.09 0.00 -0.44 3.42 7.64 -1.26 0.62 113.62 123.50 1blb n SER 70 Ca 0.17 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.10 1blb n SER 70 Cb 0.67 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 64.08 1blb n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1blb n SER 370 N 0.00 1.30 0.00 6.43 7.64 -1.26 -4.92 113.62 122.81 1blb n SER 370 Ca 0.00 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1blb n SER 370 Cb 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1blb n SER 370 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1blb n ARG 71 N 0.17 0.00 0.00 1.43 -4.01 0.20 -5.16 116.66 109.29 1blb n ARG 71 Ca 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 1blb n ARG 71 Cb 0.22 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.64 1blb n ARG 71 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1blb n ARG 371 N 1.73 2.62 0.00 2.89 3.00 -0.82 -4.88 116.66 121.20 1blb n ARG 371 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1blb n ARG 371 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1blb n ARG 371 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1blb n THR 72 N 0.00 0.00 -1.75 0.55 -2.24 -1.26 -5.08 114.28 104.50 1blb n THR 72 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1blb n THR 72 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1blb n THR 72 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1blb n ASP 73 N 0.00 0.00 -3.63 3.42 5.75 -1.26 -5.12 116.55 115.71 1blb n ASP 73 Ca 0.00 -0.81 -0.16 0.00 -0.01 0.00 0.00 54.79 53.81 1blb n ASP 73 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1blb n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1blb s SER 74 N 0.00 -0.50 0.09 -1.12 0.01 -1.26 -4.81 113.70 106.11 1blb s SER 74 Ca 0.00 0.61 0.09 0.00 1.31 0.00 0.00 55.95 57.96 1blb s SER 74 Cb 0.00 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 1blb s SER 74 CO 0.00 -0.47 -0.24 -0.22 0.41 0.00 0.00 173.24 172.72 1blb s LEU 75 N -0.92 2.40 0.00 2.44 2.96 -1.26 -4.91 118.68 119.39 1blb s LEU 75 Ca -0.10 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 1blb s LEU 75 Cb -0.02 -1.35 0.00 0.00 0.50 0.00 0.00 46.19 45.31 1blb s LEU 75 CO 0.06 0.21 0.00 -1.54 -1.32 0.00 0.00 176.35 173.77 1blb n SER 76 N 1.23 0.00 -3.78 3.68 3.41 -1.02 -4.79 113.62 112.35 1blb n SER 76 Ca -0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.30 1blb n SER 76 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 1blb n SER 76 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1blb s SER 77 N 0.00 0.04 0.39 4.04 0.01 -1.25 -2.63 113.70 114.30 1blb s SER 77 Ca 0.00 0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.40 1blb s SER 77 Cb 0.00 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1blb s SER 77 CO 0.00 -0.11 0.37 -0.76 0.41 0.00 0.00 173.24 173.15 1blb s LEU 78 N 0.91 3.52 0.00 2.44 2.01 -1.00 -2.39 118.68 124.16 1blb s LEU 78 Ca -0.07 -0.60 0.00 0.00 0.01 0.00 0.00 54.13 53.46 1blb s LEU 78 Cb -0.11 -2.20 0.00 0.00 0.01 0.00 0.00 46.19 43.89 1blb s LEU 78 CO -0.03 -0.55 0.00 -1.14 1.01 0.00 0.00 176.35 175.64 1blb n ARG 79 N -1.52 0.00 -1.06 1.70 0.63 -1.11 -2.16 116.66 113.14 1blb n ARG 79 Ca 0.02 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.63 1blb n ARG 79 Cb 0.61 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.64 1blb n ARG 79 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1blb s PRO 80 N 0.00 1.69 -0.10 -0.14 0.02 -1.26 -0.71 135.00 134.50 1blb s PRO 80 Ca 0.00 1.47 -0.01 0.00 0.02 0.00 0.00 61.00 62.48 1blb s PRO 80 Cb 0.00 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 1blb s PRO 80 CO 0.00 -2.12 -0.04 0.42 -0.33 0.00 0.00 177.00 174.93 1blb s ILE 81 N -2.58 3.92 -0.69 2.83 1.09 -0.71 -4.71 121.20 120.35 1blb s ILE 81 Ca 0.67 -0.38 -0.23 0.00 -1.10 0.00 0.00 60.65 59.61 1blb s ILE 81 Cb -0.22 -2.64 0.07 0.00 -1.06 0.00 0.00 42.46 38.61 1blb s ILE 81 CO 0.54 0.57 1.00 -0.75 -0.10 0.00 0.00 174.94 176.20 1blb s LYS 82 N -0.51 3.15 -0.01 2.79 2.20 -1.26 -4.84 119.74 121.26 1blb s LYS 82 Ca 0.08 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 1blb s LYS 82 Cb -0.12 -4.29 -0.06 0.00 -1.51 0.00 0.00 37.83 31.86 1blb s LYS 82 CO 0.02 -1.84 1.46 0.08 -0.36 0.00 0.00 175.35 174.71 1blb s VAL 83 N 4.08 3.65 -0.98 4.02 1.01 -1.26 -4.94 120.40 125.98 1blb s VAL 83 Ca 0.24 0.99 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 1blb s VAL 83 Cb -0.15 -3.64 0.29 0.00 0.00 0.00 0.00 36.38 32.88 1blb s VAL 83 CO 0.09 -0.02 1.29 -0.67 0.00 0.00 0.00 175.10 175.79 1blb n ASP 84 N 5.77 5.75 -4.25 3.32 2.03 -1.26 -4.99 116.55 122.91 1blb n ASP 84 Ca 0.14 -3.40 -0.35 0.00 0.52 0.00 0.00 54.79 51.70 1blb n ASP 84 Cb 0.43 -1.13 -0.14 0.00 -0.72 0.00 0.00 41.12 39.55 1blb n ASP 84 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1blb s SER 85 N -1.81 4.03 0.05 1.67 0.15 -1.26 -5.11 113.70 111.42 1blb s SER 85 Ca 0.33 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1blb s SER 85 Cb 0.06 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 1blb s SER 85 CO 0.07 -0.03 0.08 0.00 1.20 0.00 0.00 173.24 174.56 1blb s GLN 86 N 1.42 2.94 -0.17 5.44 1.03 -1.26 -5.13 119.66 123.92 1blb s GLN 86 Ca 0.05 -0.62 -0.15 0.00 0.04 0.00 0.00 55.36 54.68 1blb s GLN 86 Cb -0.14 -2.77 0.04 0.00 0.03 0.00 0.00 33.01 30.18 1blb s GLN 86 CO -0.06 0.59 0.45 -1.83 -2.54 0.00 0.00 175.29 171.90 1blb s GLU 87 N -2.15 0.51 -0.59 9.60 -1.05 -1.26 -5.12 118.70 118.65 1blb s GLU 87 Ca 0.27 0.64 -0.16 0.00 -0.15 0.00 0.00 54.97 55.56 1blb s GLU 87 Cb -0.12 0.23 0.14 0.00 -0.44 0.00 0.00 34.13 33.94 1blb s GLU 87 CO 0.19 -0.07 0.57 -1.01 0.95 0.00 0.00 175.26 175.89 1blb s HIS 88 N 0.33 3.26 0.77 4.83 3.76 -1.26 -4.86 115.29 122.12 1blb s HIS 88 Ca -0.01 -1.32 -0.12 0.00 -0.15 0.00 0.00 55.06 53.47 1blb s HIS 88 Cb -0.03 -3.85 0.05 0.00 1.11 0.00 0.00 32.58 29.86 1blb s HIS 88 CO -0.01 -1.07 1.11 0.15 -0.85 0.00 0.00 174.74 174.07 1blb s LYS 89 N 1.64 2.35 -0.27 1.40 1.02 -1.26 -2.60 119.74 122.02 1blb s LYS 89 Ca 0.07 0.48 -0.13 0.00 0.02 0.00 0.00 55.97 56.41 1blb s LYS 89 Cb -0.26 -1.96 0.09 0.00 -0.52 0.00 0.00 37.83 35.18 1blb s LYS 89 CO 0.02 -1.40 0.62 -1.50 -0.92 0.00 0.00 175.35 172.17 1blb s ILE 90 N -3.30 -0.34 -0.07 2.17 2.07 -0.50 -2.44 121.20 118.80 1blb s ILE 90 Ca 0.60 0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.90 1blb s ILE 90 Cb -0.13 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1blb s ILE 90 CO 0.53 0.01 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.50 1blb s THR 91 N 2.05 1.54 -0.11 4.00 2.01 0.14 -1.54 115.64 123.73 1blb s THR 91 Ca -0.08 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1blb s THR 91 Cb -0.08 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 1blb s THR 91 CO -0.18 0.44 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.28 1blb s LEU 92 N 0.31 2.62 -0.17 4.42 1.02 -0.45 0.25 118.68 126.67 1blb s LEU 92 Ca -0.11 -0.34 -0.04 0.00 0.02 0.00 0.00 54.13 53.65 1blb s LEU 92 Cb -0.15 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 1blb s LEU 92 CO 0.05 0.20 -0.02 -0.31 0.02 0.00 0.00 176.35 176.28 1blb s TYR 93 N 0.16 3.05 0.28 0.29 2.02 0.15 0.36 117.35 123.65 1blb s TYR 93 Ca -0.08 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.35 1blb s TYR 93 Cb -0.15 -2.01 0.40 0.00 -0.40 0.00 0.00 41.96 39.80 1blb s TYR 93 CO 0.05 -0.09 1.67 1.49 -1.57 0.00 0.00 175.55 177.11 1blb h GLU 94 N 6.96 0.29 -6.22 -0.62 4.81 -1.07 0.69 114.58 119.42 1blb h GLU 94 Ca -0.33 -0.14 -0.67 0.00 -0.13 0.00 0.00 59.36 58.08 1blb h GLU 94 Cb 1.18 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 1blb h GLU 94 CO 0.63 0.67 -0.67 0.54 -0.73 0.00 0.00 179.01 179.45 1blb s ASN 95 N -6.87 4.88 0.98 1.04 6.03 -0.80 -4.37 114.94 115.83 1blb s ASN 95 Ca -0.05 -0.07 -0.11 0.00 -1.03 0.00 0.00 52.86 51.59 1blb s ASN 95 Cb 0.13 -1.21 0.18 0.00 -3.03 0.00 0.00 41.25 37.32 1blb s ASN 95 CO 0.78 0.28 1.09 -2.84 -2.03 0.00 0.00 177.10 174.38 1blb s PRO 96 N -1.48 0.50 -1.46 3.55 0.02 -1.26 -2.82 135.00 132.05 1blb s PRO 96 Ca 0.18 1.09 -0.08 0.00 0.02 0.00 0.00 61.00 62.22 1blb s PRO 96 Cb -0.11 -1.70 0.03 0.00 0.02 0.00 0.00 34.50 32.74 1blb s PRO 96 CO 0.09 -2.84 0.71 0.09 -0.33 0.00 0.00 177.00 174.72 1blb n ASN 97 N -4.33 -5.43 -3.36 2.53 4.13 -1.26 -3.49 115.26 104.05 1blb n ASN 97 Ca 0.07 -0.41 -0.17 0.00 1.68 0.00 0.00 54.58 55.75 1blb n ASN 97 Cb 0.54 -4.38 0.07 0.00 -1.54 0.00 0.00 39.78 34.47 1blb n ASN 97 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1blb n PHE 98 N -4.47 -2.32 -4.14 3.10 3.72 -1.26 -5.04 117.46 107.05 1blb n PHE 98 Ca -0.05 0.83 -0.13 0.00 -0.05 0.00 0.00 57.45 58.06 1blb n PHE 98 Cb 0.58 -4.27 -0.07 0.00 -0.94 0.00 0.00 39.48 34.77 1blb n PHE 98 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1blb s THR 99 N -3.41 0.00 0.00 4.37 -4.23 -1.13 -5.09 115.64 106.16 1blb s THR 99 Ca 0.34 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1blb s THR 99 Cb -0.06 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1blb s THR 99 CO 0.75 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 1blb n GLY 100 N -0.39 0.42 3.76 3.99 0.00 -1.26 -1.91 105.19 109.79 1blb n GLY 100 Ca 0.02 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 1blb n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1blb s LYS 101 N 0.00 4.77 0.01 1.61 1.02 -1.26 -4.93 119.74 120.96 1blb s LYS 101 Ca 0.00 1.48 -0.02 0.00 0.02 0.00 0.00 55.97 57.45 1blb s LYS 101 Cb 0.00 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 1blb s LYS 101 CO 0.00 0.43 0.02 -1.59 -0.92 0.00 0.00 175.35 173.30 1blb s LYS 102 N -1.41 0.31 -0.37 1.68 -2.85 -1.26 -1.67 119.74 114.17 1blb s LYS 102 Ca 0.44 -0.45 -0.14 0.00 -1.00 0.00 0.00 55.97 54.82 1blb s LYS 102 Cb -0.25 0.12 -0.00 0.00 -2.06 0.00 0.00 37.83 35.64 1blb s LYS 102 CO 0.31 -0.06 0.29 1.41 0.10 0.00 0.00 175.35 177.40 1blb s MET 103 N -1.20 3.28 -0.36 1.78 1.75 0.16 -4.92 119.30 119.80 1blb s MET 103 Ca -0.13 -0.76 -0.19 0.00 -1.25 0.00 0.00 55.69 53.36 1blb s MET 103 Cb -0.08 -3.88 -0.00 0.00 2.84 0.00 0.00 34.83 33.71 1blb s MET 103 CO -0.00 -0.60 0.54 -2.00 -0.65 0.00 0.00 175.02 172.30 1blb s GLU 104 N 1.78 3.59 -0.12 4.11 2.12 -1.26 -1.34 118.70 127.57 1blb s GLU 104 Ca 0.07 -0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.23 1blb s GLU 104 Cb -0.18 -3.82 -0.02 0.00 0.26 0.00 0.00 34.13 30.37 1blb s GLU 104 CO 0.11 -0.68 -0.10 0.08 -0.54 0.00 0.00 175.26 174.12 1blb s VAL 105 N 2.45 3.32 -0.25 3.70 1.01 -0.59 -5.03 120.40 125.02 1blb s VAL 105 Ca 0.19 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1blb s VAL 105 Cb -0.15 -2.40 0.10 0.00 0.00 0.00 0.00 36.38 33.92 1blb s VAL 105 CO 0.14 0.53 0.17 -0.51 0.00 0.00 0.00 175.10 175.43 1blb s ILE 106 N 0.17 -0.18 0.00 2.22 2.07 -1.26 -1.41 121.20 122.81 1blb s ILE 106 Ca -0.06 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 1blb s ILE 106 Cb -0.15 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1blb s ILE 106 CO 0.04 -0.51 0.00 0.47 -1.91 0.00 0.00 174.94 173.04 1blb n ASP 306 N 5.28 0.00 -4.87 4.50 9.92 -1.07 -4.86 116.55 125.45 1blb n ASP 306 Ca -0.05 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.90 1blb n ASP 306 Cb 0.45 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1blb n ASP 306 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1blb s ASP 107 N 0.00 6.35 0.83 -2.24 1.01 -1.26 -4.89 116.67 116.47 1blb s ASP 107 Ca 0.00 1.38 -0.11 0.00 0.71 0.00 0.00 52.55 54.53 1blb s ASP 107 Cb 0.00 -2.45 0.12 0.00 1.01 0.00 0.00 42.92 41.60 1blb s ASP 107 CO 0.00 -0.74 1.17 -1.81 0.21 0.00 0.00 175.17 174.01 1blb s ASP 108 N -3.84 4.13 -0.30 0.27 1.11 -1.26 -4.84 116.67 111.94 1blb s ASP 108 Ca 0.55 0.46 -0.02 0.00 0.18 0.00 0.00 52.55 53.72 1blb s ASP 108 Cb -0.11 -0.84 0.19 0.00 1.07 0.00 0.00 42.92 43.23 1blb s ASP 108 CO 0.46 -2.09 0.66 0.68 1.18 0.00 0.00 175.17 176.05 1blb s VAL 109 N -3.57 -0.91 -1.33 -1.27 -7.23 -0.98 -5.00 120.40 100.11 1blb s VAL 109 Ca 0.66 0.00 0.29 0.00 -1.81 0.00 0.00 61.98 61.12 1blb s VAL 109 Cb -0.08 -1.00 0.37 0.00 0.56 0.00 0.00 36.38 36.23 1blb s VAL 109 CO 0.49 0.00 1.90 -2.65 -0.31 0.00 0.00 175.10 174.52 1blb n PRO 110 N 5.43 0.34 -3.45 4.82 -0.02 -1.26 -0.63 135.00 140.22 1blb n PRO 110 Ca -0.01 -0.07 -0.25 0.00 -2.02 0.00 0.00 63.50 61.15 1blb n PRO 110 Cb 0.52 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.38 1blb n PRO 110 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1blb s SER 111 N -2.71 2.55 0.36 2.55 1.04 -1.20 -1.62 113.70 114.67 1blb s SER 111 Ca 0.23 -1.61 0.06 0.00 0.48 0.00 0.00 55.95 55.11 1blb s SER 111 Cb 0.20 -0.05 0.68 0.00 0.10 0.00 0.00 66.02 66.95 1blb s SER 111 CO 0.51 -0.35 1.90 -0.26 0.98 0.00 0.00 173.24 176.03 1blb h PHE 112 N 7.58 0.45 -0.04 5.02 -1.00 1.23 -2.08 116.94 128.11 1blb h PHE 112 Ca -0.04 -0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.63 1blb h PHE 112 Cb 1.01 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 1blb h PHE 112 CO 0.35 0.46 -0.32 0.45 -1.61 0.00 0.00 178.31 177.64 1blb h HIS 113 N 0.42 0.08 -0.04 -0.55 3.86 -1.70 0.27 115.15 117.49 1blb h HIS 113 Ca 0.09 -0.02 -0.22 0.00 -1.16 0.00 0.00 60.37 59.07 1blb h HIS 113 Cb 0.31 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1blb h HIS 113 CO 0.01 0.39 -0.89 0.00 0.86 0.00 0.00 177.93 178.30 1blb h ALA 114 N 1.61 0.37 -0.11 2.45 0.00 -1.66 -3.11 119.26 118.81 1blb h ALA 114 Ca 0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1blb h ALA 114 Cb 0.61 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1blb h ALA 114 CO 0.04 0.77 0.07 0.72 0.00 0.00 0.00 179.25 180.86 1blb n HIS 116 N -3.81 0.35 -3.13 0.00 -0.00 -1.18 -4.78 115.22 102.67 1blb n HIS 116 Ca -0.07 -0.64 -0.23 0.00 -0.00 0.00 0.00 57.72 56.78 1blb n HIS 116 Cb 0.80 -0.33 0.03 0.00 -0.00 0.00 0.00 29.99 30.50 1blb n HIS 116 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1blb n GLY 117 N 0.31 -0.52 3.08 -1.41 0.00 -1.17 -4.95 105.19 100.52 1blb n GLY 117 Ca 0.07 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1blb n GLY 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1blb s TYR 118 N -3.16 3.53 -0.20 1.61 5.04 0.93 -4.92 117.35 120.19 1blb s TYR 118 Ca 0.35 -2.64 -0.21 0.00 -2.44 0.00 0.00 57.07 52.12 1blb s TYR 118 Cb -0.16 -3.14 -0.20 0.00 0.35 0.00 0.00 41.96 38.81 1blb s TYR 118 CO 0.43 -0.92 0.24 1.96 -1.34 0.00 0.00 175.55 175.92 1blb h GLN 318 N 7.60 0.02 -5.88 4.97 1.08 -1.86 -2.86 115.11 118.17 1blb h GLN 318 Ca -0.08 -0.03 -0.29 0.00 -1.45 0.00 0.00 58.65 56.79 1blb h GLN 318 Cb 1.01 0.01 0.16 0.00 -0.05 0.00 0.00 27.48 28.60 1blb h GLN 318 CO 0.68 1.01 -1.14 0.39 -0.95 0.00 0.00 178.83 178.82 1blb n GLU 119 N -4.38 -0.87 -3.67 1.46 4.71 -1.26 -4.96 120.64 111.67 1blb n GLU 119 Ca -0.31 -0.25 -0.22 0.00 -0.01 0.00 0.00 57.16 56.36 1blb n GLU 119 Cb 0.70 -1.24 -0.01 0.00 -1.01 0.00 0.00 31.44 29.88 1blb n GLU 119 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1blb s LYS 120 N -2.63 3.38 -0.10 3.49 0.00 -1.26 -4.97 119.74 117.65 1blb s LYS 120 Ca 0.30 -0.67 0.01 0.00 0.00 0.00 0.00 55.97 55.62 1blb s LYS 120 Cb 0.00 -2.80 -0.02 0.00 0.00 0.00 0.00 37.83 35.02 1blb s LYS 120 CO 0.41 0.25 -0.14 0.14 0.00 0.00 0.00 175.35 176.01 1blb s VAL 121 N -2.14 2.99 0.00 1.79 -7.23 -1.25 -2.64 120.40 111.92 1blb s VAL 121 Ca 0.38 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1blb s VAL 121 Cb -0.09 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1blb s VAL 121 CO 0.32 0.55 0.00 -1.54 -0.31 0.00 0.00 175.10 174.12 1blb n SER 122 N 3.10 3.67 -4.23 4.85 3.41 0.24 -4.52 113.62 120.14 1blb n SER 122 Ca -0.18 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.15 1blb n SER 122 Cb 0.53 0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 64.67 1blb n SER 122 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1blb s SER 123 N -2.57 2.55 -0.06 4.04 0.01 -1.23 -2.62 113.70 113.83 1blb s SER 123 Ca 0.00 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1blb s SER 123 Cb 0.00 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.91 1blb s SER 123 CO 0.00 0.26 -0.11 -0.69 0.41 0.00 0.00 173.24 173.11 1blb s VAL 124 N -0.45 0.99 -0.18 3.43 1.01 -0.96 -0.68 120.40 123.56 1blb s VAL 124 Ca 0.07 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1blb s VAL 124 Cb -0.09 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1blb s VAL 124 CO -0.00 0.32 -0.14 0.00 0.00 0.00 0.00 175.10 175.27 1blb s ARG 125 N 0.63 2.41 -0.46 2.72 1.70 0.14 -0.52 118.95 125.56 1blb s ARG 125 Ca -0.12 -0.79 -0.18 0.00 -0.47 0.00 0.00 55.73 54.18 1blb s ARG 125 Cb -0.15 -2.40 0.04 0.00 -0.57 0.00 0.00 34.95 31.88 1blb s ARG 125 CO 0.03 -0.31 0.50 0.08 -1.08 0.00 0.00 175.30 174.51 1blb s VAL 126 N 1.37 5.04 0.02 4.99 1.01 0.22 0.25 120.40 133.31 1blb s VAL 126 Ca 0.02 -0.54 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1blb s VAL 126 Cb -0.14 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.91 1blb s VAL 126 CO -0.10 -0.59 1.25 1.56 0.00 0.00 0.00 175.10 177.22 1blb h GLN 127 N 8.83 0.34 -3.23 2.72 1.08 -1.81 -3.14 115.11 119.90 1blb h GLN 127 Ca -0.27 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1blb h GLN 127 Cb 1.10 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.49 1blb h GLN 127 CO 0.87 0.84 0.09 -1.54 -0.95 0.00 0.00 178.83 178.14 1blb s SER 128 N -6.28 -0.26 0.08 1.46 1.04 -1.02 -4.85 113.70 103.88 1blb s SER 128 Ca -0.14 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1blb s SER 128 Cb 0.04 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1blb s SER 128 CO 0.76 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1blb n GLY 129 N -0.39 -1.66 3.30 7.32 0.00 -1.26 -4.05 105.19 108.45 1blb n GLY 129 Ca -0.07 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1blb n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1blb s THR 130 N -1.63 3.05 0.07 2.61 2.01 -1.26 -3.86 115.64 116.63 1blb s THR 130 Ca 0.00 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.47 1blb s THR 130 Cb 0.00 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1blb s THR 130 CO 0.00 0.48 -0.25 0.26 -0.69 0.00 0.00 174.62 174.42 1blb s TRP 131 N 1.08 2.36 -0.12 4.92 0.52 -1.15 0.31 118.94 126.85 1blb s TRP 131 Ca 0.00 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.77 1blb s TRP 131 Cb -0.15 -1.37 0.00 0.00 -1.15 0.00 0.00 33.47 30.81 1blb s TRP 131 CO -0.02 0.20 -0.21 0.08 0.02 0.00 0.00 176.95 177.03 1blb s VAL 132 N -0.89 2.28 -0.20 4.03 1.01 -1.05 0.12 120.40 125.69 1blb s VAL 132 Ca 0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1blb s VAL 132 Cb -0.10 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1blb s VAL 132 CO 0.04 0.55 -0.09 -0.83 0.00 0.00 0.00 175.10 174.76 1blb s GLY 133 N 0.54 1.54 0.13 4.51 0.00 0.57 -2.12 107.32 112.50 1blb s GLY 133 Ca -0.13 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.37 1blb s GLY 133 CO 0.04 0.34 0.39 -0.19 0.00 0.00 0.00 173.10 173.69 1blb s TYR 134 N 1.35 3.49 0.08 1.90 1.51 -1.23 0.18 117.35 124.63 1blb s TYR 134 Ca 0.04 0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 56.62 1blb s TYR 134 Cb -0.14 -2.06 -0.23 0.00 -0.11 0.00 0.00 41.96 39.42 1blb s TYR 134 CO -0.05 0.44 1.17 -0.56 -1.11 0.00 0.00 175.55 175.44 1blb h GLN 135 N 3.02 0.58 -6.35 -0.62 3.07 -1.23 -2.96 115.11 110.63 1blb h GLN 135 Ca -0.47 -0.71 -0.45 0.00 0.09 0.00 0.00 58.65 57.12 1blb h GLN 135 Cb 1.17 0.22 0.00 0.00 0.08 0.00 0.00 27.48 28.95 1blb h GLN 135 CO 0.71 1.30 -0.30 0.71 0.09 0.00 0.00 178.83 181.34 1blb s TYR 136 N -3.12 2.74 0.61 0.06 2.02 -0.35 -2.37 117.35 116.94 1blb s TYR 136 Ca -0.08 -0.44 -0.10 0.00 -0.37 0.00 0.00 57.07 56.07 1blb s TYR 136 Cb 0.07 -2.30 0.16 0.00 -0.40 0.00 0.00 41.96 39.48 1blb s TYR 136 CO 0.91 -0.33 0.35 -2.30 -1.57 0.00 0.00 175.55 172.61 1blb n PRO 137 N -1.75 -2.94 -1.66 -1.71 -0.02 -1.26 -3.41 135.00 122.25 1blb n PRO 137 Ca 0.07 -0.59 -0.05 0.00 -2.02 0.00 0.00 63.50 60.91 1blb n PRO 137 Cb 0.60 -0.79 -0.01 0.00 -0.02 0.00 0.00 33.50 33.27 1blb n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1blb n GLY 138 N -2.27 0.07 2.96 -1.23 0.00 -0.64 -2.10 105.19 101.98 1blb n GLY 138 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1blb n GLY 138 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1blb n TYR 139 N -1.90 -1.87 -4.02 1.61 4.01 -1.25 -5.03 117.16 108.71 1blb n TYR 139 Ca -0.05 0.74 -0.09 0.00 -0.16 0.00 0.00 57.90 58.35 1blb n TYR 139 Cb 0.30 -4.26 -0.09 0.00 -0.31 0.00 0.00 39.34 34.98 1blb n TYR 139 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1blb s ARG 140 N -4.74 0.87 1.64 -0.72 3.52 -0.89 -5.00 118.95 113.63 1blb s ARG 140 Ca 0.14 -1.20 0.00 0.00 -0.13 0.00 0.00 55.73 54.54 1blb s ARG 140 Cb -0.02 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.66 1blb s ARG 140 CO 0.60 -0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.24 1blb n GLY 141 N -0.06 0.81 3.58 8.12 0.00 -1.26 -1.21 105.19 115.17 1blb n GLY 141 Ca -0.11 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1blb n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1blb s LEU 142 N 0.00 4.15 -0.06 0.99 2.96 -1.26 -4.77 118.68 120.68 1blb s LEU 142 Ca 0.00 0.28 -0.27 0.00 -0.22 0.00 0.00 54.13 53.92 1blb s LEU 142 Cb 0.00 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 1blb s LEU 142 CO 0.00 -0.76 0.86 -1.10 -1.32 0.00 0.00 176.35 174.03 1blb s GLN 143 N 3.14 4.46 -0.12 1.98 -0.21 -1.25 -1.53 119.66 126.13 1blb s GLN 143 Ca 0.31 1.16 0.02 0.00 0.02 0.00 0.00 55.36 56.87 1blb s GLN 143 Cb -0.13 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.39 1blb s GLN 143 CO 0.18 -0.08 -0.18 0.71 -2.12 0.00 0.00 175.29 173.80 1blb s TYR 144 N 1.22 2.70 0.06 0.91 2.02 0.49 -4.91 117.35 119.84 1blb s TYR 144 Ca 0.44 -0.85 -0.20 0.00 -0.37 0.00 0.00 57.07 56.09 1blb s TYR 144 Cb -0.19 -1.79 -0.06 0.00 -0.40 0.00 0.00 41.96 39.52 1blb s TYR 144 CO 0.21 -0.32 0.58 -1.17 -1.57 0.00 0.00 175.55 173.28 1blb s LEU 145 N 0.38 4.50 -0.38 -1.29 2.96 -1.26 0.21 118.68 123.81 1blb s LEU 145 Ca -0.14 1.25 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 1blb s LEU 145 Cb -0.17 -2.92 0.15 0.00 0.50 0.00 0.00 46.19 43.75 1blb s LEU 145 CO 0.07 0.23 0.27 -0.76 -1.32 0.00 0.00 176.35 174.84 1blb s LEU 146 N -0.87 1.08 0.57 -0.68 1.02 0.31 -4.91 118.68 115.20 1blb s LEU 146 Ca 0.30 -2.51 -0.05 0.00 0.02 0.00 0.00 54.13 51.89 1blb s LEU 146 Cb -0.19 -0.36 0.01 0.00 0.02 0.00 0.00 46.19 45.67 1blb s LEU 146 CO 0.19 -0.25 0.87 -1.61 0.02 0.00 0.00 176.35 175.57 1blb s GLU 147 N 0.68 2.93 -0.12 1.70 2.02 -1.26 -2.95 118.70 121.70 1blb s GLU 147 Ca 0.24 -0.07 -0.20 0.00 0.02 0.00 0.00 54.97 54.96 1blb s GLU 147 Cb -0.12 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 31.71 1blb s GLU 147 CO -0.07 -0.65 0.62 1.17 0.02 0.00 0.00 175.26 176.35 1blb n LYS 148 N -2.52 0.00 -0.01 1.61 4.81 -1.25 -4.73 118.16 116.07 1blb n LYS 148 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1blb n LYS 148 Cb 0.58 -0.69 0.00 0.00 0.02 0.00 0.00 35.03 34.94 1blb n LYS 148 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1blb n GLY 149 N 1.29 0.98 3.46 3.14 0.00 -1.19 -4.99 105.19 107.88 1blb n GLY 149 Ca 0.12 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1blb n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1blb s ASP 150 N -4.00 3.81 -0.17 1.61 1.11 -1.26 -0.61 116.67 117.17 1blb s ASP 150 Ca 0.00 -0.47 -0.01 0.00 0.18 0.00 0.00 52.55 52.26 1blb s ASP 150 Cb 0.00 -0.59 0.04 0.00 1.07 0.00 0.00 42.92 43.45 1blb s ASP 150 CO 0.00 0.23 -0.04 -0.31 1.18 0.00 0.00 175.17 176.24 1blb s TYR 151 N -0.98 1.59 0.00 4.23 1.51 0.32 -5.00 117.35 119.02 1blb s TYR 151 Ca 0.15 -1.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 1blb s TYR 151 Cb -0.10 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1blb s TYR 151 CO 0.07 -0.61 0.00 1.63 -1.11 0.00 0.00 175.55 175.53 1blb n LYS 152 N 4.90 0.00 -2.90 -0.62 5.02 -1.26 -2.26 118.16 121.04 1blb n LYS 152 Ca -0.11 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.00 1blb n LYS 152 Cb 0.48 -0.37 0.03 0.00 -0.02 0.00 0.00 35.03 35.15 1blb n LYS 152 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1blb n ASP 153 N 0.00 1.98 -0.28 4.39 5.75 -1.26 -4.41 116.55 122.72 1blb n ASP 153 Ca 0.00 -2.36 0.32 0.00 -0.01 0.00 0.00 54.79 52.74 1blb n ASP 153 Cb 0.00 -0.23 0.72 0.00 -1.03 0.00 0.00 41.12 40.58 1blb n ASP 153 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1blb h SER 154 N 0.25 0.05 0.00 -1.12 4.64 -1.82 0.52 113.55 116.08 1blb h SER 154 Ca -0.24 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1blb h SER 154 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1blb h SER 154 CO 0.36 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1blb n GLY 155 N -1.72 -2.87 0.00 -0.77 0.00 -1.26 0.90 105.19 99.47 1blb n GLY 155 Ca 0.23 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1blb n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1blb n ASP 156 N -1.39 0.00 0.10 1.61 8.00 0.18 0.49 116.55 125.54 1blb n ASP 156 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1blb n ASP 156 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1blb n ASP 156 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1blb h PHE 157 N 0.00 0.00 0.00 1.24 -5.15 -1.00 -3.45 116.94 108.58 1blb h PHE 157 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1blb h PHE 157 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1blb h PHE 157 CO 0.00 0.69 0.00 0.41 -2.00 0.00 0.00 178.31 177.41 1blb n GLY 158 N 1.30 0.76 2.64 6.09 0.00 1.79 -4.77 105.19 113.00 1blb n GLY 158 Ca -0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1blb n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1blb n ALA 159 N 0.00 3.95 -0.22 4.61 0.00 0.26 -4.87 120.51 124.23 1blb n ALA 159 Ca 0.00 -4.70 -0.05 0.00 0.00 0.00 0.00 53.44 48.69 1blb n ALA 159 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1blb n ALA 159 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1blb n PRO 160 N 1.28 -0.22 -3.90 0.00 -0.01 -1.26 -2.20 135.00 128.68 1blb n PRO 160 Ca 0.26 0.80 -0.30 0.00 -0.01 0.00 0.00 63.50 64.25 1blb n PRO 160 Cb 0.39 -1.18 -0.15 0.00 -0.01 0.00 0.00 33.50 32.54 1blb n PRO 160 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 175.50 176.63 1blb s GLN 161 N -5.30 1.21 -0.07 -0.52 1.03 -1.26 -5.05 119.66 109.71 1blb s GLN 161 Ca -0.07 -1.47 -0.07 0.00 0.04 0.00 0.00 55.36 53.79 1blb s GLN 161 Cb 0.07 -2.67 -0.08 0.00 0.03 0.00 0.00 33.01 30.35 1blb s GLN 161 CO 0.34 -0.92 0.89 -2.30 -2.54 0.00 0.00 175.29 170.76 1blb n PRO 162 N 4.53 0.01 -4.38 9.60 -0.01 -0.94 -4.77 135.00 139.04 1blb n PRO 162 Ca -0.00 -0.29 -0.29 0.00 -0.01 0.00 0.00 63.50 62.90 1blb n PRO 162 Cb 0.42 -1.46 -0.17 0.00 -0.01 0.00 0.00 33.50 32.29 1blb n PRO 162 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 175.50 174.35 1blb s GLN 163 N 4.45 2.36 -0.02 -0.52 0.74 -1.26 -3.90 119.66 121.50 1blb s GLN 163 Ca 0.18 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.99 1blb s GLN 163 Cb 0.02 -2.02 0.01 0.00 1.10 0.00 0.00 33.01 32.13 1blb s GLN 163 CO 0.08 -0.10 -0.03 0.08 -0.55 0.00 0.00 175.29 174.77 1blb s VAL 164 N 1.08 0.33 0.00 1.34 1.01 -1.24 -4.29 120.40 118.63 1blb s VAL 164 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1blb s VAL 164 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1blb s VAL 164 CO -0.04 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.21 1blb n GLN 165 N 3.68 2.33 -3.89 2.72 6.02 -1.00 -4.80 117.38 122.44 1blb n GLN 165 Ca -0.22 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.60 1blb n GLN 165 Cb 0.53 -0.81 -0.06 0.00 1.02 0.00 0.00 30.24 30.92 1blb n GLN 165 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1blb n SER 166 N -1.03 -0.07 -3.30 1.08 3.41 -1.24 0.52 113.62 112.99 1blb n SER 166 Ca 0.00 -2.81 0.03 0.00 -0.26 0.00 0.00 58.87 55.84 1blb n SER 166 Cb 0.07 1.23 -0.05 0.00 -0.26 0.00 0.00 64.21 65.20 1blb n SER 166 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1blb s VAL 167 N -3.03 -0.04 0.32 -3.33 0.11 0.19 -3.55 120.40 111.07 1blb s VAL 167 Ca 0.28 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.36 1blb s VAL 167 Cb 0.01 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.92 1blb s VAL 167 CO 0.20 0.00 0.43 -2.11 -3.33 0.00 0.00 175.10 170.29 1blb n ARG 168 N 4.16 0.61 -3.63 1.54 1.85 -0.90 -2.31 116.66 117.98 1blb n ARG 168 Ca -0.09 -1.48 -0.29 0.00 -1.00 0.00 0.00 57.85 54.99 1blb n ARG 168 Cb 0.56 -0.20 -0.15 0.00 -1.05 0.00 0.00 32.46 31.62 1blb n ARG 168 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1blb s ARG 169 N -3.46 0.39 -0.25 2.89 3.52 -1.26 -2.53 118.95 118.25 1blb s ARG 169 Ca 0.31 -0.65 -0.39 0.00 -0.13 0.00 0.00 55.73 54.87 1blb s ARG 169 Cb -0.02 -1.57 -0.15 0.00 -1.56 0.00 0.00 34.95 31.65 1blb s ARG 169 CO 0.20 -0.94 1.81 -0.89 -0.81 0.00 0.00 175.30 174.67 1blb n ILE 170 N 5.11 0.36 -0.07 4.11 2.08 0.15 -4.80 119.36 126.29 1blb n ILE 170 Ca -0.05 -0.08 -0.06 0.00 0.56 0.00 0.00 62.75 63.12 1blb n ILE 170 Cb 0.43 -1.39 -0.14 0.00 -0.75 0.00 0.00 39.64 37.79 1blb n ILE 170 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1blb n ARG 171 N 5.89 0.97 -4.37 0.38 1.74 -1.26 -4.39 116.66 115.61 1blb n ARG 171 Ca 0.27 -0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 57.07 1blb n ARG 171 Cb 0.17 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 1blb n ARG 171 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1blb s ASP 172 N -5.04 3.02 -0.17 0.55 -4.77 -1.26 -5.12 116.67 103.88 1blb s ASP 172 Ca -0.09 -0.85 0.00 0.00 -3.30 0.00 0.00 52.55 48.32 1blb s ASP 172 Cb 0.07 -0.20 0.03 0.00 -1.09 0.00 0.00 42.92 41.73 1blb s ASP 172 CO 0.75 0.04 -0.11 -0.32 0.70 0.00 0.00 175.17 176.23 1blb s MET 173 N -2.67 2.08 0.02 2.11 1.75 -1.26 -5.08 119.30 116.25 1blb s MET 173 Ca 0.17 -0.67 -0.25 0.00 -1.25 0.00 0.00 55.69 53.69 1blb s MET 173 Cb -0.07 -2.22 -0.17 0.00 2.84 0.00 0.00 34.83 35.21 1blb s MET 173 CO 0.08 -0.34 1.40 1.96 -0.65 0.00 0.00 175.02 177.47 1blb h GLN 174 N 8.03 -0.22 -0.03 4.11 7.50 -2.07 -3.57 115.11 128.86 1blb h GLN 174 Ca -0.32 0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.84 1blb h GLN 174 Cb 1.12 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1blb h GLN 174 CO 0.49 0.06 0.00 -2.67 -1.50 0.00 0.00 178.83 175.21