#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf5 s ILE 2 N 0.00 4.15 0.04 -0.39 1.01 -1.26 -3.75 121.20 121.00 1xf5 s ILE 2 Ca 0.00 1.32 -0.01 0.00 0.00 0.00 0.00 60.65 61.96 1xf5 s ILE 2 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1xf5 s ILE 2 CO 0.00 -0.39 -0.03 -1.10 0.00 0.00 0.00 174.94 173.42 1xf5 s GLN 3 N 4.05 0.55 -0.23 2.79 -0.21 -0.68 -5.01 119.66 120.92 1xf5 s GLN 3 Ca 0.57 -1.09 -0.01 0.00 0.02 0.00 0.00 55.36 54.84 1xf5 s GLN 3 Cb -0.18 0.19 0.07 0.00 1.00 0.00 0.00 33.01 34.09 1xf5 s GLN 3 CO 0.21 -0.10 0.02 -0.51 -2.12 0.00 0.00 175.29 172.80 1xf5 s LEU 4 N -2.62 1.79 -0.24 2.90 1.02 -1.26 -1.84 118.68 118.43 1xf5 s LEU 4 Ca 0.02 -1.09 -0.09 0.00 0.02 0.00 0.00 54.13 52.99 1xf5 s LEU 4 Cb 0.04 -0.81 -0.04 0.00 0.02 0.00 0.00 46.19 45.40 1xf5 s LEU 4 CO -0.08 -0.31 0.12 -0.69 0.02 0.00 0.00 176.35 175.41 1xf5 s VAL 5 N 1.68 4.92 0.17 -1.59 1.01 -0.41 -4.20 120.40 121.98 1xf5 s VAL 5 Ca -0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1xf5 s VAL 5 Cb -0.18 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1xf5 s VAL 5 CO -0.11 0.34 0.19 -1.10 0.00 0.00 0.00 175.10 174.42 1xf5 s GLN 6 N 1.28 3.07 1.14 2.72 -0.21 -1.26 -0.01 119.66 126.39 1xf5 s GLN 6 Ca 0.06 -0.82 -0.15 0.00 0.02 0.00 0.00 55.36 54.47 1xf5 s GLN 6 Cb -0.14 -2.73 0.26 0.00 1.00 0.00 0.00 33.01 31.40 1xf5 s GLN 6 CO 0.05 0.48 1.06 -1.54 -2.12 0.00 0.00 175.29 173.22 1xf5 s SER 7 N -3.27 1.33 1.08 5.90 1.04 -0.79 -5.00 113.70 113.98 1xf5 s SER 7 Ca 0.32 1.11 -0.12 0.00 0.48 0.00 0.00 55.95 57.75 1xf5 s SER 7 Cb -0.10 -1.70 0.17 0.00 0.10 0.00 0.00 66.02 64.48 1xf5 s SER 7 CO 0.25 -3.93 0.77 0.61 0.98 0.00 0.00 173.24 171.92 1xf5 n GLY 8 N -0.24 -1.99 3.77 7.32 0.00 -1.26 -4.74 105.19 108.05 1xf5 n GLY 8 Ca 0.07 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 1xf5 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xf5 s PRO 9 N -4.71 4.12 0.05 1.61 0.04 -1.26 -4.67 135.00 130.18 1xf5 s PRO 9 Ca 0.46 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.36 1xf5 s PRO 9 Cb -0.03 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1xf5 s PRO 9 CO 0.34 -0.24 -0.24 -1.21 0.04 0.00 0.00 177.00 175.69 1xf5 s GLU 10 N -2.27 1.61 -0.29 4.56 0.41 -0.81 -4.80 118.70 117.10 1xf5 s GLU 10 Ca 0.56 -1.05 0.02 0.00 -0.41 0.00 0.00 54.97 54.10 1xf5 s GLU 10 Cb -0.29 -1.77 0.08 0.00 -1.78 0.00 0.00 34.13 30.37 1xf5 s GLU 10 CO 0.36 0.45 0.00 -1.17 -0.49 0.00 0.00 175.26 174.42 1xf5 s LEU 11 N -1.24 3.51 0.11 1.80 0.20 -1.26 -0.38 118.68 121.43 1xf5 s LEU 11 Ca 0.10 -1.68 0.08 0.00 0.69 0.00 0.00 54.13 53.32 1xf5 s LEU 11 Cb -0.09 -1.36 -0.04 0.00 -0.43 0.00 0.00 46.19 44.26 1xf5 s LEU 11 CO 0.02 -0.32 -0.12 -0.54 -0.29 0.00 0.00 176.35 175.11 1xf5 s LYS 12 N 1.19 2.04 0.34 1.98 -0.14 0.63 -4.97 119.74 120.82 1xf5 s LYS 12 Ca 0.03 -1.08 -0.14 0.00 -1.36 0.00 0.00 55.97 53.42 1xf5 s LYS 12 Cb -0.19 -2.25 -0.08 0.00 -1.68 0.00 0.00 37.83 33.63 1xf5 s LYS 12 CO -0.10 0.50 0.75 0.15 -0.76 0.00 0.00 175.35 175.88 1xf5 s LYS 13 N -2.25 3.96 0.29 1.68 1.02 -1.24 0.15 119.74 123.36 1xf5 s LYS 13 Ca 0.21 0.64 -0.30 0.00 0.02 0.00 0.00 55.97 56.54 1xf5 s LYS 13 Cb -0.11 -2.41 -0.13 0.00 -0.52 0.00 0.00 37.83 34.66 1xf5 s LYS 13 CO 0.13 0.11 1.35 -2.30 -0.92 0.00 0.00 175.35 173.72 1xf5 n PRO 14 N -0.57 2.10 -0.41 -1.68 -0.02 -1.26 -1.80 135.00 131.36 1xf5 n PRO 14 Ca 0.03 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1xf5 n PRO 14 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1xf5 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf5 n GLY 15 N 1.50 0.98 2.96 -1.23 0.00 0.90 -4.89 105.19 105.41 1xf5 n GLY 15 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1xf5 n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xf5 n GLU 16 N -2.00 0.12 -4.75 1.61 1.02 -0.74 -4.27 120.64 111.62 1xf5 n GLU 16 Ca 0.00 -2.10 -0.30 0.00 -0.02 0.00 0.00 57.16 54.74 1xf5 n GLU 16 Cb 0.00 -0.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.80 1xf5 n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xf5 s THR 17 N -2.25 2.24 0.02 2.62 2.01 -1.26 -1.33 115.64 117.69 1xf5 s THR 17 Ca 0.50 -1.46 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1xf5 s THR 17 Cb -0.03 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1xf5 s THR 17 CO 0.33 0.29 -0.07 0.54 -0.69 0.00 0.00 174.62 175.03 1xf5 s VAL 18 N -0.88 0.50 -0.06 3.82 0.11 -0.56 -5.00 120.40 118.33 1xf5 s VAL 18 Ca 0.13 -0.60 -0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1xf5 s VAL 18 Cb -0.10 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1xf5 s VAL 18 CO 0.03 -0.08 0.04 -0.75 -3.33 0.00 0.00 175.10 171.01 1xf5 s LYS 19 N -0.74 0.20 0.01 1.54 2.20 -1.26 -0.89 119.74 120.80 1xf5 s LYS 19 Ca -0.03 0.24 0.07 0.00 -0.36 0.00 0.00 55.97 55.89 1xf5 s LYS 19 Cb -0.05 -0.78 -0.03 0.00 -1.51 0.00 0.00 37.83 35.46 1xf5 s LYS 19 CO 0.00 -0.34 -0.21 0.96 -0.36 0.00 0.00 175.35 175.40 1xf5 s ILE 20 N 2.09 2.56 0.16 5.43 -4.36 -0.33 -4.95 121.20 121.80 1xf5 s ILE 20 Ca 0.05 -1.11 0.03 0.00 -0.26 0.00 0.00 60.65 59.36 1xf5 s ILE 20 Cb -0.12 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 1xf5 s ILE 20 CO -0.04 0.45 0.25 -0.94 0.24 0.00 0.00 174.94 174.90 1xf5 s SER 21 N -1.07 6.13 -0.33 4.36 1.04 -1.26 -1.45 113.70 121.12 1xf5 s SER 21 Ca 0.12 0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 1xf5 s SER 21 Cb -0.10 -1.79 0.11 0.00 0.10 0.00 0.00 66.02 64.34 1xf5 s SER 21 CO 0.02 0.04 0.14 0.00 0.98 0.00 0.00 173.24 174.42 1xf5 s LYS 23 N 1.51 3.81 0.31 0.00 2.20 0.99 -0.99 119.74 127.56 1xf5 s LYS 23 Ca 0.12 0.12 -0.10 0.00 -0.36 0.00 0.00 55.97 55.74 1xf5 s LYS 23 Cb -0.19 -3.75 -0.07 0.00 -1.51 0.00 0.00 37.83 32.31 1xf5 s LYS 23 CO -0.22 -0.57 0.66 0.00 -0.36 0.00 0.00 175.35 174.85 1xf5 s ALA 24 N 2.50 3.46 0.17 3.13 0.00 0.05 -1.29 121.76 129.78 1xf5 s ALA 24 Ca 0.22 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 1xf5 s ALA 24 Cb -0.15 -2.57 0.06 0.00 0.00 0.00 0.00 23.12 20.46 1xf5 s ALA 24 CO 0.12 0.28 0.59 -1.54 0.00 0.00 0.00 175.76 175.21 1xf5 s SER 25 N -2.69 -0.48 0.00 0.00 1.04 -0.76 -4.83 113.70 105.99 1xf5 s SER 25 Ca 0.50 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1xf5 s SER 25 Cb -0.11 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1xf5 s SER 25 CO 0.24 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1xf5 n GLY 26 N -0.37 1.15 3.60 7.32 0.00 -1.25 -1.69 105.19 113.96 1xf5 n GLY 26 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1xf5 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf5 s TYR 27 N -3.31 -0.13 -0.64 1.61 1.13 -1.26 -4.49 117.35 110.27 1xf5 s TYR 27 Ca 0.00 -0.23 -0.27 0.00 -1.41 0.00 0.00 57.07 55.15 1xf5 s TYR 27 Cb 0.00 0.47 0.03 0.00 -1.10 0.00 0.00 41.96 41.36 1xf5 s TYR 27 CO 0.00 -1.00 1.19 0.95 -2.51 0.00 0.00 175.55 174.18 1xf5 s THR 28 N -3.89 3.96 0.33 -3.49 -4.23 -1.26 -4.89 115.64 102.17 1xf5 s THR 28 Ca 0.10 0.61 0.13 0.00 -1.18 0.00 0.00 61.69 61.35 1xf5 s THR 28 Cb -0.02 -4.78 0.37 0.00 1.34 0.00 0.00 72.50 69.41 1xf5 s THR 28 CO -0.00 -1.51 1.52 0.33 -0.54 0.00 0.00 174.62 174.42 1xf5 n PHE 29 N 8.66 0.92 1.80 3.99 7.35 -1.26 -1.25 117.46 137.67 1xf5 n PHE 29 Ca 0.05 1.15 0.10 0.00 -0.76 0.00 0.00 57.45 57.99 1xf5 n PHE 29 Cb 0.49 -1.41 0.58 0.00 0.35 0.00 0.00 39.48 39.49 1xf5 n PHE 29 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1xf5 n THR 30 N -5.29 0.00 0.43 -2.13 -1.04 -1.26 -3.71 114.28 101.28 1xf5 n THR 30 Ca 0.31 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.43 1xf5 n THR 30 Cb 1.04 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 69.14 1xf5 n THR 30 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1xf5 n ASP 31 N -0.84 0.57 -4.12 8.00 8.00 -0.38 -4.24 116.55 123.54 1xf5 n ASP 31 Ca 0.15 -0.13 -0.24 0.00 0.71 0.00 0.00 54.79 55.28 1xf5 n ASP 31 Cb 0.07 0.94 -0.15 0.00 -0.02 0.00 0.00 41.12 41.95 1xf5 n ASP 31 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xf5 s PHE 32 N -3.26 1.42 0.30 1.24 0.08 -1.24 -5.06 117.98 111.46 1xf5 s PHE 32 Ca 0.01 -0.30 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 1xf5 s PHE 32 Cb 0.14 -0.93 -0.10 0.00 -0.57 0.00 0.00 43.02 41.56 1xf5 s PHE 32 CO 0.82 -0.06 1.31 -1.54 -0.10 0.00 0.00 175.22 175.66 1xf5 s SER 33 N -0.25 6.80 -0.26 1.36 1.04 -1.25 -4.46 113.70 116.68 1xf5 s SER 33 Ca 0.03 2.62 -0.08 0.00 0.48 0.00 0.00 55.95 59.01 1xf5 s SER 33 Cb -0.07 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 1xf5 s SER 33 CO -0.00 -0.53 0.10 -0.32 0.98 0.00 0.00 173.24 173.46 1xf5 s MET 34 N -1.34 3.72 0.43 4.02 1.75 -1.12 -1.81 119.30 124.95 1xf5 s MET 34 Ca 0.51 -0.44 0.08 0.00 -1.25 0.00 0.00 55.69 54.59 1xf5 s MET 34 Cb -0.39 -3.40 -0.02 0.00 2.84 0.00 0.00 34.83 33.86 1xf5 s MET 34 CO 0.49 -0.19 0.37 -1.01 -0.65 0.00 0.00 175.02 174.03 1xf5 s HIS 35 N 1.65 2.62 -0.01 4.11 3.76 -0.48 -1.35 115.29 125.58 1xf5 s HIS 35 Ca 0.07 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.49 1xf5 s HIS 35 Cb -0.15 -2.14 -0.01 0.00 1.11 0.00 0.00 32.58 31.39 1xf5 s HIS 35 CO 0.05 -0.13 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.11 1xf5 s TRP 36 N -2.51 1.13 -0.02 1.40 0.52 -0.74 -1.72 118.94 117.01 1xf5 s TRP 36 Ca 0.47 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.38 1xf5 s TRP 36 Cb -0.02 -0.73 0.01 0.00 -1.15 0.00 0.00 33.47 31.57 1xf5 s TRP 36 CO 0.27 -0.03 -0.03 0.08 0.02 0.00 0.00 176.95 177.26 1xf5 s VAL 37 N -0.24 0.33 0.31 4.03 1.01 0.47 -1.34 120.40 124.96 1xf5 s VAL 37 Ca 0.04 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.02 1xf5 s VAL 37 Cb -0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1xf5 s VAL 37 CO -0.00 0.13 -0.01 0.54 0.00 0.00 0.00 175.10 175.76 1xf5 s ASN 38 N 0.40 4.27 -0.23 3.32 4.22 -0.55 0.72 114.94 127.08 1xf5 s ASN 38 Ca -0.04 -0.86 -0.03 0.00 -2.14 0.00 0.00 52.86 49.79 1xf5 s ASN 38 Cb -0.07 -0.62 0.12 0.00 1.28 0.00 0.00 41.25 41.96 1xf5 s ASN 38 CO -0.01 -0.12 0.36 -1.58 -2.04 0.00 0.00 177.10 173.71 1xf5 s GLN 39 N -3.68 0.32 0.59 3.55 0.74 -0.29 -1.50 119.66 119.39 1xf5 s GLN 39 Ca 0.33 0.53 -0.15 0.00 0.05 0.00 0.00 55.36 56.12 1xf5 s GLN 39 Cb -0.03 -0.51 -0.04 0.00 1.10 0.00 0.00 33.01 33.53 1xf5 s GLN 39 CO 0.19 -0.61 1.05 0.00 -0.55 0.00 0.00 175.29 175.37 1xf5 s ALA 40 N 2.52 2.79 -0.46 1.58 0.00 -1.26 -1.21 121.76 125.72 1xf5 s ALA 40 Ca 0.11 0.32 -0.45 0.00 0.00 0.00 0.00 51.96 51.94 1xf5 s ALA 40 Cb -0.15 -3.21 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 1xf5 s ALA 40 CO -0.15 -0.76 1.76 -2.30 0.00 0.00 0.00 175.76 174.31 1xf5 n PRO 41 N -2.08 0.22 -3.42 0.00 -0.02 -1.26 -0.57 135.00 127.86 1xf5 n PRO 41 Ca 0.08 0.08 -0.25 0.00 -2.02 0.00 0.00 63.50 61.39 1xf5 n PRO 41 Cb 0.53 -1.63 0.01 0.00 -0.02 0.00 0.00 33.50 32.39 1xf5 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xf5 n GLY 42 N 4.89 -0.49 0.00 -1.23 0.00 -1.26 -4.90 105.19 102.19 1xf5 n GLY 42 Ca 0.36 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1xf5 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xf5 n LYS 43 N -3.99 0.32 0.00 1.61 4.76 0.27 -5.14 118.16 115.98 1xf5 n LYS 43 Ca -0.02 -0.75 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 1xf5 n LYS 43 Cb 0.55 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 1xf5 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xf5 n GLY 44 N -0.15 -0.25 3.77 0.72 0.00 -1.26 -4.83 105.19 103.18 1xf5 n GLY 44 Ca 0.00 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 1xf5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xf5 s LEU 45 N -1.98 4.61 -0.04 0.99 1.43 -1.26 -4.26 118.68 118.17 1xf5 s LEU 45 Ca 0.00 1.78 -0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1xf5 s LEU 45 Cb 0.00 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.78 1xf5 s LEU 45 CO 0.00 0.18 0.01 0.21 0.23 0.00 0.00 176.35 176.97 1xf5 s ASN 46 N -1.19 0.82 -0.05 2.29 3.84 -0.56 -4.99 114.94 115.11 1xf5 s ASN 46 Ca 0.39 -0.03 -0.30 0.00 0.21 0.00 0.00 52.86 53.13 1xf5 s ASN 46 Cb -0.24 -0.27 -0.04 0.00 -0.55 0.00 0.00 41.25 40.16 1xf5 s ASN 46 CO 0.29 -0.14 1.23 0.86 -2.79 0.00 0.00 177.10 176.55 1xf5 s TRP 47 N 1.41 3.14 -0.12 0.43 -0.00 -1.26 -1.48 118.94 121.05 1xf5 s TRP 47 Ca -0.04 1.15 0.21 0.00 -0.00 0.00 0.00 56.10 57.42 1xf5 s TRP 47 Cb -0.13 -3.46 -0.20 0.00 -0.00 0.00 0.00 33.47 29.67 1xf5 s TRP 47 CO -0.03 -1.50 0.67 -1.33 -0.00 0.00 0.00 176.95 174.76 1xf5 n MET 48 N 5.22 0.64 0.00 5.86 2.81 -0.45 -4.79 117.12 126.41 1xf5 n MET 48 Ca 0.11 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1xf5 n MET 48 Cb 0.46 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1xf5 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xf5 n GLY 49 N 1.28 0.79 3.28 3.03 0.00 -1.25 -1.79 105.19 110.53 1xf5 n GLY 49 Ca -0.05 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 1xf5 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1xf5 s TRP 50 N -1.05 1.06 -0.09 1.61 1.48 -0.49 -1.78 118.94 119.68 1xf5 s TRP 50 Ca 0.00 -1.29 0.01 0.00 -1.06 0.00 0.00 56.10 53.76 1xf5 s TRP 50 Cb 0.00 -0.43 0.02 0.00 -1.16 0.00 0.00 33.47 31.90 1xf5 s TRP 50 CO 0.00 -0.72 -0.08 0.54 -4.06 0.00 0.00 176.95 172.62 1xf5 s VAL 51 N -4.07 0.95 -0.01 -0.66 0.11 -0.46 -0.61 120.40 115.66 1xf5 s VAL 51 Ca 0.36 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 1xf5 s VAL 51 Cb 0.05 -0.94 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1xf5 s VAL 51 CO 0.13 0.34 1.63 0.21 -3.33 0.00 0.00 175.10 174.08 1xf5 s ASN 52 N 1.30 6.66 0.00 3.54 3.84 -0.06 -2.80 114.94 127.42 1xf5 s ASN 52 Ca -0.03 2.31 0.28 0.00 0.21 0.00 0.00 52.86 55.63 1xf5 s ASN 52 Cb -0.14 -2.55 1.43 0.00 -0.55 0.00 0.00 41.25 39.44 1xf5 s ASN 52 CO -0.03 -0.89 1.98 0.35 -2.79 0.00 0.00 177.10 175.71 1xf5 n THR 53 N 5.14 0.07 -0.07 -5.21 -2.24 -1.26 -0.29 114.28 110.42 1xf5 n THR 53 Ca 0.16 0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.89 1xf5 n THR 53 Cb 0.42 -0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 68.01 1xf5 n THR 53 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xf5 n GLU 54 N -1.29 1.59 0.02 -0.78 0.28 -1.26 -4.53 120.64 114.66 1xf5 n GLU 54 Ca 0.13 0.02 0.11 0.00 -0.16 0.00 0.00 57.16 57.26 1xf5 n GLU 54 Cb 0.23 -1.32 -0.10 0.00 1.43 0.00 0.00 31.44 31.67 1xf5 n GLU 54 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1xf5 n THR 55 N -2.58 0.13 -1.04 3.84 -2.24 -1.25 -4.97 114.28 106.17 1xf5 n THR 55 Ca -0.22 -0.40 -0.01 0.00 -2.27 0.00 0.00 64.05 61.15 1xf5 n THR 55 Cb 0.88 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 1xf5 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xf5 n GLY 56 N 1.30 0.42 3.66 3.38 0.00 0.60 -4.98 105.19 109.57 1xf5 n GLY 56 Ca -0.01 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1xf5 n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xf5 s GLU 57 N -1.04 4.29 0.36 1.61 2.12 -1.22 -4.72 118.70 120.10 1xf5 s GLU 57 Ca 0.00 1.39 -0.09 0.00 0.36 0.00 0.00 54.97 56.62 1xf5 s GLU 57 Cb 0.00 -3.63 -0.06 0.00 0.26 0.00 0.00 34.13 30.70 1xf5 s GLU 57 CO 0.00 -0.58 0.70 -1.25 -0.54 0.00 0.00 175.26 173.59 1xf5 s PRO 58 N 3.00 3.76 -0.04 4.30 0.04 -1.26 -0.88 135.00 143.92 1xf5 s PRO 58 Ca 0.45 0.36 -0.02 0.00 0.04 0.00 0.00 61.00 61.84 1xf5 s PRO 58 Cb -0.16 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 31.94 1xf5 s PRO 58 CO 0.09 0.06 0.05 0.99 0.04 0.00 0.00 177.00 178.23 1xf5 s THR 59 N -2.23 -0.04 0.01 1.26 2.01 0.22 -4.97 115.64 111.90 1xf5 s THR 59 Ca 0.49 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.88 1xf5 s THR 59 Cb -0.10 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1xf5 s THR 59 CO 0.29 0.18 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.09 1xf5 s TYR 60 N 2.03 3.04 0.34 4.92 2.02 -1.26 -1.39 117.35 127.04 1xf5 s TYR 60 Ca 0.04 0.05 -0.27 0.00 -0.37 0.00 0.00 57.07 56.52 1xf5 s TYR 60 Cb -0.12 -1.64 -0.09 0.00 -0.40 0.00 0.00 41.96 39.70 1xf5 s TYR 60 CO -0.03 0.45 1.05 0.00 -1.57 0.00 0.00 175.55 175.44 1xf5 s ALA 61 N -1.11 3.23 0.22 3.71 0.00 -0.74 -4.88 121.76 122.20 1xf5 s ALA 61 Ca 0.20 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.72 1xf5 s ALA 61 Cb -0.11 -3.28 0.23 0.00 0.00 0.00 0.00 23.12 19.96 1xf5 s ALA 61 CO 0.11 -0.12 1.53 -0.25 0.00 0.00 0.00 175.76 177.04 1xf5 n ASP 62 N 0.55 -0.66 0.25 0.00 8.00 -1.26 -0.16 116.55 123.27 1xf5 n ASP 62 Ca 0.02 1.73 0.11 0.00 0.71 0.00 0.00 54.79 57.36 1xf5 n ASP 62 Cb 0.48 -0.39 0.60 0.00 -0.02 0.00 0.00 41.12 41.79 1xf5 n ASP 62 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xf5 h ASP 63 N 0.00 0.00 -0.09 -2.24 5.19 -1.95 -0.23 116.42 117.10 1xf5 h ASP 63 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1xf5 h ASP 63 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1xf5 h ASP 63 CO -0.98 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 175.63 1xf5 n PHE 64 N -2.47 0.29 -2.79 4.55 3.01 0.78 -4.98 117.46 115.85 1xf5 n PHE 64 Ca -0.01 -0.90 -0.42 0.00 1.01 0.00 0.00 57.45 57.12 1xf5 n PHE 64 Cb 0.32 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1xf5 n PHE 64 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1xf5 s LYS 65 N -2.63 3.98 0.00 -1.08 1.02 -0.10 -3.92 119.74 117.02 1xf5 s LYS 65 Ca 0.32 0.79 0.00 0.00 0.02 0.00 0.00 55.97 57.10 1xf5 s LYS 65 Cb 0.27 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 1xf5 s LYS 65 CO 0.05 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 1xf5 n GLY 66 N 4.09 1.14 0.02 -3.33 0.00 -1.26 -4.89 105.19 100.96 1xf5 n GLY 66 Ca 0.08 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1xf5 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf5 n ARG 67 N 0.00 0.12 -3.86 1.61 1.74 -1.26 -4.86 116.66 110.15 1xf5 n ARG 67 Ca 0.00 -0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.68 1xf5 n ARG 67 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 1xf5 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xf5 s PHE 68 N -2.90 3.60 -0.06 -1.55 0.08 -1.25 -0.76 117.98 115.13 1xf5 s PHE 68 Ca 0.16 0.53 -0.02 0.00 0.12 0.00 0.00 56.93 57.72 1xf5 s PHE 68 Cb 0.19 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1xf5 s PHE 68 CO 0.57 0.72 0.12 0.00 -0.10 0.00 0.00 175.22 176.53 1xf5 s ALA 69 N -1.09 -0.21 -0.14 5.36 0.00 0.01 -4.92 121.76 120.77 1xf5 s ALA 69 Ca 0.18 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.67 1xf5 s ALA 69 Cb -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1xf5 s ALA 69 CO 0.07 -0.14 0.08 -0.06 0.00 0.00 0.00 175.76 175.71 1xf5 s PHE 70 N 1.08 3.35 0.22 0.00 2.99 -1.26 -0.74 117.98 123.62 1xf5 s PHE 70 Ca -0.08 0.27 -0.08 0.00 0.00 0.00 0.00 56.93 57.04 1xf5 s PHE 70 Cb -0.11 -1.97 -0.02 0.00 0.00 0.00 0.00 43.02 40.92 1xf5 s PHE 70 CO -0.05 0.43 0.33 -1.54 -0.00 0.00 0.00 175.22 174.39 1xf5 s SER 71 N -0.40 0.01 0.31 1.36 1.04 -0.86 -4.84 113.70 110.33 1xf5 s SER 71 Ca 0.10 -1.12 0.02 0.00 0.48 0.00 0.00 55.95 55.43 1xf5 s SER 71 Cb -0.12 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1xf5 s SER 71 CO 0.02 -1.01 0.08 0.18 0.98 0.00 0.00 173.24 173.49 1xf5 n LEU 72 N -0.33 0.00 -2.71 2.42 4.77 -1.26 -0.01 117.00 119.88 1xf5 n LEU 72 Ca -0.00 -2.28 -0.07 0.00 -0.03 0.00 0.00 56.01 53.63 1xf5 n LEU 72 Cb 0.64 0.63 0.08 0.00 -2.33 0.00 0.00 43.42 42.44 1xf5 n LEU 72 CO 0.27 -0.34 0.44 1.21 -1.33 0.00 0.00 177.39 177.63 1xf5 n GLU 73 N -0.73 0.59 -0.33 3.23 2.13 -0.92 -4.89 120.64 119.72 1xf5 n GLU 73 Ca -0.07 -1.36 0.23 0.00 0.66 0.00 0.00 57.16 56.62 1xf5 n GLU 73 Cb 0.45 -0.80 0.45 0.00 0.27 0.00 0.00 31.44 31.81 1xf5 n GLU 73 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1xf5 h THR 74 N 2.11 0.10 -0.54 6.31 2.02 -1.95 0.72 112.91 121.68 1xf5 h THR 74 Ca -0.19 -0.03 0.12 0.00 0.77 0.00 0.00 66.41 67.08 1xf5 h THR 74 Cb 1.13 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1xf5 h THR 74 CO 0.09 0.02 0.37 0.77 0.37 0.00 0.00 175.52 177.14 1xf5 h SER 75 N 0.08 0.17 -0.38 4.18 4.64 -1.96 0.49 113.55 120.78 1xf5 h SER 75 Ca 0.72 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.05 1xf5 h SER 75 Cb 1.72 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1xf5 h SER 75 CO -0.77 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 175.29 1xf5 n ALA 76 N -2.58 2.40 -3.94 5.18 0.00 0.24 -4.95 120.51 116.87 1xf5 n ALA 76 Ca 0.09 -1.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 1xf5 n ALA 76 Cb 0.47 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 19.13 1xf5 n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xf5 n SER 77 N 1.38 -3.58 -4.21 0.00 7.64 0.16 -4.73 113.62 110.28 1xf5 n SER 77 Ca 0.18 -0.85 -0.26 0.00 1.01 0.00 0.00 58.87 58.95 1xf5 n SER 77 Cb 0.57 -3.64 -0.15 0.00 -1.01 0.00 0.00 64.21 59.98 1xf5 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xf5 s THR 78 N -3.42 1.56 0.03 0.44 2.01 -1.18 -0.77 115.64 114.32 1xf5 s THR 78 Ca 0.52 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.68 1xf5 s THR 78 Cb -0.26 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1xf5 s THR 78 CO 0.85 0.42 -0.06 0.00 -0.69 0.00 0.00 174.62 175.14 1xf5 s ALA 79 N -0.49 3.07 0.16 7.40 0.00 -0.17 -2.16 121.76 129.57 1xf5 s ALA 79 Ca 0.08 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 51.06 1xf5 s ALA 79 Cb -0.08 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1xf5 s ALA 79 CO -0.01 0.63 -0.20 0.71 0.00 0.00 0.00 175.76 176.90 1xf5 s TYR 80 N -1.08 1.89 -0.12 0.00 2.02 0.99 -0.22 117.35 120.83 1xf5 s TYR 80 Ca 0.19 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1xf5 s TYR 80 Cb -0.11 -0.96 0.04 0.00 -0.40 0.00 0.00 41.96 40.54 1xf5 s TYR 80 CO 0.10 0.34 0.04 -1.17 -1.57 0.00 0.00 175.55 173.29 1xf5 s LEU 81 N -2.56 0.63 -0.10 -1.29 2.96 -0.53 -2.03 118.68 115.77 1xf5 s LEU 81 Ca 0.15 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1xf5 s LEU 81 Cb -0.07 -0.40 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 1xf5 s LEU 81 CO 0.07 -0.26 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.05 1xf5 s GLN 82 N 2.00 2.99 -0.14 1.98 0.74 0.08 -1.19 119.66 126.12 1xf5 s GLN 82 Ca 0.03 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 1xf5 s GLN 82 Cb -0.14 -2.38 -0.01 0.00 1.10 0.00 0.00 33.01 31.57 1xf5 s GLN 82 CO -0.06 0.27 -0.11 0.42 -0.55 0.00 0.00 175.29 175.26 1xf5 s ILE 83 N 0.14 3.18 0.27 -2.34 -1.09 -0.07 -0.81 121.20 120.47 1xf5 s ILE 83 Ca -0.10 -0.61 0.08 0.00 -2.23 0.00 0.00 60.65 57.79 1xf5 s ILE 83 Cb -0.16 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1xf5 s ILE 83 CO 0.06 0.51 0.10 0.20 -1.23 0.00 0.00 174.94 174.58 1xf5 s ASN 84 N 0.50 4.96 -1.05 3.58 0.01 0.06 -1.49 114.94 121.50 1xf5 s ASN 84 Ca -0.08 -0.50 -0.16 0.00 -0.71 0.00 0.00 52.86 51.41 1xf5 s ASN 84 Cb -0.15 -1.05 -0.00 0.00 0.41 0.00 0.00 41.25 40.45 1xf5 s ASN 84 CO 0.04 -0.06 0.75 -1.20 -1.51 0.00 0.00 177.10 175.12 1xf5 n SER 85 N -1.05 -5.53 -4.70 -1.22 7.64 -1.04 -4.79 113.62 102.93 1xf5 n SER 85 Ca -0.06 -0.91 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 1xf5 n SER 85 Cb 0.59 -3.28 -0.03 0.00 -1.01 0.00 0.00 64.21 60.47 1xf5 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xf5 s LEU 86 N -5.99 4.39 0.13 -3.43 1.43 -0.44 -4.64 118.68 110.12 1xf5 s LEU 86 Ca 0.35 2.75 0.03 0.00 -1.03 0.00 0.00 54.13 56.23 1xf5 s LEU 86 Cb -0.13 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1xf5 s LEU 86 CO 0.86 -0.97 0.21 -0.54 0.23 0.00 0.00 176.35 176.14 1xf5 s LYS 87 N 2.18 3.25 0.39 1.70 1.02 -1.26 -0.07 119.74 126.95 1xf5 s LYS 87 Ca 0.78 -0.64 0.10 0.00 0.02 0.00 0.00 55.97 56.22 1xf5 s LYS 87 Cb -0.46 -2.88 0.88 0.00 -0.52 0.00 0.00 37.83 34.85 1xf5 s LYS 87 CO 0.34 0.53 1.96 -0.91 -0.92 0.00 0.00 175.35 176.36 1xf5 h ASN 88 N 2.50 0.52 0.15 2.83 2.35 -1.96 0.45 115.58 122.43 1xf5 h ASN 88 Ca -0.47 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1xf5 h ASN 88 Cb 1.19 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1xf5 h ASN 88 CO 0.68 0.33 0.00 -0.62 -1.65 0.00 0.00 177.43 176.17 1xf5 n GLU 89 N -4.48 0.43 0.05 0.81 4.71 -1.26 -2.21 120.64 118.70 1xf5 n GLU 89 Ca 0.10 0.05 0.13 0.00 -0.01 0.00 0.00 57.16 57.44 1xf5 n GLU 89 Cb 0.30 -1.50 0.38 0.00 -1.01 0.00 0.00 31.44 29.62 1xf5 n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xf5 n ASP 90 N -1.13 0.54 -4.66 1.62 8.00 0.15 -4.84 116.55 116.24 1xf5 n ASP 90 Ca 0.11 0.34 -0.51 0.00 0.71 0.00 0.00 54.79 55.45 1xf5 n ASP 90 Cb 0.10 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 1xf5 n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xf5 n THR 91 N -1.94 0.19 0.00 -3.53 -1.04 -0.94 -4.82 114.28 102.20 1xf5 n THR 91 Ca 0.05 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1xf5 n THR 91 Cb 0.40 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1xf5 n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xf5 n ALA 92 N 4.21 0.00 -2.84 2.41 0.00 -0.94 -4.55 120.51 118.81 1xf5 n ALA 92 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 1xf5 n ALA 92 Cb 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.54 1xf5 n ALA 92 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xf5 s THR 93 N -2.00 3.33 -0.15 0.00 -4.23 -0.35 -0.36 115.64 111.88 1xf5 s THR 93 Ca 0.00 -0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.89 1xf5 s THR 93 Cb 0.00 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 1xf5 s THR 93 CO 0.00 0.55 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.29 1xf5 s TYR 94 N -0.08 3.06 0.11 3.99 2.02 0.40 -1.13 117.35 125.71 1xf5 s TYR 94 Ca -0.01 -0.19 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 1xf5 s TYR 94 Cb -0.14 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1xf5 s TYR 94 CO 0.03 0.06 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.93 1xf5 s PHE 95 N 0.18 2.78 -0.04 2.71 0.40 0.22 0.49 117.98 124.72 1xf5 s PHE 95 Ca -0.01 -0.13 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 1xf5 s PHE 95 Cb -0.13 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.93 1xf5 s PHE 95 CO 0.02 0.44 -0.20 0.00 0.70 0.00 0.00 175.22 176.18 1xf5 s ALA 97 N -0.55 0.43 -0.05 0.00 0.00 -0.70 -1.34 121.76 119.55 1xf5 s ALA 97 Ca 0.08 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 1xf5 s ALA 97 Cb -0.11 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1xf5 s ALA 97 CO 0.01 -0.07 0.50 0.50 0.00 0.00 0.00 175.76 176.69 1xf5 s ARG 98 N -1.62 4.23 -0.06 0.00 3.52 -0.23 -1.38 118.95 123.42 1xf5 s ARG 98 Ca -0.11 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.03 1xf5 s ARG 98 Cb -0.09 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1xf5 s ARG 98 CO -0.00 0.36 -0.06 0.12 -0.81 0.00 0.00 175.30 174.91 1xf5 s PHE 99 N -0.06 2.96 0.38 5.12 2.19 -0.75 -0.75 117.98 127.07 1xf5 s PHE 99 Ca 0.27 0.04 0.08 0.00 0.33 0.00 0.00 56.93 57.64 1xf5 s PHE 99 Cb -0.16 -1.70 -0.02 0.00 -1.31 0.00 0.00 43.02 39.82 1xf5 s PHE 99 CO 0.13 0.36 0.35 -0.51 1.83 0.00 0.00 175.22 177.38 1xf5 s LEU 100 N -0.93 3.52 0.59 6.12 1.43 -0.77 -3.90 118.68 124.74 1xf5 s LEU 100 Ca 0.13 -0.60 0.36 0.00 -1.03 0.00 0.00 54.13 53.00 1xf5 s LEU 100 Cb -0.11 -2.17 1.79 0.00 0.03 0.00 0.00 46.19 45.73 1xf5 s LEU 100 CO 0.03 -0.51 2.15 -0.07 0.23 0.00 0.00 176.35 178.18 1xf5 h LEU 101 N 1.12 0.00 -0.19 1.79 -0.00 -1.97 -0.30 115.31 115.76 1xf5 h LEU 101 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1xf5 h LEU 101 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1xf5 h LEU 101 CO 0.57 0.03 0.00 0.54 -0.00 0.00 0.00 178.44 179.58 1xf5 n ARG 102 N -3.21 1.12 -3.21 1.13 1.74 -1.26 -4.92 116.66 108.05 1xf5 n ARG 102 Ca -0.01 -0.18 -0.16 0.00 -0.77 0.00 0.00 57.85 56.72 1xf5 n ARG 102 Cb 0.20 -1.12 0.05 0.00 -1.02 0.00 0.00 32.46 30.57 1xf5 n ARG 102 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xf5 n GLN 103 N -0.43 -5.29 -4.06 5.56 1.13 -0.12 -5.05 117.38 109.12 1xf5 n GLN 103 Ca 0.06 0.57 -0.10 0.00 -1.94 0.00 0.00 57.00 55.59 1xf5 n GLN 103 Cb 0.06 -4.82 -0.08 0.00 0.11 0.00 0.00 30.24 25.51 1xf5 n GLN 103 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1xf5 s TYR 104 N -3.20 0.65 -0.37 1.08 -0.85 -1.26 -4.96 117.35 108.44 1xf5 s TYR 104 Ca 0.39 -0.99 -0.20 0.00 -0.52 0.00 0.00 57.07 55.75 1xf5 s TYR 104 Cb -0.17 -0.22 0.01 0.00 0.38 0.00 0.00 41.96 41.95 1xf5 s TYR 104 CO 0.48 -0.69 0.62 -0.06 -1.52 0.00 0.00 175.55 174.38 1xf5 s PHE 105 N -4.03 3.14 -0.01 -3.49 0.08 -1.26 -1.84 117.98 110.57 1xf5 s PHE 105 Ca 0.23 0.25 -0.24 0.00 0.12 0.00 0.00 56.93 57.29 1xf5 s PHE 105 Cb 0.05 -3.15 -0.16 0.00 -0.57 0.00 0.00 43.02 39.18 1xf5 s PHE 105 CO 0.04 -0.66 1.14 0.22 -0.10 0.00 0.00 175.22 175.85 1xf5 h ASP 106 N 8.54 -0.32 -4.86 1.36 3.58 -1.30 -3.47 116.42 119.95 1xf5 h ASP 106 Ca -0.26 -0.21 -0.21 0.00 0.42 0.00 0.00 57.03 56.76 1xf5 h ASP 106 Cb 1.11 0.08 -0.19 0.00 1.72 0.00 0.00 39.33 42.05 1xf5 h ASP 106 CO 0.84 0.09 -0.71 0.54 -2.88 0.00 0.00 179.24 177.12 1xf5 s VAL 107 N -4.35 0.41 0.14 2.25 0.11 -1.25 -4.99 120.40 112.72 1xf5 s VAL 107 Ca -0.14 -1.30 0.05 0.00 -2.93 0.00 0.00 61.98 57.66 1xf5 s VAL 107 Cb 0.02 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1xf5 s VAL 107 CO 0.52 -0.60 -0.12 0.26 -3.33 0.00 0.00 175.10 171.84 1xf5 s TRP 108 N -2.20 1.32 0.66 1.54 0.52 -1.26 -1.06 118.94 118.45 1xf5 s TRP 108 Ca -0.05 -0.66 -0.06 0.00 0.02 0.00 0.00 56.10 55.36 1xf5 s TRP 108 Cb -0.04 -0.68 0.04 0.00 -1.15 0.00 0.00 33.47 31.64 1xf5 s TRP 108 CO -0.02 0.12 0.96 0.20 0.02 0.00 0.00 176.95 178.22 1xf5 s GLY 109 N -2.83 1.68 0.00 0.98 0.00 -0.45 -4.53 107.32 102.17 1xf5 s GLY 109 Ca 0.13 -0.91 0.15 0.00 0.00 0.00 0.00 44.72 44.08 1xf5 s GLY 109 CO 0.02 -0.55 1.44 0.00 0.00 0.00 0.00 173.10 174.01 1xf5 n ALA 110 N -2.77 1.77 0.00 3.20 0.00 -1.26 -4.75 120.51 116.69 1xf5 n ALA 110 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xf5 n ALA 110 Cb 0.60 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1xf5 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf5 n GLY 111 N -0.00 -1.21 3.23 0.00 0.00 -1.26 -5.00 105.19 100.95 1xf5 n GLY 111 Ca 0.06 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1xf5 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf5 s THR 112 N -3.01 2.30 -0.14 2.61 2.01 0.18 -4.88 115.64 114.71 1xf5 s THR 112 Ca 0.00 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.03 1xf5 s THR 112 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1xf5 s THR 112 CO 0.00 0.54 0.07 0.42 -0.69 0.00 0.00 174.62 174.96 1xf5 s THR 113 N 0.59 4.87 -0.10 -0.82 -4.23 -1.26 0.15 115.64 114.84 1xf5 s THR 113 Ca -0.11 -0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 1xf5 s THR 113 Cb -0.16 -3.14 0.01 0.00 1.34 0.00 0.00 72.50 70.54 1xf5 s THR 113 CO 0.03 0.53 -0.20 0.68 -0.54 0.00 0.00 174.62 175.13 1xf5 s VAL 114 N -0.28 1.79 -0.21 2.29 -7.23 0.51 -1.93 120.40 115.35 1xf5 s VAL 114 Ca 0.09 -0.85 -0.06 0.00 -1.81 0.00 0.00 61.98 59.35 1xf5 s VAL 114 Cb -0.12 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1xf5 s VAL 114 CO 0.01 0.50 0.02 -0.89 -0.31 0.00 0.00 175.10 174.43 1xf5 s THR 115 N 0.53 4.07 -0.34 5.32 2.01 0.49 -2.20 115.64 125.53 1xf5 s THR 115 Ca -0.15 -0.27 -0.13 0.00 0.31 0.00 0.00 61.69 61.44 1xf5 s THR 115 Cb -0.17 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 1xf5 s THR 115 CO 0.05 0.42 0.27 -0.69 -0.69 0.00 0.00 174.62 173.98 1xf5 s VAL 116 N 1.06 5.26 0.01 3.82 1.01 -1.26 -0.27 120.40 130.03 1xf5 s VAL 116 Ca 0.03 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 1xf5 s VAL 116 Cb -0.14 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.60 1xf5 s VAL 116 CO 0.02 -0.01 0.88 -0.55 0.00 0.00 0.00 175.10 175.44 1xf5 s SER 117 N 1.73 -0.36 0.00 3.32 0.15 0.12 -4.75 113.70 113.90 1xf5 s SER 117 Ca 0.08 -0.02 0.20 0.00 0.70 0.00 0.00 55.95 56.91 1xf5 s SER 117 Cb -0.17 0.40 -0.07 0.00 -1.71 0.00 0.00 66.02 64.47 1xf5 s SER 117 CO 0.11 -0.65 0.97 -1.54 1.20 0.00 0.00 173.24 173.33 1xf5 n SER 118 N -0.26 1.64 -4.76 5.45 3.41 -1.26 -3.64 113.62 114.20 1xf5 n SER 118 Ca -0.09 -1.32 -0.38 0.00 -0.26 0.00 0.00 58.87 56.82 1xf5 n SER 118 Cb 0.62 0.63 0.02 0.00 -0.26 0.00 0.00 64.21 65.21 1xf5 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xf5 s ALA 119 N -2.47 2.98 0.41 7.33 0.00 -1.26 -4.97 121.76 123.78 1xf5 s ALA 119 Ca 0.14 1.25 -0.24 0.00 0.00 0.00 0.00 51.96 53.12 1xf5 s ALA 119 Cb 0.16 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1xf5 s ALA 119 CO 0.61 -1.10 1.05 -1.59 0.00 0.00 0.00 175.76 174.72 1xf5 s LYS 120 N -2.69 4.14 0.11 0.00 -2.85 -1.26 -4.99 119.74 112.20 1xf5 s LYS 120 Ca 0.66 1.49 -0.30 0.00 -1.00 0.00 0.00 55.97 56.82 1xf5 s LYS 120 Cb -0.38 -2.50 -0.07 0.00 -2.06 0.00 0.00 37.83 32.82 1xf5 s LYS 120 CO 0.46 -0.16 1.22 0.99 0.10 0.00 0.00 175.35 177.97 1xf5 s THR 121 N -1.69 3.78 -0.07 3.79 2.01 -1.26 -4.74 115.64 117.47 1xf5 s THR 121 Ca 0.58 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 63.90 1xf5 s THR 121 Cb -0.21 -3.86 0.04 0.00 0.01 0.00 0.00 72.50 68.47 1xf5 s THR 121 CO 0.27 0.14 0.14 0.28 -0.69 0.00 0.00 174.62 174.76 1xf5 s THR 122 N 0.68 -0.09 0.52 -0.82 -1.32 0.08 -4.94 115.64 109.76 1xf5 s THR 122 Ca 0.57 0.21 -0.22 0.00 -1.21 0.00 0.00 61.69 61.05 1xf5 s THR 122 Cb -0.31 -0.24 -0.05 0.00 -1.51 0.00 0.00 72.50 70.38 1xf5 s THR 122 CO 0.32 0.09 1.29 -2.16 -2.21 0.00 0.00 174.62 171.94 1xf5 s PRO 123 N 1.36 3.31 0.49 7.08 0.04 -1.26 -0.49 135.00 145.53 1xf5 s PRO 123 Ca -0.07 2.07 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 1xf5 s PRO 123 Cb -0.12 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1xf5 s PRO 123 CO -0.06 -1.00 0.99 -1.25 0.04 0.00 0.00 177.00 175.72 1xf5 s PRO 124 N -2.87 3.95 -0.15 0.56 0.04 -1.26 -4.42 135.00 130.84 1xf5 s PRO 124 Ca 0.70 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 1xf5 s PRO 124 Cb -0.36 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1xf5 s PRO 124 CO 0.43 -0.28 0.11 -1.12 0.04 0.00 0.00 177.00 176.18 1xf5 s SER 125 N -2.48 6.12 -0.22 6.66 0.01 0.36 -4.90 113.70 119.24 1xf5 s SER 125 Ca 0.62 0.32 0.01 0.00 1.31 0.00 0.00 55.95 58.21 1xf5 s SER 125 Cb -0.12 -2.00 0.03 0.00 0.21 0.00 0.00 66.02 64.15 1xf5 s SER 125 CO 0.23 0.31 -0.14 -0.69 0.41 0.00 0.00 173.24 173.36 1xf5 s VAL 126 N -0.44 2.27 -0.09 3.43 1.01 -1.26 -0.14 120.40 125.19 1xf5 s VAL 126 Ca 0.11 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1xf5 s VAL 126 Cb -0.12 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1xf5 s VAL 126 CO 0.02 0.30 -0.08 -0.31 0.00 0.00 0.00 175.10 175.03 1xf5 s TYR 127 N 1.24 2.92 -0.04 5.22 2.02 0.18 -4.95 117.35 123.94 1xf5 s TYR 127 Ca -0.00 -0.11 -0.30 0.00 -0.37 0.00 0.00 57.07 56.29 1xf5 s TYR 127 Cb -0.16 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 1xf5 s TYR 127 CO -0.09 0.21 1.17 -1.25 -1.57 0.00 0.00 175.55 174.02 1xf5 s PRO 128 N -0.50 4.38 -0.83 -1.71 0.04 -1.26 -0.63 135.00 134.49 1xf5 s PRO 128 Ca 0.07 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1xf5 s PRO 128 Cb -0.12 -3.52 0.21 0.00 0.04 0.00 0.00 34.50 31.11 1xf5 s PRO 128 CO 0.02 -0.39 0.73 -0.51 0.04 0.00 0.00 177.00 176.90 1xf5 s LEU 129 N 1.96 6.07 0.11 -3.56 1.43 -0.12 -4.93 118.68 119.64 1xf5 s LEU 129 Ca 0.55 -3.06 -0.04 0.00 -1.03 0.00 0.00 54.13 50.55 1xf5 s LEU 129 Cb -0.25 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1xf5 s LEU 129 CO 0.23 -0.40 0.33 0.00 0.23 0.00 0.00 176.35 176.74 1xf5 s ALA 130 N -0.39 3.84 0.32 4.21 0.00 -1.26 -1.13 121.76 127.35 1xf5 s ALA 130 Ca 0.21 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1xf5 s ALA 130 Cb -0.12 -2.07 -0.12 0.00 0.00 0.00 0.00 23.12 20.81 1xf5 s ALA 130 CO -0.08 0.70 1.31 -0.35 0.00 0.00 0.00 175.76 177.34 1xf5 n PRO 131 N 0.24 2.11 -2.13 0.00 -0.04 -1.26 -4.91 135.00 129.01 1xf5 n PRO 131 Ca -0.04 0.74 -0.39 0.00 -0.04 0.00 0.00 63.50 63.78 1xf5 n PRO 131 Cb 0.52 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 1xf5 n PRO 131 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xf5 s GLY 132 N -0.20 2.88 -0.92 0.55 0.00 -1.26 -4.47 107.32 103.90 1xf5 s GLY 132 Ca 0.58 1.12 -0.17 0.00 0.00 0.00 0.00 44.72 46.24 1xf5 s GLY 132 CO 0.60 1.65 2.30 -1.26 0.00 0.00 0.00 173.10 176.39 1xf5 n SER 133 N -0.11 -0.20 0.00 1.64 2.88 -1.26 -4.54 113.62 112.04 1xf5 n SER 133 Ca 0.05 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 1xf5 n SER 133 Cb 0.45 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1xf5 n SER 133 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xf5 n ALA 134 N 10.18 0.00 -0.32 -1.46 0.00 -1.26 -5.12 120.51 122.52 1xf5 n ALA 134 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1xf5 n ALA 134 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1xf5 n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xf5 n ALA 135 N -3.00 -0.62 -2.85 0.00 0.00 -1.26 -4.87 120.51 107.91 1xf5 n ALA 135 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1xf5 n ALA 135 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1xf5 n ALA 135 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xf5 s GLN 136 N 0.00 3.23 0.12 0.00 -1.52 -1.26 -4.64 119.66 115.59 1xf5 s GLN 136 Ca 0.00 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 1xf5 s GLN 136 Cb 0.00 -2.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.84 1xf5 s GLN 136 CO 0.00 0.64 0.00 -2.37 -0.25 0.00 0.00 175.29 173.31 1xf5 n THR 137 N 0.83-12.62 -4.40 -0.19 5.66 -1.26 -5.13 114.28 97.17 1xf5 n THR 137 Ca -0.10 3.06 -0.28 0.00 -3.05 0.00 0.00 64.05 63.68 1xf5 n THR 137 Cb 0.52 -5.52 -0.12 0.00 -1.55 0.00 0.00 70.33 63.66 1xf5 n THR 137 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1xf5 s ASN 138 N -0.50 3.31 -0.01 1.09 -0.87 -1.26 -5.06 114.94 111.64 1xf5 s ASN 138 Ca 0.00 -0.80 -0.22 0.00 -1.57 0.00 0.00 52.86 50.27 1xf5 s ASN 138 Cb 0.00 -0.23 -0.19 0.00 -0.02 0.00 0.00 41.25 40.81 1xf5 s ASN 138 CO 0.00 0.15 1.19 -1.28 -2.57 0.00 0.00 177.10 174.59 1xf5 h SER 139 N 3.61 0.29 -2.92 -1.22 0.87 -2.00 -3.45 113.55 108.73 1xf5 h SER 139 Ca -0.49 -0.62 -0.63 0.00 -1.23 0.00 0.00 61.79 58.83 1xf5 h SER 139 Cb 1.19 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 63.01 1xf5 h SER 139 CO 0.43 0.85 -0.51 -0.04 -0.53 0.00 0.00 176.83 177.03 1xf5 s MET 140 N -3.76 3.38 -0.06 2.24 -1.94 -1.26 -2.37 119.30 115.53 1xf5 s MET 140 Ca -0.15 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.42 1xf5 s MET 140 Cb 0.03 -3.02 0.01 0.00 2.01 0.00 0.00 34.83 33.86 1xf5 s MET 140 CO 0.74 0.62 -0.14 0.54 -0.01 0.00 0.00 175.02 176.77 1xf5 s VAL 141 N -1.46 1.27 -0.26 -6.03 0.11 0.41 -4.78 120.40 109.66 1xf5 s VAL 141 Ca 0.33 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.71 1xf5 s VAL 141 Cb -0.13 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1xf5 s VAL 141 CO 0.26 0.38 0.15 -0.89 -3.33 0.00 0.00 175.10 171.66 1xf5 s THR 142 N 0.52 5.01 0.46 5.04 2.01 -1.26 -0.96 115.64 126.46 1xf5 s THR 142 Ca -0.13 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.01 1xf5 s THR 142 Cb -0.15 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1xf5 s THR 142 CO 0.04 0.30 0.43 -0.76 -0.69 0.00 0.00 174.62 173.94 1xf5 s LEU 143 N 1.55 3.25 0.32 4.42 1.43 0.75 -4.55 118.68 125.83 1xf5 s LEU 143 Ca 0.07 -0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 1xf5 s LEU 143 Cb -0.15 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.22 1xf5 s LEU 143 CO 0.07 -0.81 0.69 -0.83 0.23 0.00 0.00 176.35 175.71 1xf5 s GLY 144 N -4.22 0.28 -0.06 -3.19 0.00 -0.28 -1.82 107.32 98.03 1xf5 s GLY 144 Ca 0.47 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 1xf5 s GLY 144 CO 0.28 -0.31 0.14 0.00 0.00 0.00 0.00 173.10 173.21 1xf5 s LEU 146 N 0.82 3.08 -0.43 0.00 2.96 0.20 -1.58 118.68 123.74 1xf5 s LEU 146 Ca -0.06 -0.83 -0.09 0.00 -0.22 0.00 0.00 54.13 52.93 1xf5 s LEU 146 Cb -0.08 -1.65 0.09 0.00 0.50 0.00 0.00 46.19 45.05 1xf5 s LEU 146 CO -0.04 -0.11 0.27 -0.69 -1.32 0.00 0.00 176.35 174.46 1xf5 s VAL 147 N 1.33 4.13 0.15 1.68 1.01 -0.65 0.49 120.40 128.54 1xf5 s VAL 147 Ca 0.01 -1.52 0.08 0.00 0.00 0.00 0.00 61.98 60.54 1xf5 s VAL 147 Cb -0.16 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1xf5 s VAL 147 CO -0.05 -0.57 -0.17 -0.75 0.00 0.00 0.00 175.10 173.56 1xf5 s LYS 148 N 1.39 1.20 -0.95 2.72 2.20 0.80 -0.61 119.74 126.49 1xf5 s LYS 148 Ca 0.04 -1.35 -0.01 0.00 -0.36 0.00 0.00 55.97 54.29 1xf5 s LYS 148 Cb -0.24 -1.21 -0.01 0.00 -1.51 0.00 0.00 37.83 34.87 1xf5 s LYS 148 CO 0.01 0.24 0.80 0.41 -0.36 0.00 0.00 175.35 176.45 1xf5 n GLY 149 N 0.38 -0.27 3.44 5.54 0.00 0.96 -0.49 105.19 114.75 1xf5 n GLY 149 Ca -0.14 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1xf5 n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xf5 s TYR 150 N -3.29 2.00 -0.28 1.61 1.13 -1.07 -4.39 117.35 113.07 1xf5 s TYR 150 Ca 0.05 -0.65 -0.24 0.00 -1.41 0.00 0.00 57.07 54.81 1xf5 s TYR 150 Cb -0.01 -1.12 0.11 0.00 -1.10 0.00 0.00 41.96 39.84 1xf5 s TYR 150 CO 0.59 0.34 0.93 0.12 -2.51 0.00 0.00 175.55 175.02 1xf5 s PHE 151 N -2.94 -0.59 0.00 -3.49 2.19 0.35 -0.26 117.98 113.24 1xf5 s PHE 151 Ca 0.29 1.40 0.00 0.00 0.33 0.00 0.00 56.93 58.96 1xf5 s PHE 151 Cb 0.03 0.35 0.00 0.00 -1.31 0.00 0.00 43.02 42.09 1xf5 s PHE 151 CO 0.12 -0.28 0.00 -0.35 1.83 0.00 0.00 175.22 176.54 1xf5 n PRO 152 N 2.53 0.92 -1.72 10.12 -0.04 -1.26 -0.74 135.00 144.81 1xf5 n PRO 152 Ca -0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 1xf5 n PRO 152 Cb 0.56 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.05 1xf5 n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xf5 s GLU 153 N -2.02 3.11 0.17 0.54 0.41 -1.26 -4.77 118.70 114.88 1xf5 s GLU 153 Ca 0.00 0.98 0.01 0.00 -0.41 0.00 0.00 54.97 55.56 1xf5 s GLU 153 Cb 0.00 -2.01 0.01 0.00 -1.78 0.00 0.00 34.13 30.35 1xf5 s GLU 153 CO 0.00 -0.97 0.12 -0.35 -0.49 0.00 0.00 175.26 173.58 1xf5 n PRO 154 N -2.83 1.26 -4.07 0.39 -0.04 -1.26 -4.92 135.00 123.52 1xf5 n PRO 154 Ca 0.08 -1.07 -0.14 0.00 -0.04 0.00 0.00 63.50 62.33 1xf5 n PRO 154 Cb 0.53 0.12 -0.13 0.00 -0.04 0.00 0.00 33.50 33.99 1xf5 n PRO 154 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xf5 s VAL 155 N -0.87 0.39 -0.13 0.52 -7.23 -1.26 -4.32 120.40 107.50 1xf5 s VAL 155 Ca 0.09 -0.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1xf5 s VAL 155 Cb -0.01 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.52 1xf5 s VAL 155 CO 0.06 -0.15 -0.16 0.42 -0.31 0.00 0.00 175.10 174.96 1xf5 s THR 156 N -0.73 2.75 -0.10 5.32 -4.23 -0.66 -4.93 115.64 113.06 1xf5 s THR 156 Ca -0.05 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1xf5 s THR 156 Cb -0.06 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 1xf5 s THR 156 CO -0.00 0.53 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.81 1xf5 s VAL 157 N 0.43 3.32 0.13 2.29 1.01 -1.26 -1.30 120.40 125.02 1xf5 s VAL 157 Ca -0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1xf5 s VAL 157 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1xf5 s VAL 157 CO 0.06 0.55 0.06 0.42 0.00 0.00 0.00 175.10 176.19 1xf5 s THR 158 N -0.17 0.10 -0.06 3.92 -4.23 0.37 -4.98 115.64 110.58 1xf5 s THR 158 Ca 0.01 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 58.66 1xf5 s THR 158 Cb -0.13 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 1xf5 s THR 158 CO 0.03 -0.45 -0.24 0.26 -0.54 0.00 0.00 174.62 173.69 1xf5 s TRP 159 N -4.05 2.34 -1.14 3.99 0.52 -1.26 0.05 118.94 119.39 1xf5 s TRP 159 Ca 0.25 -0.75 -0.25 0.00 0.02 0.00 0.00 56.10 55.37 1xf5 s TRP 159 Cb 0.07 -1.55 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 1xf5 s TRP 159 CO 0.02 -0.25 0.74 0.09 0.02 0.00 0.00 176.95 177.58 1xf5 n ASN 160 N 3.09 -4.92 0.00 2.95 3.02 0.91 -0.42 115.26 119.89 1xf5 n ASN 160 Ca -0.18 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 1xf5 n ASN 160 Cb 0.52 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 37.02 1xf5 n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xf5 n SER 161 N -2.45 -2.64 0.00 6.41 7.64 -1.26 -0.21 113.62 121.11 1xf5 n SER 161 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1xf5 n SER 161 Cb 0.58 -1.85 0.00 0.00 -1.01 0.00 0.00 64.21 61.93 1xf5 n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xf5 n GLY 162 N 0.42 1.84 0.29 0.23 0.00 0.44 -4.97 105.19 103.44 1xf5 n GLY 162 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1xf5 n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xf5 h SER 163 N 0.00 0.00 -3.36 1.61 4.64 -0.52 -3.28 113.55 112.64 1xf5 h SER 163 Ca 0.00 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.57 1xf5 h SER 163 Cb 0.00 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.77 1xf5 h SER 163 CO 0.00 0.05 0.16 -0.11 -0.87 0.00 0.00 176.83 176.06 1xf5 n LEU 164 N -3.30 4.84 -0.03 5.97 0.00 -1.05 -4.85 117.00 118.58 1xf5 n LEU 164 Ca -0.01 -5.11 -0.11 0.00 0.00 0.00 0.00 56.01 50.78 1xf5 n LEU 164 Cb 0.22 -1.25 -0.14 0.00 0.00 0.00 0.00 43.42 42.25 1xf5 n LEU 164 CO 0.26 1.50 -0.68 -1.54 0.00 0.00 0.00 177.39 176.93 1xf5 n SER 165 N 2.36 0.94 -4.85 1.96 3.41 -1.24 -4.35 113.62 111.85 1xf5 n SER 165 Ca 0.23 0.31 -0.32 0.00 -0.26 0.00 0.00 58.87 58.83 1xf5 n SER 165 Cb 0.38 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 1xf5 n SER 165 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xf5 s SER 166 N -6.14 6.67 0.00 4.04 1.04 -1.26 -3.85 113.70 114.20 1xf5 s SER 166 Ca -0.09 1.32 0.00 0.00 0.48 0.00 0.00 55.95 57.67 1xf5 s SER 166 Cb 0.08 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1xf5 s SER 166 CO 0.81 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.28 1xf5 n GLY 167 N -0.95 0.71 3.81 7.32 0.00 -1.26 -4.75 105.19 110.08 1xf5 n GLY 167 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1xf5 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf5 s VAL 168 N -2.91 4.81 -0.29 1.61 1.01 -1.25 -2.36 120.40 121.02 1xf5 s VAL 168 Ca 0.00 1.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.10 1xf5 s VAL 168 Cb 0.00 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.62 1xf5 s VAL 168 CO 0.00 0.55 0.10 -1.00 0.00 0.00 0.00 175.10 174.75 1xf5 s HIS 169 N -1.03 1.19 -0.28 5.22 3.76 0.13 -4.97 115.29 119.30 1xf5 s HIS 169 Ca 0.28 -1.37 -0.09 0.00 -0.15 0.00 0.00 55.06 53.74 1xf5 s HIS 169 Cb -0.19 -1.38 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 1xf5 s HIS 169 CO 0.18 -0.83 0.12 0.99 -0.85 0.00 0.00 174.74 174.35 1xf5 s THR 170 N 1.80 4.54 0.22 1.30 2.01 -1.26 0.24 115.64 124.50 1xf5 s THR 170 Ca 0.08 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 1xf5 s THR 170 Cb -0.17 -3.23 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 1xf5 s THR 170 CO -0.27 0.18 0.62 -0.36 -0.69 0.00 0.00 174.62 174.11 1xf5 s PHE 171 N 1.62 3.51 0.44 4.92 0.40 0.10 -4.99 117.98 123.99 1xf5 s PHE 171 Ca 0.05 1.10 -0.24 0.00 -0.60 0.00 0.00 56.93 57.24 1xf5 s PHE 171 Cb -0.16 -2.42 -0.09 0.00 0.51 0.00 0.00 43.02 40.85 1xf5 s PHE 171 CO 0.06 0.29 1.16 -2.30 0.70 0.00 0.00 175.22 175.12 1xf5 n PRO 172 N 0.26 1.62 -2.39 0.24 -0.02 -1.26 -4.10 135.00 129.35 1xf5 n PRO 172 Ca -0.01 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 1xf5 n PRO 172 Cb 0.52 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 1xf5 n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xf5 s ALA 173 N -1.25 2.82 -0.10 3.55 0.00 -1.26 -4.74 121.76 120.77 1xf5 s ALA 173 Ca 0.64 0.59 0.04 0.00 0.00 0.00 0.00 51.96 53.22 1xf5 s ALA 173 Cb -0.52 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.34 1xf5 s ALA 173 CO 0.56 -0.49 -0.24 0.08 0.00 0.00 0.00 175.76 175.67 1xf5 s VAL 174 N -2.06 2.09 -0.15 0.00 1.01 -0.31 -4.94 120.40 116.05 1xf5 s VAL 174 Ca 0.67 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 1xf5 s VAL 174 Cb -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1xf5 s VAL 174 CO 0.25 0.56 0.55 -0.22 0.00 0.00 0.00 175.10 176.24 1xf5 s LEU 175 N 0.32 4.22 -0.22 3.92 2.96 -1.26 -2.07 118.68 126.55 1xf5 s LEU 175 Ca -0.18 0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 54.53 1xf5 s LEU 175 Cb -0.18 -2.79 0.11 0.00 0.50 0.00 0.00 46.19 43.84 1xf5 s LEU 175 CO 0.09 -0.11 0.34 -1.58 -1.32 0.00 0.00 176.35 173.76 1xf5 s GLN 176 N 1.15 0.29 -0.85 1.98 0.74 -0.30 -4.94 119.66 117.74 1xf5 s GLN 176 Ca 0.28 0.53 -0.00 0.00 0.05 0.00 0.00 55.36 56.22 1xf5 s GLN 176 Cb -0.16 -0.52 -0.00 0.00 1.10 0.00 0.00 33.01 33.43 1xf5 s GLN 176 CO 0.11 -0.58 0.71 0.43 -0.55 0.00 0.00 175.29 175.42 1xf5 n SER 177 N 5.36 -2.11 0.00 6.67 7.64 -1.26 -2.48 113.62 127.44 1xf5 n SER 177 Ca -0.05 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1xf5 n SER 177 Cb 0.50 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 1xf5 n SER 177 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xf5 n ASP 178 N -2.52 -3.55 -4.18 6.43 10.43 -1.26 -4.93 116.55 116.96 1xf5 n ASP 178 Ca -0.20 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 56.89 1xf5 n ASP 178 Cb 0.62 -2.99 -0.16 0.00 1.84 0.00 0.00 41.12 40.43 1xf5 n ASP 178 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1xf5 s LEU 179 N 0.00 1.99 0.25 0.64 1.43 -1.03 -4.73 118.68 117.22 1xf5 s LEU 179 Ca 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1xf5 s LEU 179 Cb 0.00 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 1xf5 s LEU 179 CO 0.00 0.21 0.43 -0.31 0.23 0.00 0.00 176.35 176.91 1xf5 s TYR 180 N -0.21 3.48 -0.04 0.29 2.02 0.64 -1.14 117.35 122.38 1xf5 s TYR 180 Ca 0.01 0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 57.00 1xf5 s TYR 180 Cb -0.10 -1.83 0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1xf5 s TYR 180 CO 0.01 0.32 0.07 0.99 -1.57 0.00 0.00 175.55 175.37 1xf5 s THR 181 N -2.01 -0.08 0.15 -0.71 2.01 -0.88 -0.03 115.64 114.09 1xf5 s THR 181 Ca 0.38 0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.69 1xf5 s THR 181 Cb -0.10 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1xf5 s THR 181 CO 0.31 0.11 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.02 1xf5 s LEU 182 N 1.38 2.53 0.03 4.42 0.20 0.22 -1.16 118.68 126.29 1xf5 s LEU 182 Ca -0.06 -1.00 -0.01 0.00 0.69 0.00 0.00 54.13 53.75 1xf5 s LEU 182 Cb -0.12 -0.38 -0.02 0.00 -0.43 0.00 0.00 46.19 45.23 1xf5 s LEU 182 CO -0.04 -0.31 -0.00 -0.55 -0.29 0.00 0.00 176.35 175.16 1xf5 s SER 183 N -3.14 0.29 -0.11 3.68 0.15 -1.26 -1.64 113.70 111.68 1xf5 s SER 183 Ca 0.17 -0.64 -0.08 0.00 0.70 0.00 0.00 55.95 56.09 1xf5 s SER 183 Cb 0.02 0.15 0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1xf5 s SER 183 CO 0.01 -0.42 0.28 -0.55 1.20 0.00 0.00 173.24 173.76 1xf5 s SER 184 N -1.98 -0.30 0.09 5.45 0.15 -0.61 0.01 113.70 116.50 1xf5 s SER 184 Ca -0.08 0.58 0.08 0.00 0.70 0.00 0.00 55.95 57.23 1xf5 s SER 184 Cb -0.03 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 1xf5 s SER 184 CO -0.04 -0.12 -0.19 -0.94 1.20 0.00 0.00 173.24 173.14 1xf5 s SER 185 N 0.57 2.35 -0.03 5.45 1.04 0.14 -0.01 113.70 123.21 1xf5 s SER 185 Ca -0.03 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1xf5 s SER 185 Cb -0.05 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.96 1xf5 s SER 185 CO -0.03 0.04 -0.06 0.68 0.98 0.00 0.00 173.24 174.85 1xf5 s VAL 186 N -1.16 0.57 -0.20 5.02 -7.23 -0.76 0.18 120.40 116.82 1xf5 s VAL 186 Ca 0.05 -0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 1xf5 s VAL 186 Cb -0.10 -0.56 -0.00 0.00 0.56 0.00 0.00 36.38 36.28 1xf5 s VAL 186 CO 0.04 0.21 -0.10 0.28 -0.31 0.00 0.00 175.10 175.22 1xf5 s THR 187 N 0.61 2.99 0.18 5.32 -1.32 -1.00 -0.18 115.64 122.23 1xf5 s THR 187 Ca -0.08 -0.63 0.05 0.00 -1.21 0.00 0.00 61.69 59.82 1xf5 s THR 187 Cb -0.12 -2.32 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 1xf5 s THR 187 CO 0.00 0.47 -0.10 0.68 -2.21 0.00 0.00 174.62 173.46 1xf5 s VAL 188 N 1.25 1.34 0.20 5.08 -7.23 -0.13 -4.73 120.40 116.17 1xf5 s VAL 188 Ca 0.03 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 57.78 1xf5 s VAL 188 Cb -0.14 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 34.73 1xf5 s VAL 188 CO -0.04 -0.65 1.51 -2.16 -0.31 0.00 0.00 175.10 173.45 1xf5 s PRO 189 N -3.73 4.23 0.46 4.82 0.04 -1.26 -0.44 135.00 139.13 1xf5 s PRO 189 Ca 0.20 2.34 0.29 0.00 0.04 0.00 0.00 61.00 63.87 1xf5 s PRO 189 Cb 0.02 -3.14 1.37 0.00 0.04 0.00 0.00 34.50 32.79 1xf5 s PRO 189 CO 0.03 -0.53 1.73 0.77 0.04 0.00 0.00 177.00 179.04 1xf5 h SER 190 N 6.06 0.23 0.50 6.66 0.02 -1.74 0.16 113.55 125.44 1xf5 h SER 190 Ca -0.44 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1xf5 h SER 190 Cb 1.21 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1xf5 h SER 190 CO 0.86 -0.01 0.00 -1.54 -1.14 0.00 0.00 176.83 174.99 1xf5 n SER 191 N -4.46 0.10 -0.00 3.07 3.41 -1.26 -2.77 113.62 111.71 1xf5 n SER 191 Ca 0.30 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.53 1xf5 n SER 191 Cb 1.21 -0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 64.49 1xf5 n SER 191 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xf5 n THR 192 N -1.61 0.00 -3.75 6.66 -2.24 0.57 -4.58 114.28 109.33 1xf5 n THR 192 Ca 0.03 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1xf5 n THR 192 Cb 0.17 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 68.99 1xf5 n THR 192 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1xf5 s TRP 193 N -3.08 -0.34 -1.61 4.78 -0.00 -1.11 0.11 118.94 117.68 1xf5 s TRP 193 Ca 0.03 0.81 0.06 0.00 -0.00 0.00 0.00 56.10 57.00 1xf5 s TRP 193 Cb 0.15 0.10 0.31 0.00 -0.00 0.00 0.00 33.47 34.03 1xf5 s TRP 193 CO 0.85 -0.20 0.96 -2.30 -0.00 0.00 0.00 176.95 176.26 1xf5 n PRO 194 N 3.52 0.11 -0.00 5.86 -0.02 -1.26 -4.69 135.00 138.52 1xf5 n PRO 194 Ca -0.18 0.16 -0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1xf5 n PRO 194 Cb 0.56 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1xf5 n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1xf5 h SER 195 N 0.00 -0.01 -2.72 2.55 0.02 -1.81 -3.41 113.55 108.18 1xf5 h SER 195 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1xf5 h SER 195 Cb 0.04 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1xf5 h SER 195 CO 0.00 -0.00 -0.29 -1.61 -1.14 0.00 0.00 176.83 173.79 1xf5 s GLU 196 N -3.02 3.50 0.04 3.45 2.02 0.30 -5.07 118.70 119.93 1xf5 s GLU 196 Ca -0.00 -0.40 -0.26 0.00 0.02 0.00 0.00 54.97 54.32 1xf5 s GLU 196 Cb 0.00 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 1xf5 s GLU 196 CO 0.00 0.30 0.82 0.95 0.02 0.00 0.00 175.26 177.36 1xf5 s THR 197 N -2.07 4.72 -0.19 3.63 -4.23 -1.26 -4.38 115.64 111.87 1xf5 s THR 197 Ca 0.38 1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 62.63 1xf5 s THR 197 Cb -0.10 -4.17 -0.00 0.00 1.34 0.00 0.00 72.50 69.56 1xf5 s THR 197 CO 0.32 0.32 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.93 1xf5 s VAL 198 N 0.14 3.03 -0.04 2.29 1.01 -1.26 -4.98 120.40 120.59 1xf5 s VAL 198 Ca 0.42 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1xf5 s VAL 198 Cb -0.21 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 1xf5 s VAL 198 CO 0.24 0.48 -0.14 -0.89 0.00 0.00 0.00 175.10 174.79 1xf5 s THR 199 N 1.11 1.19 -0.20 3.92 2.01 -1.26 -1.55 115.64 120.86 1xf5 s THR 199 Ca 0.01 -0.58 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 1xf5 s THR 199 Cb -0.14 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1xf5 s THR 199 CO -0.03 0.35 0.55 0.00 -0.69 0.00 0.00 174.62 174.81 1xf5 s ASN 201 N 1.17 4.31 -0.06 0.00 0.01 0.11 -1.37 114.94 119.12 1xf5 s ASN 201 Ca 0.25 -0.72 0.05 0.00 -0.71 0.00 0.00 52.86 51.74 1xf5 s ASN 201 Cb -0.16 -1.69 -0.00 0.00 0.41 0.00 0.00 41.25 39.81 1xf5 s ASN 201 CO 0.10 -0.10 -0.20 0.54 -1.51 0.00 0.00 177.10 175.93 1xf5 s VAL 202 N 1.38 1.69 0.02 1.60 0.11 -0.78 -0.48 120.40 123.93 1xf5 s VAL 202 Ca 0.02 -0.85 0.09 0.00 -2.93 0.00 0.00 61.98 58.31 1xf5 s VAL 202 Cb -0.16 -1.44 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1xf5 s VAL 202 CO -0.04 0.48 -0.26 0.00 -3.33 0.00 0.00 175.10 171.95 1xf5 s ALA 203 N 0.04 2.20 -0.47 1.54 0.00 -0.42 -1.38 121.76 123.26 1xf5 s ALA 203 Ca -0.06 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1xf5 s ALA 203 Cb -0.13 -0.51 0.15 0.00 0.00 0.00 0.00 23.12 22.63 1xf5 s ALA 203 CO 0.03 0.53 0.31 -1.58 0.00 0.00 0.00 175.76 175.05 1xf5 s HIS 204 N -0.71 1.91 0.20 0.00 2.46 0.22 -1.65 115.29 117.72 1xf5 s HIS 204 Ca 0.11 -2.48 -0.16 0.00 0.47 0.00 0.00 55.06 52.99 1xf5 s HIS 204 Cb -0.10 -1.68 0.19 0.00 -0.13 0.00 0.00 32.58 30.86 1xf5 s HIS 204 CO 0.01 -0.76 1.38 -2.30 -2.47 0.00 0.00 174.74 170.60 1xf5 n PRO 205 N 3.13 -0.22 -0.30 2.88 -0.02 -1.26 -1.45 135.00 137.76 1xf5 n PRO 205 Ca 0.16 1.37 0.21 0.00 -2.02 0.00 0.00 63.50 63.22 1xf5 n PRO 205 Cb 0.38 -2.03 0.49 0.00 -0.02 0.00 0.00 33.50 32.32 1xf5 n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xf5 h ALA 206 N 1.17 2.18 -0.19 3.55 0.00 -1.87 0.24 119.26 124.34 1xf5 h ALA 206 Ca 0.30 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xf5 h ALA 206 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xf5 h ALA 206 CO -0.88 -0.53 0.00 -1.13 0.00 0.00 0.00 179.25 176.70 1xf5 n SER 207 N -4.59 2.77 -3.63 0.00 3.41 -0.53 -4.99 113.62 106.06 1xf5 n SER 207 Ca 0.23 -1.81 -0.23 0.00 -0.26 0.00 0.00 58.87 56.80 1xf5 n SER 207 Cb 0.79 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.66 1xf5 n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xf5 n SER 208 N 1.01 -2.99 -4.05 4.04 7.64 0.07 -5.00 113.62 114.34 1xf5 n SER 208 Ca 0.13 -0.85 -0.17 0.00 1.01 0.00 0.00 58.87 58.98 1xf5 n SER 208 Cb 0.46 -4.07 -0.14 0.00 -1.01 0.00 0.00 64.21 59.46 1xf5 n SER 208 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xf5 s THR 209 N -3.58 0.71 -0.06 0.44 -4.23 -1.16 -5.01 115.64 102.76 1xf5 s THR 209 Ca 0.19 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1xf5 s THR 209 Cb -0.05 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.15 1xf5 s THR 209 CO 0.81 0.01 -0.11 -0.54 -0.54 0.00 0.00 174.62 174.26 1xf5 s LYS 210 N -0.72 1.47 -0.11 3.99 1.02 -1.26 -0.61 119.74 123.53 1xf5 s LYS 210 Ca -0.00 -0.36 0.01 0.00 0.02 0.00 0.00 55.97 55.64 1xf5 s LYS 210 Cb -0.06 -1.26 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1xf5 s LYS 210 CO 0.00 0.03 -0.14 0.54 -0.92 0.00 0.00 175.35 174.87 1xf5 s VAL 211 N 0.61 1.41 -0.79 3.17 0.11 -0.48 -5.00 120.40 119.43 1xf5 s VAL 211 Ca -0.12 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 58.32 1xf5 s VAL 211 Cb -0.15 -1.31 0.20 0.00 -1.53 0.00 0.00 36.38 33.60 1xf5 s VAL 211 CO 0.03 0.42 0.66 -1.81 -3.33 0.00 0.00 175.10 171.07 1xf5 s ASP 212 N 1.08 5.76 -0.22 3.54 1.01 -1.26 -1.86 116.67 124.73 1xf5 s ASP 212 Ca -0.05 -3.35 -0.27 0.00 0.71 0.00 0.00 52.55 49.59 1xf5 s ASP 212 Cb -0.15 -1.91 -0.00 0.00 1.01 0.00 0.00 42.92 41.88 1xf5 s ASP 212 CO -0.03 -0.27 0.93 -0.54 0.21 0.00 0.00 175.17 175.47 1xf5 s LYS 213 N -0.79 4.25 0.02 8.23 -0.14 -0.47 -4.86 119.74 125.97 1xf5 s LYS 213 Ca 0.23 1.16 -0.23 0.00 -1.36 0.00 0.00 55.97 55.78 1xf5 s LYS 213 Cb -0.12 -3.63 -0.05 0.00 -1.68 0.00 0.00 37.83 32.35 1xf5 s LYS 213 CO -0.09 -0.53 0.68 0.21 -0.76 0.00 0.00 175.35 174.87 1xf5 s LYS 214 N 2.85 4.41 -0.22 1.68 2.20 -1.26 -0.52 119.74 128.88 1xf5 s LYS 214 Ca 0.40 0.90 -0.23 0.00 -0.36 0.00 0.00 55.97 56.68 1xf5 s LYS 214 Cb -0.16 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1xf5 s LYS 214 CO 0.08 0.31 0.75 0.42 -0.36 0.00 0.00 175.35 176.55 1xf5 s ILE 215 N -0.08 4.91 -0.04 5.43 1.09 -0.59 -4.92 121.20 127.00 1xf5 s ILE 215 Ca 0.35 1.42 0.06 0.00 -1.10 0.00 0.00 60.65 61.39 1xf5 s ILE 215 Cb -0.19 -4.05 -0.01 0.00 -1.06 0.00 0.00 42.46 37.14 1xf5 s ILE 215 CO 0.20 0.01 -0.24 -0.69 -0.10 0.00 0.00 174.94 174.13 1xf5 s VAL 216 N 2.39 1.90 0.43 2.92 1.01 -1.26 -4.63 120.40 123.16 1xf5 s VAL 216 Ca 0.33 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1xf5 s VAL 216 Cb -0.16 -1.59 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 1xf5 s VAL 216 CO 0.09 0.53 1.09 -2.65 0.00 0.00 0.00 175.10 174.16 1xf5 n PRO 217 N 2.77 1.49 0.00 2.72 -0.02 -1.26 -4.81 135.00 135.89 1xf5 n PRO 217 Ca -0.17 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 61.94 1xf5 n PRO 217 Cb 0.52 -2.15 0.52 0.00 -0.02 0.00 0.00 33.50 32.37 1xf5 n PRO 217 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02