#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y48 s GLN 2 N 0.00 4.25 0.05 0.00 0.74 -1.16 -4.11 119.66 119.43 1y48 s GLN 2 Ca 0.00 1.04 0.06 0.00 0.05 0.00 0.00 55.36 56.51 1y48 s GLN 2 Cb 0.00 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.65 1y48 s GLN 2 CO 0.00 0.11 -0.12 -1.12 -0.55 0.00 0.00 175.29 173.61 1y48 s SER 3 N -2.04 4.27 -0.41 6.67 0.01 -0.24 -4.96 113.70 117.01 1y48 s SER 3 Ca 0.56 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 57.38 1y48 s SER 3 Cb -0.12 -0.83 0.05 0.00 0.21 0.00 0.00 66.02 65.33 1y48 s SER 3 CO 0.17 0.23 0.26 -0.69 0.41 0.00 0.00 173.24 173.62 1y48 s VAL 4 N -1.05 4.56 0.52 3.43 1.01 -1.26 -2.57 120.40 125.04 1y48 s VAL 4 Ca 0.18 -1.09 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 1y48 s VAL 4 Cb -0.11 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1y48 s VAL 4 CO 0.09 -0.39 1.14 -2.65 0.00 0.00 0.00 175.10 173.29 1y48 n PRO 5 N 5.00 1.40 -0.18 2.72 -0.02 -1.26 -4.85 135.00 137.81 1y48 n PRO 5 Ca -0.11 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1y48 n PRO 5 Cb 0.44 -2.30 0.45 0.00 -0.02 0.00 0.00 33.50 32.07 1y48 n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1y48 h TYR 6 N 1.25 0.60 -0.39 6.00 -0.00 -1.95 -1.70 116.97 120.79 1y48 h TYR 6 Ca -0.48 0.02 -0.05 0.00 0.00 0.00 0.00 58.73 58.22 1y48 h TYR 6 Cb 1.33 -0.19 -0.02 0.00 0.00 0.00 0.00 36.73 37.85 1y48 h TYR 6 CO 0.43 0.25 0.04 0.78 -0.00 0.00 0.00 178.16 179.65 1y48 h GLY 7 N 0.53 0.64 0.98 0.10 0.00 -1.95 0.20 103.07 103.57 1y48 h GLY 7 Ca 0.37 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1y48 h GLY 7 CO -0.13 0.35 0.01 -2.08 0.00 0.00 0.00 176.54 174.68 1y48 h VAL 8 N 0.57 1.26 -0.34 4.60 2.07 -1.65 -2.54 116.25 120.21 1y48 h VAL 8 Ca 0.13 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 1y48 h VAL 8 Cb 0.31 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1y48 h VAL 8 CO 0.01 0.36 -0.28 0.28 0.02 0.00 0.00 177.57 177.95 1y48 h SER 9 N 0.64 0.73 -0.58 0.57 0.02 -1.37 -2.49 113.55 111.07 1y48 h SER 9 Ca 0.13 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1y48 h SER 9 Cb 0.48 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1y48 h SER 9 CO 0.02 0.97 0.29 -0.61 -1.14 0.00 0.00 176.83 176.36 1y48 h GLN 10 N 0.61 0.86 -0.10 3.45 4.15 -0.31 -1.00 115.11 122.76 1y48 h GLN 10 Ca 0.08 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1y48 h GLN 10 Cb 0.78 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1y48 h GLN 10 CO 0.06 0.67 0.00 0.44 -1.93 0.00 0.00 178.83 178.07 1y48 n ILE 11 N -4.35 0.13 -2.15 2.39 -5.35 -0.99 -4.92 119.36 104.12 1y48 n ILE 11 Ca 0.05 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.19 1y48 n ILE 11 Cb 0.13 0.13 -0.01 0.00 -1.74 0.00 0.00 39.64 38.15 1y48 n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1y48 n LYS 12 N -0.09 -1.01 -0.34 6.28 5.02 -0.38 -0.79 118.16 126.85 1y48 n LYS 12 Ca 0.15 0.65 0.01 0.00 -2.02 0.00 0.00 58.31 57.11 1y48 n LYS 12 Cb 0.23 -4.85 0.17 0.00 -0.02 0.00 0.00 35.03 30.57 1y48 n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y48 h ALA 13 N 0.54 1.39 -0.44 7.82 0.00 -1.66 -2.61 119.26 124.30 1y48 h ALA 13 Ca -0.30 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.70 1y48 h ALA 13 Cb 1.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1y48 h ALA 13 CO 0.36 0.51 0.34 -1.35 0.00 0.00 0.00 179.25 179.11 1y48 h PRO 14 N 1.20 0.00 -0.90 0.00 0.11 -1.88 -0.57 132.00 129.96 1y48 h PRO 14 Ca 0.39 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.52 1y48 h PRO 14 Cb 0.03 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.09 1y48 h PRO 14 CO -0.12 0.00 0.59 0.00 -0.21 0.00 0.00 178.00 178.26 1y48 h ALA 15 N 1.73 1.17 -0.32 -0.75 0.00 -1.86 0.66 119.26 119.88 1y48 h ALA 15 Ca 0.21 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1y48 h ALA 15 Cb 0.89 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1y48 h ALA 15 CO -0.00 0.49 -0.12 -0.07 0.00 0.00 0.00 179.25 179.55 1y48 h LEU 16 N 1.17 0.66 -0.96 0.00 -0.00 -1.23 -2.35 115.31 112.61 1y48 h LEU 16 Ca 0.35 -0.39 0.05 0.00 -0.00 0.00 0.00 57.88 57.89 1y48 h LEU 16 Cb -0.06 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 40.36 1y48 h LEU 16 CO -0.10 0.90 0.62 0.45 -0.00 0.00 0.00 178.44 180.32 1y48 h HIS 17 N 0.42 1.16 -0.02 1.13 3.86 -1.03 -1.09 115.15 119.58 1y48 h HIS 17 Ca 0.08 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.22 1y48 h HIS 17 Cb 0.63 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1y48 h HIS 17 CO 0.06 0.63 -0.42 0.66 0.86 0.00 0.00 177.93 179.71 1y48 h SER 18 N 1.17 0.05 0.81 2.45 4.64 -0.72 -1.07 113.55 120.87 1y48 h SER 18 Ca 0.40 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1y48 h SER 18 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1y48 h SER 18 CO -0.15 0.47 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 1y48 n GLN 19 N -4.03 0.11 0.00 4.77 6.02 -0.57 -4.90 117.38 118.78 1y48 n GLN 19 Ca -0.02 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1y48 n GLN 19 Cb 0.46 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1y48 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y48 n GLY 20 N 0.43 1.06 3.30 1.08 0.00 -0.40 -5.10 105.19 105.55 1y48 n GLY 20 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1y48 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y48 s TYR 21 N -2.00 2.87 -0.00 1.61 2.02 -0.52 -4.97 117.35 116.36 1y48 s TYR 21 Ca 0.00 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 1y48 s TYR 21 Cb 0.00 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1y48 s TYR 21 CO 0.00 -0.46 0.69 0.25 -1.57 0.00 0.00 175.55 174.46 1y48 n THR 22 N 4.28 0.10 -0.46 -0.71 -2.24 -1.26 -3.03 114.28 110.97 1y48 n THR 22 Ca -0.19 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1y48 n THR 22 Cb 0.51 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1y48 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y48 n GLY 23 N -0.06 0.75 3.74 3.38 0.00 -1.26 -0.99 105.19 110.74 1y48 n GLY 23 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1y48 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y48 n SER 24 N 0.37 3.73 -0.50 1.61 2.88 -1.26 -1.76 113.62 118.68 1y48 n SER 24 Ca 0.00 1.15 -0.07 0.00 -1.33 0.00 0.00 58.87 58.62 1y48 n SER 24 Cb 0.00 -1.57 -0.03 0.00 -0.75 0.00 0.00 64.21 61.86 1y48 n SER 24 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1y48 n ASN 25 N 2.18 -4.79 -4.71 -3.46 3.02 -1.26 -4.75 115.26 101.50 1y48 n ASN 25 Ca 0.09 0.16 -0.35 0.00 -0.03 0.00 0.00 54.58 54.45 1y48 n ASN 25 Cb 0.36 -2.87 -0.08 0.00 -0.61 0.00 0.00 39.78 36.58 1y48 n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y48 s VAL 26 N -1.91 5.10 -0.27 2.41 1.01 -0.72 -4.92 120.40 121.10 1y48 s VAL 26 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1y48 s VAL 26 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1y48 s VAL 26 CO 0.00 0.49 0.23 -0.54 0.00 0.00 0.00 175.10 175.28 1y48 s LYS 27 N 0.08 4.00 -0.17 2.72 1.02 -1.26 -0.60 119.74 125.53 1y48 s LYS 27 Ca 0.07 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.87 1y48 s LYS 27 Cb -0.12 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 1y48 s LYS 27 CO -0.00 -0.14 -0.18 0.08 -0.92 0.00 0.00 175.35 174.18 1y48 s VAL 28 N 1.66 2.28 -0.29 3.17 1.01 0.52 -0.49 120.40 128.26 1y48 s VAL 28 Ca 0.09 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1y48 s VAL 28 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1y48 s VAL 28 CO 0.09 0.53 0.42 0.00 0.00 0.00 0.00 175.10 176.14 1y48 s ALA 29 N 1.08 3.54 -0.60 5.51 0.00 -0.19 -0.44 121.76 130.66 1y48 s ALA 29 Ca -0.00 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 1y48 s ALA 29 Cb -0.14 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.23 1y48 s ALA 29 CO -0.07 -0.83 0.87 0.08 0.00 0.00 0.00 175.76 175.82 1y48 s VAL 30 N 2.16 4.49 -0.47 0.00 1.01 -0.22 -1.12 120.40 126.24 1y48 s VAL 30 Ca 0.16 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 1y48 s VAL 30 Cb -0.16 -4.57 0.04 0.00 0.00 0.00 0.00 36.38 31.69 1y48 s VAL 30 CO 0.11 -1.25 0.66 -0.63 0.00 0.00 0.00 175.10 173.99 1y48 s ILE 31 N 3.64 4.81 0.00 2.22 1.01 -0.48 -1.52 121.20 130.88 1y48 s ILE 31 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1y48 s ILE 31 Cb -0.17 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.04 1y48 s ILE 31 CO 0.12 -0.71 0.00 -0.67 0.00 0.00 0.00 174.94 173.68 1y48 n ASP 32 N 6.33 0.00 -1.03 3.58 -0.08 -0.32 -4.25 116.55 120.78 1y48 n ASP 32 Ca -0.03 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.30 1y48 n ASP 32 Cb 0.47 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.13 1y48 n ASP 32 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1y48 n SER 33 N 0.00 2.96 0.00 1.67 3.41 -1.26 -0.16 113.62 120.24 1y48 n SER 33 Ca 0.00 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 1y48 n SER 33 Cb 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1y48 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y48 n GLY 34 N 0.71 0.79 2.80 5.00 0.00 -1.26 -4.26 105.19 108.96 1y48 n GLY 34 Ca 0.14 -2.11 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 1y48 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y48 s ILE 35 N -1.30 0.01 -0.67 -0.61 1.01 -0.60 -3.48 121.20 115.55 1y48 s ILE 35 Ca 0.00 0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.53 1y48 s ILE 35 Cb 0.00 -0.11 0.00 0.00 0.01 0.00 0.00 42.46 42.36 1y48 s ILE 35 CO 0.00 0.09 1.59 -0.62 0.00 0.00 0.00 174.94 176.00 1y48 s ASP 36 N 0.86 5.68 0.36 3.58 2.15 -1.26 -3.89 116.67 124.15 1y48 s ASP 36 Ca -0.07 -0.04 0.27 0.00 0.43 0.00 0.00 52.55 53.14 1y48 s ASP 36 Cb -0.11 -2.54 0.97 0.00 -0.30 0.00 0.00 42.92 40.94 1y48 s ASP 36 CO -0.02 -2.13 1.79 0.77 -0.17 0.00 0.00 175.17 175.41 1y48 h SER 37 N 12.66 0.00 0.90 -0.34 4.64 -1.91 -2.44 113.55 127.05 1y48 h SER 37 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1y48 h SER 37 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1y48 h SER 37 CO 1.25 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 176.01 1y48 n SER 38 N -2.61 0.20 -4.72 4.97 7.64 -1.26 -4.73 113.62 113.11 1y48 n SER 38 Ca 0.03 0.53 -0.42 0.00 1.01 0.00 0.00 58.87 60.02 1y48 n SER 38 Cb 0.33 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 1y48 n SER 38 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1y48 s HIS 39 N -3.05 2.94 -0.81 1.43 2.46 -0.92 -4.87 115.29 112.46 1y48 s HIS 39 Ca 0.10 0.43 0.21 0.00 0.47 0.00 0.00 55.06 56.28 1y48 s HIS 39 Cb 0.14 -4.08 0.86 0.00 -0.13 0.00 0.00 32.58 29.37 1y48 s HIS 39 CO 0.45 -4.06 1.66 -0.35 -2.47 0.00 0.00 174.74 169.97 1y48 n PRO 40 N 3.90 0.09 -0.69 2.88 -0.04 -1.26 -2.09 135.00 137.79 1y48 n PRO 40 Ca 0.15 0.25 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 1y48 n PRO 40 Cb 0.36 -1.65 0.38 0.00 -0.04 0.00 0.00 33.50 32.55 1y48 n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1y48 n ASP 41 N -1.81 5.04 -4.18 3.54 2.03 -1.26 -4.90 116.55 115.01 1y48 n ASP 41 Ca 0.04 -2.56 -0.17 0.00 0.52 0.00 0.00 54.79 52.62 1y48 n ASP 41 Cb 0.25 -0.61 -0.12 0.00 -0.72 0.00 0.00 41.12 39.92 1y48 n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1y48 s LEU 42 N -2.05 2.31 -0.19 -2.67 1.43 -0.89 -0.94 118.68 115.68 1y48 s LEU 42 Ca 0.53 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1y48 s LEU 42 Cb 0.35 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 46.14 1y48 s LEU 42 CO 0.23 -0.12 -0.10 -0.75 0.23 0.00 0.00 176.35 175.85 1y48 s LYS 43 N -1.99 1.93 -0.22 1.70 2.20 -1.26 -4.76 119.74 117.33 1y48 s LYS 43 Ca 0.00 -0.74 -0.10 0.00 -0.36 0.00 0.00 55.97 54.77 1y48 s LYS 43 Cb -0.08 -2.29 -0.05 0.00 -1.51 0.00 0.00 37.83 33.90 1y48 s LYS 43 CO 0.02 -0.40 0.14 0.08 -0.36 0.00 0.00 175.35 174.83 1y48 s VAL 44 N 1.46 5.36 -0.15 4.02 1.01 -1.26 -4.28 120.40 126.55 1y48 s VAL 44 Ca -0.00 0.18 0.19 0.00 0.00 0.00 0.00 61.98 62.35 1y48 s VAL 44 Cb -0.16 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.63 1y48 s VAL 44 CO -0.08 0.39 0.81 0.00 0.00 0.00 0.00 175.10 176.21 1y48 n ALA 45 N 3.96 2.17 0.00 5.51 0.00 0.79 -4.97 120.51 127.97 1y48 n ALA 45 Ca -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1y48 n ALA 45 Cb 0.52 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1y48 n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y48 n GLY 46 N 1.34 -1.03 0.00 0.00 0.00 -1.22 -5.02 105.19 99.25 1y48 n GLY 46 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1y48 n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y48 n GLY 47 N 0.00 -1.10 3.54 -0.02 0.00 -1.26 -1.07 105.19 105.28 1y48 n GLY 47 Ca 0.00 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 1y48 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y48 s ALA 48 N -1.42 -1.81 -0.16 4.61 0.00 -0.43 -4.94 121.76 117.62 1y48 s ALA 48 Ca 0.00 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 1y48 s ALA 48 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1y48 s ALA 48 CO 0.00 -0.35 -0.03 0.45 0.00 0.00 0.00 175.76 175.83 1y48 s SER 49 N -1.07 4.85 0.00 0.00 0.15 -1.26 -1.16 113.70 115.21 1y48 s SER 49 Ca -0.08 -0.12 0.23 0.00 0.70 0.00 0.00 55.95 56.68 1y48 s SER 49 Cb -0.00 -1.80 0.52 0.00 -1.71 0.00 0.00 66.02 63.03 1y48 s SER 49 CO 0.08 0.17 1.46 0.23 1.20 0.00 0.00 173.24 176.37 1y48 n MET 50 N 3.54 2.60 -3.11 5.44 2.81 0.77 -4.91 117.12 124.27 1y48 n MET 50 Ca -0.17 -2.45 -0.43 0.00 -1.81 0.00 0.00 57.70 52.84 1y48 n MET 50 Cb 0.52 -1.53 -0.07 0.00 -0.71 0.00 0.00 33.22 31.44 1y48 n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1y48 s VAL 51 N -1.25 4.84 0.38 2.03 1.01 -1.24 -4.78 120.40 121.40 1y48 s VAL 51 Ca 0.43 0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.80 1y48 s VAL 51 Cb 0.24 -4.16 0.31 0.00 0.00 0.00 0.00 36.38 32.77 1y48 s VAL 51 CO 0.32 -0.50 1.94 -0.65 0.00 0.00 0.00 175.10 176.21 1y48 h PRO 52 N 8.73 0.60 -0.45 2.72 0.11 -1.96 -1.98 132.00 139.78 1y48 h PRO 52 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1y48 h PRO 52 Cb 1.10 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1y48 h PRO 52 CO 0.87 0.40 0.00 -1.13 -0.21 0.00 0.00 178.00 177.93 1y48 n SER 53 N -4.49 3.37 -3.55 -2.05 3.41 -1.26 -4.62 113.62 104.42 1y48 n SER 53 Ca 0.12 -1.97 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 1y48 n SER 53 Cb 0.35 -0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 1y48 n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1y48 s GLU 54 N -1.41 0.88 0.00 4.33 2.02 -0.74 -5.01 118.70 118.77 1y48 s GLU 54 Ca 0.40 -1.68 0.28 0.00 0.02 0.00 0.00 54.97 53.99 1y48 s GLU 54 Cb 0.23 -1.72 1.02 0.00 0.10 0.00 0.00 34.13 33.75 1y48 s GLU 54 CO 0.31 -1.21 1.73 0.25 0.02 0.00 0.00 175.26 176.36 1y48 n THR 55 N 3.71 0.00 -3.49 3.63 -2.24 -1.26 -4.39 114.28 110.25 1y48 n THR 55 Ca 0.13 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1y48 n THR 55 Cb 0.37 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 1y48 n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y48 s ASN 56 N -2.50 6.02 0.08 3.42 3.84 -1.26 -4.50 114.94 120.03 1y48 s ASN 56 Ca 0.26 -1.00 0.21 0.00 0.21 0.00 0.00 52.86 52.54 1y48 s ASN 56 Cb 0.20 -2.13 0.86 0.00 -0.55 0.00 0.00 41.25 39.63 1y48 s ASN 56 CO 0.50 -0.47 1.66 -0.81 -2.79 0.00 0.00 177.10 175.19 1y48 n PRO 57 N 5.12 0.07 -0.25 0.43 -0.04 -1.26 -2.75 135.00 136.32 1y48 n PRO 57 Ca -0.11 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1y48 n PRO 57 Cb 0.46 -1.62 0.21 0.00 -0.04 0.00 0.00 33.50 32.52 1y48 n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1y48 n PHE 58 N -1.75 0.66 -4.10 0.54 3.72 -1.26 -1.56 117.46 113.70 1y48 n PHE 58 Ca 0.04 -0.33 -0.33 0.00 -0.05 0.00 0.00 57.45 56.79 1y48 n PHE 58 Cb 0.25 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.62 1y48 n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1y48 s GLN 59 N -1.36 2.88 -0.41 -1.08 2.00 -1.11 -3.17 119.66 117.41 1y48 s GLN 59 Ca 0.32 -0.79 -0.03 0.00 -2.00 0.00 0.00 55.36 52.86 1y48 s GLN 59 Cb 0.17 -2.49 0.11 0.00 0.80 0.00 0.00 33.01 31.59 1y48 s GLN 59 CO 0.22 -0.21 0.21 0.34 -0.50 0.00 0.00 175.29 175.34 1y48 s ASP 60 N 1.32 5.28 0.00 6.67 2.15 -1.26 -4.61 116.67 126.23 1y48 s ASP 60 Ca 0.05 -1.96 0.29 0.00 0.43 0.00 0.00 52.55 51.36 1y48 s ASP 60 Cb -0.13 -1.84 1.37 0.00 -0.30 0.00 0.00 42.92 42.02 1y48 s ASP 60 CO -0.13 -0.54 1.92 0.59 -0.17 0.00 0.00 175.17 176.85 1y48 n ASN 61 N 4.63 0.94 -0.12 -0.34 3.02 -1.26 -3.99 115.26 118.14 1y48 n ASN 61 Ca -0.03 -1.31 -0.22 0.00 -0.03 0.00 0.00 54.58 52.98 1y48 n ASN 61 Cb 0.41 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.49 1y48 n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1y48 n ASN 62 N -0.26 1.95 0.00 6.41 2.85 -1.26 -4.74 115.26 120.20 1y48 n ASN 62 Ca 0.21 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 1y48 n ASN 62 Cb 0.26 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.72 1y48 n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1y48 n SER 63 N -3.70 0.00 -0.09 1.20 3.41 -1.26 -4.99 113.62 108.20 1y48 n SER 63 Ca -0.45 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.05 1y48 n SER 63 Cb 0.89 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.80 1y48 n SER 63 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1y48 h HIS 64 N 0.00 0.46 -0.29 7.33 6.17 -1.93 -2.25 115.15 124.64 1y48 h HIS 64 Ca 0.00 -0.06 -0.05 0.00 0.71 0.00 0.00 60.37 60.97 1y48 h HIS 64 Cb 0.00 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 29.79 1y48 h HIS 64 CO 0.00 0.53 -0.04 0.78 0.71 0.00 0.00 177.93 179.91 1y48 h GLY 65 N 0.26 0.49 1.37 5.26 0.00 -1.87 -1.20 103.07 107.39 1y48 h GLY 65 Ca 0.08 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 1y48 h GLY 65 CO 0.00 0.27 -0.49 -0.84 0.00 0.00 0.00 176.54 175.49 1y48 h THR 66 N 0.44 1.30 0.12 4.70 2.02 -1.55 0.14 112.91 120.08 1y48 h THR 66 Ca 0.09 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1y48 h THR 66 Cb 0.35 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1y48 h THR 66 CO 0.01 0.54 -0.06 -0.74 0.37 0.00 0.00 175.52 175.64 1y48 h HIS 67 N 0.53 -0.15 -0.52 3.16 6.17 -0.79 -1.87 115.15 121.67 1y48 h HIS 67 Ca 0.03 -0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.20 1y48 h HIS 67 Cb 1.04 0.05 -0.08 0.00 2.52 0.00 0.00 27.41 30.94 1y48 h HIS 67 CO 0.05 0.19 0.03 0.28 0.71 0.00 0.00 177.93 179.19 1y48 h VAL 68 N -0.51 0.62 -0.83 5.26 2.07 -1.22 -2.18 116.25 119.45 1y48 h VAL 68 Ca -0.02 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.52 1y48 h VAL 68 Cb 0.41 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1y48 h VAL 68 CO 0.03 0.03 0.51 0.00 0.02 0.00 0.00 177.57 178.15 1y48 h ALA 69 N 1.45 1.14 -0.25 1.67 0.00 -0.83 -1.84 119.26 120.59 1y48 h ALA 69 Ca 0.26 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1y48 h ALA 69 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1y48 h ALA 69 CO -0.41 0.24 -0.02 0.78 0.00 0.00 0.00 179.25 179.84 1y48 h GLY 70 N 0.93 0.41 1.05 0.00 0.00 -0.86 0.28 103.07 104.87 1y48 h GLY 70 Ca 0.36 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 1y48 h GLY 70 CO -0.17 0.21 -0.21 -0.84 0.00 0.00 0.00 176.54 175.53 1y48 h THR 71 N 0.37 1.28 -0.24 4.70 2.02 -0.95 -0.56 112.91 119.53 1y48 h THR 71 Ca 0.08 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1y48 h THR 71 Cb 0.28 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1y48 h THR 71 CO 0.01 0.46 0.15 0.58 0.37 0.00 0.00 175.52 177.09 1y48 h VAL 72 N 0.69 1.07 0.00 3.16 2.07 -0.80 -1.11 116.25 121.34 1y48 h VAL 72 Ca 0.09 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1y48 h VAL 72 Cb 0.78 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 1y48 h VAL 72 CO 0.06 0.07 -0.29 0.00 0.02 0.00 0.00 177.57 177.44 1y48 n ALA 73 N -2.17 2.65 -1.60 1.67 0.00 0.04 -0.38 120.51 120.72 1y48 n ALA 73 Ca -0.03 -0.64 -0.45 0.00 0.00 0.00 0.00 53.44 52.32 1y48 n ALA 73 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 1y48 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y48 n ALA 74 N 0.06 -0.17 -1.76 0.00 0.00 -0.23 -4.61 120.51 113.80 1y48 n ALA 74 Ca -0.09 0.41 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 1y48 n ALA 74 Cb 0.67 -2.05 0.02 0.00 0.00 0.00 0.00 19.45 18.09 1y48 n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y48 s LEU 75 N 0.41 3.78 -0.49 0.00 1.43 -0.12 -0.70 118.68 122.98 1y48 s LEU 75 Ca 0.63 2.43 -0.22 0.00 -1.03 0.00 0.00 54.13 55.94 1y48 s LEU 75 Cb -0.73 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 41.07 1y48 s LEU 75 CO 0.57 -1.43 0.78 0.21 0.23 0.00 0.00 176.35 176.71 1y48 s ASN 76 N -1.43 6.34 0.00 2.29 2.47 -1.26 -4.59 114.94 118.76 1y48 s ASN 76 Ca 0.73 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.65 1y48 s ASN 76 Cb -0.32 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1y48 s ASN 76 CO 0.36 -0.98 0.00 -0.46 -3.72 0.00 0.00 177.10 172.30 1y48 n ASN 77 N 6.77 0.00 -1.81 -4.21 0.23 -1.26 -5.05 115.26 109.93 1y48 n ASN 77 Ca -0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1y48 n ASN 77 Cb 0.47 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.41 1y48 n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1y48 n SER 78 N 0.00 3.88 -4.14 0.53 3.41 -1.26 -4.44 113.62 111.60 1y48 n SER 78 Ca 0.00 -3.46 -0.09 0.00 -0.26 0.00 0.00 58.87 55.06 1y48 n SER 78 Cb 0.00 -0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 63.11 1y48 n SER 78 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1y48 s ILE 79 N -3.14 0.24 0.00 -1.33 -4.36 -1.26 -2.38 121.20 108.96 1y48 s ILE 79 Ca 0.53 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1y48 s ILE 79 Cb 0.44 -1.85 0.00 0.00 1.25 0.00 0.00 42.46 42.30 1y48 s ILE 79 CO 0.09 -0.67 0.00 0.61 0.24 0.00 0.00 174.94 175.21 1y48 n GLY 80 N -0.04 3.17 2.60 6.27 0.00 -1.26 -4.47 105.19 111.47 1y48 n GLY 80 Ca -0.09 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 1y48 n GLY 80 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1y48 n VAL 81 N 0.00 0.00 -4.80 1.61 0.24 -1.26 -1.07 118.33 113.05 1y48 n VAL 81 Ca 0.00 -1.63 -0.26 0.00 -2.04 0.00 0.00 64.34 60.41 1y48 n VAL 81 Cb 0.00 0.14 -0.16 0.00 -1.47 0.00 0.00 33.84 32.34 1y48 n VAL 81 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1y48 s LEU 82 N 0.00 1.84 0.66 1.34 2.96 -1.06 -4.52 118.68 119.90 1y48 s LEU 82 Ca 0.09 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1y48 s LEU 82 Cb -0.01 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.71 1y48 s LEU 82 CO 0.06 0.11 1.02 -0.83 -1.32 0.00 0.00 176.35 175.38 1y48 s GLY 83 N 0.31 1.62 0.20 7.98 0.00 0.12 -4.63 107.32 112.92 1y48 s GLY 83 Ca -0.10 -0.51 -0.10 0.00 0.00 0.00 0.00 44.72 44.00 1y48 s GLY 83 CO 0.04 -0.17 1.85 -2.08 0.00 0.00 0.00 173.10 172.74 1y48 h VAL 84 N -0.46 1.12 -2.56 1.40 2.07 -1.06 -3.35 116.25 113.41 1y48 h VAL 84 Ca -0.45 -0.30 -0.60 0.00 0.82 0.00 0.00 66.70 66.17 1y48 h VAL 84 Cb 1.26 0.16 -0.41 0.00 -1.52 0.00 0.00 31.29 30.78 1y48 h VAL 84 CO 0.62 0.16 -0.71 0.00 0.02 0.00 0.00 177.57 177.66 1y48 n ALA 85 N -2.31 3.40 0.42 1.67 0.00 0.48 -4.88 120.51 119.30 1y48 n ALA 85 Ca 0.07 -4.23 0.09 0.00 0.00 0.00 0.00 53.44 49.37 1y48 n ALA 85 Cb 0.06 -0.92 0.38 0.00 0.00 0.00 0.00 19.45 18.98 1y48 n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1y48 n PRO 86 N 1.70 0.09 -0.15 0.00 -0.04 -0.96 -1.50 135.00 134.14 1y48 n PRO 86 Ca 0.25 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 64.17 1y48 n PRO 86 Cb 0.41 -1.68 0.19 0.00 -0.04 0.00 0.00 33.50 32.38 1y48 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1y48 n SER 87 N -1.84 3.32 -4.69 3.54 7.64 -0.16 -4.50 113.62 116.93 1y48 n SER 87 Ca 0.03 -1.97 -0.37 0.00 1.01 0.00 0.00 58.87 57.56 1y48 n SER 87 Cb 0.18 -0.20 0.07 0.00 -1.01 0.00 0.00 64.21 63.25 1y48 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y48 n ALA 88 N 1.41 0.83 -2.56 -0.43 0.00 -0.56 -4.07 120.51 115.12 1y48 n ALA 88 Ca 0.18 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 1y48 n ALA 88 Cb 0.59 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.73 1y48 n ALA 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1y48 s SER 89 N -1.36 6.49 -0.20 0.00 0.01 0.24 -4.95 113.70 113.93 1y48 s SER 89 Ca 0.81 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 58.09 1y48 s SER 89 Cb -0.39 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.38 1y48 s SER 89 CO 0.42 -0.89 0.19 -0.22 0.41 0.00 0.00 173.24 173.15 1y48 s LEU 90 N 3.36 4.19 -0.14 2.44 2.96 -1.26 -0.35 118.68 129.87 1y48 s LEU 90 Ca 0.33 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 1y48 s LEU 90 Cb -0.12 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.40 1y48 s LEU 90 CO 0.22 0.12 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.86 1y48 s TYR 91 N 0.63 2.71 -0.54 5.38 1.51 0.42 -0.15 117.35 127.30 1y48 s TYR 91 Ca 0.10 -1.15 -0.26 0.00 -1.01 0.00 0.00 57.07 54.75 1y48 s TYR 91 Cb -0.12 -1.84 0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1y48 s TYR 91 CO 0.01 -0.51 1.02 0.00 -1.11 0.00 0.00 175.55 174.97 1y48 s ALA 92 N 0.74 3.12 -0.55 3.71 0.00 -0.23 -1.06 121.76 127.49 1y48 s ALA 92 Ca -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 1y48 s ALA 92 Cb -0.16 -3.82 0.14 0.00 0.00 0.00 0.00 23.12 19.29 1y48 s ALA 92 CO 0.00 -2.41 0.37 0.08 0.00 0.00 0.00 175.76 173.80 1y48 s VAL 93 N 4.25 3.70 -0.33 0.00 1.01 -0.57 -1.31 120.40 127.14 1y48 s VAL 93 Ca 0.36 -2.52 -0.24 0.00 0.00 0.00 0.00 61.98 59.58 1y48 s VAL 93 Cb -0.10 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.84 1y48 s VAL 93 CO 0.23 -0.81 0.84 -0.75 0.00 0.00 0.00 175.10 174.61 1y48 s LYS 94 N 0.49 3.90 0.00 2.72 2.20 -0.31 -1.17 119.74 127.56 1y48 s LYS 94 Ca 0.13 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1y48 s LYS 94 Cb -0.21 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 1y48 s LYS 94 CO -0.04 -0.80 0.31 1.33 -0.36 0.00 0.00 175.35 175.80 1y48 n VAL 95 N 5.72 0.00 -5.08 4.02 0.24 0.78 -0.17 118.33 123.84 1y48 n VAL 95 Ca 0.05 -0.33 -0.31 0.00 -2.04 0.00 0.00 64.34 61.71 1y48 n VAL 95 Cb 0.48 1.33 -0.15 0.00 -1.47 0.00 0.00 33.84 34.03 1y48 n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1y48 s LEU 96 N -0.07 2.33 0.00 1.34 1.43 -0.78 -4.34 118.68 118.58 1y48 s LEU 96 Ca 0.00 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1y48 s LEU 96 Cb 0.00 -1.42 0.13 0.00 0.03 0.00 0.00 46.19 44.93 1y48 s LEU 96 CO 0.00 0.32 0.83 0.61 0.23 0.00 0.00 176.35 178.33 1y48 n GLY 97 N 2.26 -0.23 0.42 -3.19 0.00 -0.71 -4.39 105.19 99.35 1y48 n GLY 97 Ca -0.16 -1.87 0.28 0.00 0.00 0.00 0.00 46.02 44.26 1y48 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y48 h ALA 98 N -1.13 2.37 -0.01 4.61 0.00 -1.89 0.67 119.26 123.89 1y48 h ALA 98 Ca -0.27 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1y48 h ALA 98 Cb 0.87 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1y48 h ALA 98 CO 0.24 -0.90 0.00 -0.40 0.00 0.00 0.00 179.25 178.19 1y48 n ASP 99 N -4.72 0.37 0.00 0.00 5.68 -1.26 -4.21 116.55 112.41 1y48 n ASP 99 Ca 0.31 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1y48 n ASP 99 Cb 1.10 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 1y48 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y48 n GLY 100 N 1.03 0.75 3.46 6.12 0.00 0.23 -5.05 105.19 111.73 1y48 n GLY 100 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1y48 n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y48 s SER 101 N -2.41 3.69 0.02 1.61 0.15 -1.26 -4.84 113.70 110.66 1y48 s SER 101 Ca 0.00 -0.67 -0.09 0.00 0.70 0.00 0.00 55.95 55.89 1y48 s SER 101 Cb 0.00 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1y48 s SER 101 CO 0.00 0.16 0.18 -0.83 1.20 0.00 0.00 173.24 173.95 1y48 s GLY 102 N -2.28 0.03 0.54 9.45 0.00 -1.26 -1.74 107.32 112.05 1y48 s GLY 102 Ca 0.18 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.56 1y48 s GLY 102 CO 0.09 -0.33 1.03 1.20 0.00 0.00 0.00 173.10 175.09 1y48 s GLN 103 N -1.96 3.63 0.28 2.90 -1.52 -1.26 -4.92 119.66 116.80 1y48 s GLN 103 Ca -0.10 1.20 0.02 0.00 -1.95 0.00 0.00 55.36 54.53 1y48 s GLN 103 Cb -0.04 -2.08 0.58 0.00 -0.22 0.00 0.00 33.01 31.25 1y48 s GLN 103 CO -0.01 -0.55 1.81 1.88 -0.25 0.00 0.00 175.29 178.17 1y48 h TYR 104 N 0.94 1.08 -0.00 0.91 -1.99 -2.00 -1.07 116.97 114.84 1y48 h TYR 104 Ca -0.48 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.23 1y48 h TYR 104 Cb 1.21 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 39.60 1y48 h TYR 104 CO 0.59 0.38 -0.27 0.66 -0.00 0.00 0.00 178.16 179.52 1y48 h SER 105 N 0.90 0.00 -0.16 3.88 4.64 -1.99 -0.22 113.55 120.61 1y48 h SER 105 Ca 0.50 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.81 1y48 h SER 105 Cb 0.58 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1y48 h SER 105 CO -0.30 0.27 0.05 -0.50 -0.87 0.00 0.00 176.83 175.48 1y48 h TRP 106 N 0.00 0.26 -0.44 4.77 6.55 -1.50 -0.71 115.95 124.88 1y48 h TRP 106 Ca -0.00 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1y48 h TRP 106 Cb 0.48 -0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.69 1y48 h TRP 106 CO 0.00 0.37 0.29 0.82 -1.05 0.00 0.00 178.44 178.87 1y48 h ILE 107 N 0.08 1.12 -0.63 1.49 5.03 -1.19 -1.42 117.51 121.98 1y48 h ILE 107 Ca 0.05 -0.21 -0.02 0.00 -0.12 0.00 0.00 64.86 64.56 1y48 h ILE 107 Cb 0.23 0.47 -0.03 0.00 -3.03 0.00 0.00 36.82 34.46 1y48 h ILE 107 CO -0.00 0.11 0.33 0.40 -0.68 0.00 0.00 178.15 178.31 1y48 h ILE 108 N 0.60 1.21 -0.31 -0.67 2.04 -0.98 -0.29 117.51 119.10 1y48 h ILE 108 Ca 0.16 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1y48 h ILE 108 Cb -0.07 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1y48 h ILE 108 CO -0.03 0.23 0.09 0.78 0.00 0.00 0.00 178.15 179.22 1y48 h ASN 109 N 0.87 0.40 -0.20 1.72 2.35 -0.78 0.96 115.58 120.90 1y48 h ASN 109 Ca 0.22 -0.04 -0.19 0.00 -0.55 0.00 0.00 56.30 55.73 1y48 h ASN 109 Cb 0.08 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1y48 h ASN 109 CO -0.03 0.40 -0.61 1.23 -1.65 0.00 0.00 177.43 176.76 1y48 h GLY 110 N 0.64 0.89 0.94 2.83 0.00 -0.17 0.04 103.07 108.25 1y48 h GLY 110 Ca 0.11 -1.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.33 1y48 h GLY 110 CO -0.01 0.98 0.16 -2.22 0.00 0.00 0.00 176.54 175.46 1y48 h ILE 111 N 0.60 1.17 -0.82 2.60 2.04 -0.52 -0.26 117.51 122.33 1y48 h ILE 111 Ca -0.00 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.40 1y48 h ILE 111 Cb 1.22 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 1y48 h ILE 111 CO 0.13 0.19 0.51 -0.33 0.00 0.00 0.00 178.15 178.64 1y48 h GLU 112 N 0.44 0.92 -0.65 2.37 4.39 -0.75 -1.34 114.58 119.95 1y48 h GLU 112 Ca 0.12 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1y48 h GLU 112 Cb 0.14 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1y48 h GLU 112 CO -0.01 0.61 0.26 2.35 -1.16 0.00 0.00 179.01 181.05 1y48 h TRP 113 N 0.94 0.99 -0.68 4.33 7.01 -0.51 -1.34 115.95 126.70 1y48 h TRP 113 Ca 0.35 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 1y48 h TRP 113 Cb 0.13 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1y48 h TRP 113 CO -0.04 0.78 0.36 0.00 -2.79 0.00 0.00 178.44 176.75 1y48 h ALA 114 N 1.11 0.88 -0.39 2.65 0.00 -0.55 0.67 119.26 123.63 1y48 h ALA 114 Ca 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1y48 h ALA 114 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1y48 h ALA 114 CO -0.02 0.41 0.13 0.82 0.00 0.00 0.00 179.25 180.59 1y48 h ILE 115 N 0.94 1.21 0.00 0.00 2.04 -1.00 -1.89 117.51 118.81 1y48 h ILE 115 Ca 0.24 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1y48 h ILE 115 Cb 0.07 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1y48 h ILE 115 CO -0.04 0.24 -0.19 0.00 0.00 0.00 0.00 178.15 178.17 1y48 h ALA 116 N 0.97 1.05 -0.61 1.87 0.00 -0.82 -2.50 119.26 119.22 1y48 h ALA 116 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y48 h ALA 116 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1y48 h ALA 116 CO -0.00 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.57 1y48 n ASN 117 N -3.39 5.15 -3.18 0.00 3.02 0.19 -4.97 115.26 112.08 1y48 n ASN 117 Ca -0.00 -2.67 -0.22 0.00 -0.03 0.00 0.00 54.58 51.66 1y48 n ASN 117 Cb 0.39 -0.62 0.06 0.00 -0.61 0.00 0.00 39.78 39.00 1y48 n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1y48 n ASN 118 N 0.87 -6.04 -4.77 6.41 3.02 -0.94 -4.96 115.26 108.84 1y48 n ASN 118 Ca 0.27 -0.41 -0.40 0.00 -0.03 0.00 0.00 54.58 54.00 1y48 n ASN 118 Cb 1.02 -4.75 -0.02 0.00 -0.61 0.00 0.00 39.78 35.43 1y48 n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1y48 s MET 119 N -5.99 4.27 0.06 3.52 -1.94 -0.74 -4.85 119.30 113.62 1y48 s MET 119 Ca 0.44 2.20 0.13 0.00 -1.71 0.00 0.00 55.69 56.76 1y48 s MET 119 Cb -0.20 -3.00 -0.16 0.00 2.01 0.00 0.00 34.83 33.48 1y48 s MET 119 CO 0.55 -0.26 0.92 -0.44 -0.01 0.00 0.00 175.02 175.78 1y48 h ASP 120 N 3.21 0.00 -3.74 3.03 3.32 -1.13 -3.43 116.42 117.68 1y48 h ASP 120 Ca -0.49 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.34 1y48 h ASP 120 Cb 1.23 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.50 1y48 h ASP 120 CO 0.65 0.81 -0.65 -0.69 -1.72 0.00 0.00 179.24 177.63 1y48 s VAL 121 N -2.76 -0.00 -0.10 -1.35 1.01 -0.79 -1.51 120.40 114.91 1y48 s VAL 121 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1y48 s VAL 121 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.36 1y48 s VAL 121 CO 0.81 0.00 -0.16 -0.63 0.00 0.00 0.00 175.10 175.13 1y48 s ILE 122 N 0.06 2.86 -0.15 2.22 1.01 0.24 -1.03 121.20 126.42 1y48 s ILE 122 Ca -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1y48 s ILE 122 Cb -0.01 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1y48 s ILE 122 CO -0.00 0.55 -0.08 0.21 0.00 0.00 0.00 174.94 175.62 1y48 s ASN 123 N 0.00 4.45 -0.49 3.58 2.47 -0.28 -0.92 114.94 123.76 1y48 s ASN 123 Ca -0.05 -0.22 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1y48 s ASN 123 Cb -0.14 -1.71 0.13 0.00 -1.45 0.00 0.00 41.25 38.08 1y48 s ASN 123 CO 0.04 0.16 0.25 -0.04 -3.72 0.00 0.00 177.10 173.80 1y48 s MET 124 N 0.38 1.67 -1.41 0.43 -1.94 0.01 -1.38 119.30 117.07 1y48 s MET 124 Ca -0.07 -2.36 -0.11 0.00 -1.71 0.00 0.00 55.69 51.45 1y48 s MET 124 Cb -0.15 -2.88 0.07 0.00 2.01 0.00 0.00 34.83 33.88 1y48 s MET 124 CO 0.04 -1.13 2.25 0.43 -0.01 0.00 0.00 175.02 176.60 1y48 n SER 125 N 3.29 5.67 -3.67 3.03 7.64 -1.26 -2.15 113.62 126.17 1y48 n SER 125 Ca 0.07 -2.93 -0.08 0.00 1.01 0.00 0.00 58.87 56.93 1y48 n SER 125 Cb 0.33 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 61.97 1y48 n SER 125 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1y48 s LEU 126 N 0.45 -0.35 0.00 -3.43 0.05 -1.26 -4.80 118.68 109.34 1y48 s LEU 126 Ca 0.49 -0.32 0.00 0.00 0.05 0.00 0.00 54.13 54.35 1y48 s LEU 126 Cb 0.14 2.51 0.00 0.00 -2.05 0.00 0.00 46.19 46.79 1y48 s LEU 126 CO -0.05 -1.08 0.00 0.61 -0.55 0.00 0.00 176.35 175.28 1y48 n GLY 127 N -0.41 0.18 3.54 -3.48 0.00 -1.26 -4.45 105.19 99.30 1y48 n GLY 127 Ca -0.09 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1y48 n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y48 s GLY 128 N 0.00 0.07 0.37 -0.02 0.00 0.07 -4.94 107.32 102.88 1y48 s GLY 128 Ca 0.00 -0.41 0.27 0.00 0.00 0.00 0.00 44.72 44.58 1y48 s GLY 128 CO 0.00 -0.37 1.80 -0.56 0.00 0.00 0.00 173.10 173.98 1y48 h PRO 129 N 2.23 0.00 -6.72 2.90 0.13 -1.95 0.13 132.00 128.71 1y48 h PRO 129 Ca -0.28 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.17 1y48 h PRO 129 Cb 1.26 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.18 1y48 h PRO 129 CO 0.37 0.00 -0.81 -1.12 -0.23 0.00 0.00 178.00 176.20 1y48 s SER 130 N -5.01 3.76 0.22 1.44 0.01 -1.26 -4.75 113.70 108.11 1y48 s SER 130 Ca 0.04 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 56.78 1y48 s SER 130 Cb 0.09 -0.50 0.03 0.00 0.21 0.00 0.00 66.02 65.85 1y48 s SER 130 CO 0.51 0.20 0.29 0.61 0.41 0.00 0.00 173.24 175.25 1y48 n GLY 131 N 1.00 2.03 3.19 3.44 0.00 -1.26 -4.71 105.19 108.88 1y48 n GLY 131 Ca -0.16 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 1y48 n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y48 s SER 132 N -2.35 0.04 0.31 1.61 1.04 -1.26 -5.03 113.70 108.06 1y48 s SER 132 Ca 0.22 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1y48 s SER 132 Cb -0.02 0.30 0.54 0.00 0.10 0.00 0.00 66.02 66.94 1y48 s SER 132 CO 0.14 -0.59 1.94 0.00 0.98 0.00 0.00 173.24 175.71 1y48 h ALA 133 N 3.33 1.51 -0.03 5.32 0.00 -2.01 -1.00 119.26 126.39 1y48 h ALA 133 Ca -0.32 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1y48 h ALA 133 Cb 1.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1y48 h ALA 133 CO 0.49 0.38 -0.80 0.00 0.00 0.00 0.00 179.25 179.33 1y48 h ALA 134 N 1.52 0.59 -0.19 0.00 0.00 -1.98 0.86 119.26 120.05 1y48 h ALA 134 Ca 0.35 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1y48 h ALA 134 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1y48 h ALA 134 CO -0.11 0.83 0.04 1.25 0.00 0.00 0.00 179.25 181.25 1y48 h LEU 135 N 0.17 0.30 -0.70 0.00 5.85 -1.86 -0.87 115.31 118.21 1y48 h LEU 135 Ca -0.04 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.47 1y48 h LEU 135 Cb 1.39 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 1y48 h LEU 135 CO 0.13 0.48 0.43 0.50 -0.34 0.00 0.00 178.44 179.64 1y48 h LYS 136 N 0.12 0.81 -0.68 1.25 3.64 -1.06 -1.71 116.57 118.94 1y48 h LYS 136 Ca 0.06 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1y48 h LYS 136 Cb 0.30 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1y48 h LYS 136 CO 0.00 0.54 0.27 0.00 -2.27 0.00 0.00 179.45 177.99 1y48 h ALA 137 N 1.31 1.19 -0.19 5.00 0.00 -0.59 -0.19 119.26 125.79 1y48 h ALA 137 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1y48 h ALA 137 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1y48 h ALA 137 CO -0.12 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.75 1y48 h ALA 138 N 1.31 0.25 -0.19 0.00 0.00 -0.43 -0.76 119.26 119.44 1y48 h ALA 138 Ca 0.23 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1y48 h ALA 138 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1y48 h ALA 138 CO -0.02 -0.08 -0.48 -0.39 0.00 0.00 0.00 179.25 178.28 1y48 h VAL 139 N 0.11 1.32 -0.56 0.00 -1.51 -1.19 -1.28 116.25 113.14 1y48 h VAL 139 Ca 0.06 -1.69 -0.07 0.00 -1.23 0.00 0.00 66.70 63.76 1y48 h VAL 139 Cb 0.31 1.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 1y48 h VAL 139 CO 0.00 0.52 0.06 0.44 -1.23 0.00 0.00 177.57 177.37 1y48 h ASP 140 N 0.40 0.88 -0.54 4.19 3.32 -0.95 -1.55 116.42 122.18 1y48 h ASP 140 Ca 0.02 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.75 1y48 h ASP 140 Cb 0.99 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1y48 h ASP 140 CO 0.09 0.91 -0.11 0.50 -1.72 0.00 0.00 179.24 178.90 1y48 h LYS 141 N 0.86 1.03 -0.57 3.56 3.64 -0.90 0.10 116.57 124.30 1y48 h LYS 141 Ca 0.17 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1y48 h LYS 141 Cb 0.43 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1y48 h LYS 141 CO 0.01 1.08 0.26 0.00 -2.27 0.00 0.00 179.45 178.53 1y48 h ALA 142 N 0.92 0.73 -0.34 5.00 0.00 -0.85 -0.05 119.26 124.68 1y48 h ALA 142 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1y48 h ALA 142 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1y48 h ALA 142 CO 0.05 0.31 0.03 0.28 0.00 0.00 0.00 179.25 179.93 1y48 h VAL 143 N 0.77 1.25 -0.44 0.00 2.07 -1.10 -1.18 116.25 117.62 1y48 h VAL 143 Ca 0.19 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.92 1y48 h VAL 143 Cb 0.15 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1y48 h VAL 143 CO -0.02 0.29 0.30 0.00 0.02 0.00 0.00 177.57 178.16 1y48 h ALA 144 N 0.88 2.17 -0.00 1.67 0.00 -0.53 -0.37 119.26 123.07 1y48 h ALA 144 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1y48 h ALA 144 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1y48 h ALA 144 CO 0.01 -0.27 -0.04 0.43 0.00 0.00 0.00 179.25 179.38 1y48 n SER 145 N -4.45 0.15 0.00 0.00 7.64 -0.06 -4.92 113.62 111.99 1y48 n SER 145 Ca 0.07 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1y48 n SER 145 Cb 0.38 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1y48 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y48 n GLY 146 N 1.27 0.83 3.76 0.23 0.00 -0.15 -5.07 105.19 106.07 1y48 n GLY 146 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1y48 n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y48 s VAL 147 N -2.00 4.65 -0.19 1.61 1.01 -0.49 -4.11 120.40 120.88 1y48 s VAL 147 Ca 0.00 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 1y48 s VAL 147 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1y48 s VAL 147 CO 0.00 0.43 1.04 -0.69 0.00 0.00 0.00 175.10 175.88 1y48 s VAL 148 N -0.47 4.70 -0.16 2.92 1.01 -0.57 -4.18 120.40 123.64 1y48 s VAL 148 Ca 0.36 2.02 -0.01 0.00 0.00 0.00 0.00 61.98 64.35 1y48 s VAL 148 Cb -0.21 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1y48 s VAL 148 CO 0.23 -0.12 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 1y48 s VAL 149 N 2.86 2.92 -0.03 2.92 1.01 -1.26 -0.59 120.40 128.22 1y48 s VAL 149 Ca 0.46 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1y48 s VAL 149 Cb -0.16 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1y48 s VAL 149 CO 0.10 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.83 1y48 s VAL 150 N 0.80 1.42 0.05 2.92 1.01 -0.10 -1.20 120.40 125.30 1y48 s VAL 150 Ca -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1y48 s VAL 150 Cb -0.15 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1y48 s VAL 150 CO 0.01 0.41 -0.03 0.00 0.00 0.00 0.00 175.10 175.48 1y48 s ALA 151 N -0.23 0.47 0.35 5.51 0.00 -0.19 -0.81 121.76 126.85 1y48 s ALA 151 Ca 0.03 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.60 1y48 s ALA 151 Cb -0.09 0.24 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 1y48 s ALA 151 CO 0.00 -0.32 1.40 0.00 0.00 0.00 0.00 175.76 176.85 1y48 s ALA 152 N -3.41 3.54 0.27 0.00 0.00 -0.91 -1.49 121.76 119.76 1y48 s ALA 152 Ca 0.03 1.42 0.20 0.00 0.00 0.00 0.00 51.96 53.61 1y48 s ALA 152 Cb 0.04 -3.55 0.90 0.00 0.00 0.00 0.00 23.12 20.51 1y48 s ALA 152 CO -0.08 -0.85 1.84 0.00 0.00 0.00 0.00 175.76 176.68 1y48 h ALA 153 N 3.31 1.14 0.00 0.00 0.00 -1.00 -3.40 119.26 119.31 1y48 h ALA 153 Ca -0.50 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1y48 h ALA 153 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y48 h ALA 153 CO 0.66 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.69 1y48 n GLY 154 N -0.14 2.96 2.05 0.00 0.00 -1.26 -0.61 105.19 108.19 1y48 n GLY 154 Ca -0.01 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 1y48 n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y48 n ASN 155 N 0.00 5.50 -0.27 1.61 3.02 -1.26 -0.77 115.26 123.09 1y48 n ASN 155 Ca 0.00 -3.76 0.14 0.00 -0.03 0.00 0.00 54.58 50.92 1y48 n ASN 155 Cb 0.00 -0.51 0.48 0.00 -0.61 0.00 0.00 39.78 39.15 1y48 n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y48 n GLU 156 N -0.78 1.02 0.00 3.52 -0.58 -0.96 -4.73 120.64 118.13 1y48 n GLU 156 Ca 0.48 -0.54 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1y48 n GLU 156 Cb 0.89 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1y48 n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y48 n GLY 157 N 1.27 1.72 3.82 0.62 0.00 0.34 -4.78 105.19 108.18 1y48 n GLY 157 Ca 0.15 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 1y48 n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y48 s THR 158 N 0.00 4.59 -0.42 2.61 -4.23 -1.26 -3.65 115.64 113.27 1y48 s THR 158 Ca 0.00 -1.10 0.08 0.00 -1.18 0.00 0.00 61.69 59.49 1y48 s THR 158 Cb 0.00 -3.37 0.27 0.00 1.34 0.00 0.00 72.50 70.73 1y48 s THR 158 CO 0.00 -0.16 0.71 -0.24 -0.54 0.00 0.00 174.62 174.39 1y48 n SER 159 N -0.55 -0.82 0.00 3.99 2.88 -1.26 -5.09 113.62 112.78 1y48 n SER 159 Ca -0.08 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 1y48 n SER 159 Cb 0.55 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 1y48 n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y48 n GLY 160 N 1.22 3.84 0.88 0.46 0.00 -1.26 -1.79 105.19 108.54 1y48 n GLY 160 Ca 0.17 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.36 1y48 n GLY 160 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y48 n SER 161 N 9.26 3.22 -4.81 1.61 3.41 -1.26 -5.00 113.62 120.05 1y48 n SER 161 Ca 0.00 -1.97 -0.35 0.00 -0.26 0.00 0.00 58.87 56.30 1y48 n SER 161 Cb 0.00 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 1y48 n SER 161 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1y48 s SER 162 N -1.03 7.05 0.30 4.04 0.01 -0.74 -5.04 113.70 118.30 1y48 s SER 162 Ca 0.31 1.61 -0.29 0.00 1.31 0.00 0.00 55.95 58.89 1y48 s SER 162 Cb 0.17 -2.50 -0.10 0.00 0.21 0.00 0.00 66.02 63.80 1y48 s SER 162 CO 0.22 -0.16 1.28 -0.55 0.41 0.00 0.00 173.24 174.44 1y48 s SER 163 N -1.92 6.87 -0.03 2.44 0.15 -1.26 -4.43 113.70 115.51 1y48 s SER 163 Ca 0.53 2.58 0.05 0.00 0.70 0.00 0.00 55.95 59.81 1y48 s SER 163 Cb -0.14 -2.64 0.08 0.00 -1.71 0.00 0.00 66.02 61.61 1y48 s SER 163 CO 0.19 -0.48 1.05 0.35 1.20 0.00 0.00 173.24 175.55 1y48 n THR 164 N 1.17 1.20 -1.98 6.45 -2.24 0.11 -4.98 114.28 114.01 1y48 n THR 164 Ca 0.01 -1.27 -0.42 0.00 -2.27 0.00 0.00 64.05 60.10 1y48 n THR 164 Cb 0.42 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1y48 n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y48 s VAL 165 N -1.40 2.75 0.76 2.28 1.01 -1.15 -4.62 120.40 120.03 1y48 s VAL 165 Ca 0.08 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1y48 s VAL 165 Cb 0.07 -3.35 0.14 0.00 0.00 0.00 0.00 36.38 33.24 1y48 s VAL 165 CO 0.01 0.04 1.04 -0.83 0.00 0.00 0.00 175.10 175.37 1y48 s GLY 166 N 1.13 1.76 0.06 4.51 0.00 0.22 -4.70 107.32 110.30 1y48 s GLY 166 Ca 0.69 -1.66 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 1y48 s GLY 166 CO 0.31 -1.06 0.29 -0.19 0.00 0.00 0.00 173.10 172.45 1y48 s TYR 167 N -3.25 3.54 -2.21 1.90 2.02 0.03 -0.02 117.35 119.35 1y48 s TYR 167 Ca 0.67 0.52 0.25 0.00 -0.37 0.00 0.00 57.07 58.15 1y48 s TYR 167 Cb -0.05 -1.96 1.19 0.00 -0.40 0.00 0.00 41.96 40.74 1y48 s TYR 167 CO 0.46 0.56 1.80 -0.35 -1.57 0.00 0.00 175.55 176.45 1y48 n PRO 168 N 0.69 1.38 0.17 -1.71 -0.04 -1.26 -0.75 135.00 133.48 1y48 n PRO 168 Ca -0.08 -0.56 0.07 0.00 -0.04 0.00 0.00 63.50 62.89 1y48 n PRO 168 Cb 0.52 -1.42 0.57 0.00 -0.04 0.00 0.00 33.50 33.13 1y48 n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1y48 h GLY 169 N 5.05 0.19 2.00 0.55 0.00 -1.63 -1.82 103.07 107.41 1y48 h GLY 169 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1y48 h GLY 169 CO 0.00 0.07 -0.08 1.70 0.00 0.00 0.00 176.54 178.22 1y48 h LYS 170 N 0.18 0.00 -6.71 4.80 3.64 -0.72 -3.37 116.57 114.39 1y48 h LYS 170 Ca 0.05 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.90 1y48 h LYS 170 Cb -0.02 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 31.85 1y48 h LYS 170 CO -0.01 0.08 0.74 0.71 -2.27 0.00 0.00 179.45 178.71 1y48 s TYR 171 N -3.74 3.09 0.46 1.91 2.02 -0.69 -4.93 117.35 115.48 1y48 s TYR 171 Ca 0.00 1.03 0.19 0.00 -0.37 0.00 0.00 57.07 57.93 1y48 s TYR 171 Cb 0.10 -3.77 1.18 0.00 -0.40 0.00 0.00 41.96 39.07 1y48 s TYR 171 CO 0.57 -2.53 1.95 -1.35 -1.57 0.00 0.00 175.55 172.62 1y48 h PRO 172 N 5.34 0.26 0.00 -1.71 0.11 -1.89 -1.49 132.00 132.62 1y48 h PRO 172 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y48 h PRO 172 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y48 h PRO 172 CO 0.79 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 1y48 n SER 173 N -4.44 0.55 -4.74 -2.05 3.41 -1.26 -4.74 113.62 100.35 1y48 n SER 173 Ca 0.13 0.61 -0.35 0.00 -0.26 0.00 0.00 58.87 58.99 1y48 n SER 173 Cb 0.56 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 1y48 n SER 173 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y48 s VAL 174 N -3.20 4.84 -0.35 -3.33 1.01 -0.56 -4.70 120.40 114.11 1y48 s VAL 174 Ca 0.07 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 1y48 s VAL 174 Cb 0.11 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1y48 s VAL 174 CO 0.43 0.57 1.04 -0.63 0.00 0.00 0.00 175.10 176.51 1y48 s ILE 175 N -0.60 4.49 -0.15 2.22 1.01 -0.34 -4.82 121.20 123.01 1y48 s ILE 175 Ca 0.11 1.52 -0.19 0.00 0.00 0.00 0.00 60.65 62.09 1y48 s ILE 175 Cb -0.12 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 1y48 s ILE 175 CO 0.02 -0.57 0.53 0.00 0.00 0.00 0.00 174.94 174.92 1y48 s ALA 176 N 3.71 3.49 -0.15 9.38 0.00 -1.26 -1.03 121.76 135.91 1y48 s ALA 176 Ca 0.44 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1y48 s ALA 176 Cb -0.11 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1y48 s ALA 176 CO 0.19 -0.22 -0.19 0.08 0.00 0.00 0.00 175.76 175.62 1y48 s VAL 177 N 1.13 2.34 0.50 0.00 1.01 -0.56 -0.96 120.40 123.86 1y48 s VAL 177 Ca 0.27 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.45 1y48 s VAL 177 Cb -0.16 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1y48 s VAL 177 CO 0.11 0.53 0.69 -0.83 0.00 0.00 0.00 175.10 175.60 1y48 s GLY 178 N 0.83 1.83 -0.12 4.51 0.00 -0.35 -0.40 107.32 113.63 1y48 s GLY 178 Ca -0.06 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 42.76 1y48 s GLY 178 CO -0.01 -1.58 -0.15 0.00 0.00 0.00 0.00 173.10 171.36 1y48 s ALA 179 N -2.52 2.57 0.39 3.20 0.00 -1.26 -1.49 121.76 122.65 1y48 s ALA 179 Ca 0.59 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.71 1y48 s ALA 179 Cb -0.08 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1y48 s ALA 179 CO 0.36 0.30 0.14 0.14 0.00 0.00 0.00 175.76 176.69 1y48 s VAL 180 N 0.20 2.43 0.00 0.00 -7.23 -0.54 -0.94 120.40 114.33 1y48 s VAL 180 Ca -0.09 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1y48 s VAL 180 Cb -0.15 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.82 1y48 s VAL 180 CO 0.05 -0.06 0.00 -0.90 -0.31 0.00 0.00 175.10 173.89 1y48 n ASP 181 N -1.16 0.00 0.04 4.85 5.68 -0.16 -0.95 116.55 124.84 1y48 n ASP 181 Ca -0.02 -0.86 0.08 0.00 -0.50 0.00 0.00 54.79 53.49 1y48 n ASP 181 Cb 0.64 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.97 1y48 n ASP 181 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1y48 n SER 182 N -2.59 0.18 -1.25 -1.12 3.41 -1.26 -1.00 113.62 109.99 1y48 n SER 182 Ca 0.00 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1y48 n SER 182 Cb 0.00 -0.58 0.26 0.00 -0.26 0.00 0.00 64.21 63.63 1y48 n SER 182 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y48 n SER 183 N -1.70 3.70 -0.53 4.04 3.41 -1.26 -4.96 113.62 116.31 1y48 n SER 183 Ca 0.03 -2.00 -0.07 0.00 -0.26 0.00 0.00 58.87 56.57 1y48 n SER 183 Cb 0.18 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 1y48 n SER 183 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y48 n ASN 184 N 1.59 -4.03 -4.77 4.04 3.02 -0.17 -5.02 115.26 109.93 1y48 n ASN 184 Ca 0.22 0.17 -0.39 0.00 -0.03 0.00 0.00 54.58 54.55 1y48 n ASN 184 Cb 0.62 -2.14 -0.06 0.00 -0.61 0.00 0.00 39.78 37.59 1y48 n ASN 184 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1y48 s GLN 185 N -2.39 4.34 0.24 3.52 -1.52 -1.26 -4.79 119.66 117.80 1y48 s GLN 185 Ca 0.00 0.80 -0.31 0.00 -1.95 0.00 0.00 55.36 53.90 1y48 s GLN 185 Cb 0.00 -3.33 -0.13 0.00 -0.22 0.00 0.00 33.01 29.33 1y48 s GLN 185 CO 0.00 0.40 1.53 -2.13 -0.25 0.00 0.00 175.29 174.84 1y48 n ARG 186 N 2.57 2.37 -2.06 2.91 0.63 -1.26 -0.99 116.66 120.83 1y48 n ARG 186 Ca -0.07 0.85 -0.39 0.00 -0.92 0.00 0.00 57.85 57.32 1y48 n ARG 186 Cb 0.51 -2.59 -0.00 0.00 0.45 0.00 0.00 32.46 30.83 1y48 n ARG 186 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1y48 s ALA 187 N 0.24 3.17 0.40 5.13 0.00 -0.11 -4.83 121.76 125.75 1y48 s ALA 187 Ca 0.69 1.19 0.10 0.00 0.00 0.00 0.00 51.96 53.94 1y48 s ALA 187 Cb -0.58 -3.48 0.82 0.00 0.00 0.00 0.00 23.12 19.88 1y48 s ALA 187 CO 0.46 -0.85 1.94 0.66 0.00 0.00 0.00 175.76 177.97 1y48 h SER 188 N 2.46 0.24 1.00 0.00 4.64 -1.92 -2.12 113.55 117.84 1y48 h SER 188 Ca -0.50 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1y48 h SER 188 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1y48 h SER 188 CO 0.62 0.36 0.00 2.22 -0.87 0.00 0.00 176.83 179.16 1y48 n PHE 189 N -4.31 0.76 -1.94 4.77 1.16 -1.26 -4.40 117.46 112.23 1y48 n PHE 189 Ca -0.00 0.26 -0.42 0.00 -1.87 0.00 0.00 57.45 55.42 1y48 n PHE 189 Cb 0.24 -0.93 -0.03 0.00 -1.61 0.00 0.00 39.48 37.15 1y48 n PHE 189 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1y48 s SER 190 N -4.20 6.62 0.77 5.98 0.15 -0.80 -0.50 113.70 121.71 1y48 s SER 190 Ca 0.07 2.47 -0.14 0.00 0.70 0.00 0.00 55.95 59.05 1y48 s SER 190 Cb 0.11 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.92 1y48 s SER 190 CO 0.47 -0.88 1.23 -1.20 1.20 0.00 0.00 173.24 174.06 1y48 n SER 191 N 5.57 1.31 -4.31 5.45 7.64 0.05 -3.97 113.62 125.36 1y48 n SER 191 Ca 0.16 0.65 -0.16 0.00 1.01 0.00 0.00 58.87 60.52 1y48 n SER 191 Cb 0.41 -1.52 -0.10 0.00 -1.01 0.00 0.00 64.21 61.98 1y48 n SER 191 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1y48 s VAL 192 N -1.94 1.03 0.00 0.44 -7.23 -1.24 -4.87 120.40 106.59 1y48 s VAL 192 Ca 0.76 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1y48 s VAL 192 Cb -0.31 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1y48 s VAL 192 CO 0.48 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1y48 n GLY 193 N -0.37 3.44 0.24 2.32 0.00 -0.28 0.07 105.19 110.62 1y48 n GLY 193 Ca -0.06 -1.62 0.16 0.00 0.00 0.00 0.00 46.02 44.51 1y48 n GLY 193 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y48 h PRO 194 N 0.00 0.00 0.00 1.61 0.13 -1.88 -2.00 132.00 129.86 1y48 h PRO 194 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1y48 h PRO 194 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1y48 h PRO 194 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 1y48 n GLU 195 N -2.70 0.04 -2.11 0.86 4.71 -1.26 -4.81 120.64 115.37 1y48 n GLU 195 Ca -0.01 0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 1y48 n GLU 195 Cb 0.15 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.06 1y48 n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1y48 s LEU 196 N -2.95 4.34 -0.21 -4.62 2.96 -0.75 -4.44 118.68 113.00 1y48 s LEU 196 Ca 0.15 2.27 -0.17 0.00 -0.22 0.00 0.00 54.13 56.16 1y48 s LEU 196 Cb 0.19 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 1y48 s LEU 196 CO 0.52 -0.78 -0.35 -0.67 -1.32 0.00 0.00 176.35 173.75 1y48 n ASP 197 N 5.33 1.94 -4.17 3.68 2.03 -0.13 -4.30 116.55 120.94 1y48 n ASP 197 Ca 0.14 0.34 -0.11 0.00 0.52 0.00 0.00 54.79 55.68 1y48 n ASP 197 Cb 0.42 -0.77 -0.10 0.00 -0.72 0.00 0.00 41.12 39.96 1y48 n ASP 197 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1y48 s VAL 198 N -2.78 0.03 0.26 5.18 -7.23 -1.04 -0.23 120.40 114.58 1y48 s VAL 198 Ca -0.32 -1.93 0.11 0.00 -1.81 0.00 0.00 61.98 58.04 1y48 s VAL 198 Cb 0.07 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 1y48 s VAL 198 CO 0.44 -0.15 -0.13 -0.04 -0.31 0.00 0.00 175.10 174.91 1y48 s MET 199 N -4.11 1.90 0.19 4.82 -1.94 0.12 -1.21 119.30 119.07 1y48 s MET 199 Ca 0.33 -1.58 -0.15 0.00 -1.71 0.00 0.00 55.69 52.58 1y48 s MET 199 Cb 0.07 -1.95 0.02 0.00 2.01 0.00 0.00 34.83 34.98 1y48 s MET 199 CO 0.08 0.36 0.47 0.00 -0.01 0.00 0.00 175.02 175.93 1y48 s ALA 200 N -2.27 -0.70 0.23 3.03 0.00 -0.56 -2.09 121.76 119.40 1y48 s ALA 200 Ca 0.29 -0.41 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 1y48 s ALA 200 Cb -0.06 0.86 -0.11 0.00 0.00 0.00 0.00 23.12 23.81 1y48 s ALA 200 CO 0.16 -0.78 1.66 -2.14 0.00 0.00 0.00 175.76 174.66 1y48 s PRO 201 N -3.90 4.14 0.00 0.00 0.02 -1.26 -1.47 135.00 132.53 1y48 s PRO 201 Ca 0.12 2.57 0.05 0.00 0.02 0.00 0.00 61.00 63.76 1y48 s PRO 201 Cb -0.00 -3.07 0.09 0.00 0.02 0.00 0.00 34.50 31.54 1y48 s PRO 201 CO -0.01 -0.69 0.92 0.41 -0.33 0.00 0.00 177.00 177.30 1y48 n GLY 202 N 3.33 0.72 3.13 0.52 0.00 -0.12 -3.35 105.19 109.42 1y48 n GLY 202 Ca 0.13 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1y48 n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y48 s VAL 203 N 0.00 1.85 -1.24 1.61 1.01 -1.23 -0.82 120.40 121.58 1y48 s VAL 203 Ca 0.07 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1y48 s VAL 203 Cb 0.08 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1y48 s VAL 203 CO -0.04 0.51 0.76 -0.24 0.00 0.00 0.00 175.10 176.09 1y48 n SER 204 N 4.06 -2.49 -4.53 3.32 2.88 -1.13 -4.81 113.62 110.91 1y48 n SER 204 Ca -0.20 -0.82 -0.43 0.00 -1.33 0.00 0.00 58.87 56.10 1y48 n SER 204 Cb 0.52 -4.17 -0.07 0.00 -0.75 0.00 0.00 64.21 59.74 1y48 n SER 204 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1y48 s ILE 205 N -3.59 4.85 0.12 2.46 -1.09 -0.25 -4.81 121.20 118.90 1y48 s ILE 205 Ca 0.13 0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.49 1y48 s ILE 205 Cb -0.03 -4.16 -0.06 0.00 -1.58 0.00 0.00 42.46 36.63 1y48 s ILE 205 CO 0.81 -0.51 1.01 -1.10 -1.23 0.00 0.00 174.94 173.92 1y48 s GLN 206 N 2.77 4.64 0.34 2.79 -1.52 -1.26 -1.41 119.66 126.02 1y48 s GLN 206 Ca 0.23 1.54 -0.14 0.00 -1.95 0.00 0.00 55.36 55.03 1y48 s GLN 206 Cb -0.14 -3.36 0.06 0.00 -0.22 0.00 0.00 33.01 29.35 1y48 s GLN 206 CO 0.18 0.13 0.76 0.45 -0.25 0.00 0.00 175.29 176.55 1y48 n SER 207 N 2.84 -2.08 -4.76 5.90 2.88 -0.84 -4.85 113.62 112.71 1y48 n SER 207 Ca 0.03 -2.41 -0.41 0.00 -1.33 0.00 0.00 58.87 54.76 1y48 n SER 207 Cb 0.48 3.45 -0.03 0.00 -0.75 0.00 0.00 64.21 67.37 1y48 n SER 207 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1y48 s THR 208 N -2.16 2.98 0.13 2.46 -4.23 -1.26 -1.56 115.64 112.00 1y48 s THR 208 Ca 0.15 0.95 0.07 0.00 -1.18 0.00 0.00 61.69 61.69 1y48 s THR 208 Cb -0.04 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1y48 s THR 208 CO 0.10 0.21 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.46 1y48 s LEU 209 N -1.40 2.37 0.65 4.79 1.43 -0.12 -2.31 118.68 124.09 1y48 s LEU 209 Ca 0.49 -0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1y48 s LEU 209 Cb -0.37 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 1y48 s LEU 209 CO 0.47 -0.04 0.89 -2.65 0.23 0.00 0.00 176.35 175.25 1y48 n PRO 210 N 0.68 0.68 -2.11 1.29 -0.02 -1.26 -1.62 135.00 132.65 1y48 n PRO 210 Ca -0.16 0.28 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1y48 n PRO 210 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1y48 n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y48 n GLY 211 N 1.32 0.34 3.48 -1.23 0.00 -1.26 -3.90 105.19 103.93 1y48 n GLY 211 Ca 0.13 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.20 1y48 n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y48 n ASN 212 N 1.51 -2.11 -4.64 1.61 5.15 -1.21 -5.02 115.26 110.55 1y48 n ASN 212 Ca -0.02 -0.64 -0.29 0.00 -0.60 0.00 0.00 54.58 53.02 1y48 n ASN 212 Cb 0.52 -4.98 -0.10 0.00 -0.53 0.00 0.00 39.78 34.69 1y48 n ASN 212 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1y48 s LYS 213 N -5.49 2.00 0.08 1.20 -0.14 -0.64 -5.01 119.74 111.74 1y48 s LYS 213 Ca 0.03 -2.17 0.01 0.00 -1.36 0.00 0.00 55.97 52.48 1y48 s LYS 213 Cb -0.01 -1.57 -0.04 0.00 -1.68 0.00 0.00 37.83 34.52 1y48 s LYS 213 CO 0.74 -0.13 -0.05 0.71 -0.76 0.00 0.00 175.35 175.86 1y48 s TYR 214 N -2.78 0.72 -0.22 3.18 2.02 -1.26 -0.94 117.35 118.07 1y48 s TYR 214 Ca 0.28 -0.96 -0.35 0.00 -0.37 0.00 0.00 57.07 55.68 1y48 s TYR 214 Cb 0.08 -0.46 0.15 0.00 -0.40 0.00 0.00 41.96 41.33 1y48 s TYR 214 CO 0.15 -0.24 1.25 0.20 -1.57 0.00 0.00 175.55 175.34 1y48 s GLY 215 N -2.93 -0.21 -0.28 0.71 0.00 -0.60 -4.84 107.32 99.16 1y48 s GLY 215 Ca 0.09 1.89 -0.19 0.00 0.00 0.00 0.00 44.72 46.51 1y48 s GLY 215 CO -0.07 0.68 0.56 0.00 0.00 0.00 0.00 173.10 174.27 1y48 s ALA 216 N -2.04 3.56 0.35 3.20 0.00 -1.26 -1.99 121.76 123.58 1y48 s ALA 216 Ca 0.09 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.49 1y48 s ALA 216 Cb -0.01 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1y48 s ALA 216 CO -0.04 -0.90 0.07 0.71 0.00 0.00 0.00 175.76 175.59 1y48 s TYR 217 N 2.43 2.60 0.07 0.00 1.51 -0.50 -4.78 117.35 118.68 1y48 s TYR 217 Ca 0.23 -0.44 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 1y48 s TYR 217 Cb -0.15 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 1y48 s TYR 217 CO 0.10 0.41 -0.17 -0.80 -1.11 0.00 0.00 175.55 173.98 1y48 s ASN 218 N -3.77 2.04 0.00 2.29 0.01 -1.26 -1.09 114.94 113.16 1y48 s ASN 218 Ca 0.36 -0.61 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1y48 s ASN 218 Cb -0.00 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.55 1y48 s ASN 218 CO 0.21 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.42 1y48 n GLY 219 N 1.37 3.51 0.30 0.66 0.00 0.00 -4.78 105.19 106.25 1y48 n GLY 219 Ca -0.20 -1.30 0.19 0.00 0.00 0.00 0.00 46.02 44.71 1y48 n GLY 219 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1y48 h THR 220 N 1.00 0.00 -0.73 2.61 1.35 -1.84 -1.40 112.91 113.89 1y48 h THR 220 Ca 0.00 -0.34 0.16 0.00 -0.55 0.00 0.00 66.41 65.67 1y48 h THR 220 Cb 0.00 1.34 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 1y48 h THR 220 CO 0.00 0.00 0.49 0.28 -0.25 0.00 0.00 175.52 176.04 1y48 h SER 221 N 0.00 0.32 1.29 5.36 0.02 -1.88 -1.84 113.55 116.83 1y48 h SER 221 Ca 0.00 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1y48 h SER 221 Cb 0.34 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1y48 h SER 221 CO 0.00 0.16 -0.74 0.24 -1.14 0.00 0.00 176.83 175.36 1y48 h MET 222 N 0.34 0.00 0.00 3.45 2.07 -1.56 -3.35 114.93 115.88 1y48 h MET 222 Ca 0.36 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.94 1y48 h MET 222 Cb 0.91 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.65 1y48 h MET 222 CO -0.10 0.32 -0.19 0.00 1.07 0.00 0.00 176.91 178.01 1y48 h ALA 223 N 1.60 0.02 -0.58 6.32 0.00 -1.26 -3.36 119.26 122.00 1y48 h ALA 223 Ca -0.05 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.53 1y48 h ALA 223 Cb 1.35 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1y48 h ALA 223 CO 0.04 0.04 -0.15 1.03 0.00 0.00 0.00 179.25 180.21 1y48 h SER 224 N -0.58 -0.56 0.71 0.00 0.87 -1.49 -1.11 113.55 111.38 1y48 h SER 224 Ca -0.02 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1y48 h SER 224 Cb 0.96 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1y48 h SER 224 CO 0.04 -0.20 0.00 1.55 -0.53 0.00 0.00 176.83 177.69 1y48 h PRO 225 N -0.01 0.00 -0.85 2.24 0.13 -1.72 -0.33 132.00 131.47 1y48 h PRO 225 Ca 0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.39 1y48 h PRO 225 Cb 0.43 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 1y48 h PRO 225 CO -0.60 0.00 0.46 0.45 -0.23 0.00 0.00 178.00 178.07 1y48 h HIS 226 N 0.00 1.17 0.05 1.56 3.86 -1.34 0.17 115.15 120.62 1y48 h HIS 226 Ca 0.00 -0.03 -0.28 0.00 -1.16 0.00 0.00 60.37 58.90 1y48 h HIS 226 Cb 0.35 -0.37 0.02 0.00 1.06 0.00 0.00 27.41 28.48 1y48 h HIS 226 CO 0.00 0.81 -1.11 0.28 0.86 0.00 0.00 177.93 178.77 1y48 h VAL 227 N 1.19 1.29 0.05 2.45 2.07 -1.13 0.08 116.25 122.24 1y48 h VAL 227 Ca 0.30 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.49 1y48 h VAL 227 Cb 0.04 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1y48 h VAL 227 CO -0.05 0.71 -0.03 0.00 0.02 0.00 0.00 177.57 178.23 1y48 h ALA 228 N 0.34 -0.07 -0.73 1.67 0.00 -1.01 -0.72 119.26 118.73 1y48 h ALA 228 Ca -0.15 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1y48 h ALA 228 Cb 1.78 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.52 1y48 h ALA 228 CO 0.22 -0.54 0.34 0.78 0.00 0.00 0.00 179.25 180.05 1y48 h GLY 229 N -0.08 1.11 1.01 0.00 0.00 -0.68 -1.82 103.07 102.60 1y48 h GLY 229 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1y48 h GLY 229 CO 0.01 0.00 0.41 0.00 0.00 0.00 0.00 176.54 176.96 1y48 h ALA 230 N 1.48 0.92 -0.89 3.60 0.00 -0.56 -0.26 119.26 123.53 1y48 h ALA 230 Ca 0.38 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1y48 h ALA 230 Cb 0.47 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1y48 h ALA 230 CO -0.32 0.41 0.58 0.00 0.00 0.00 0.00 179.25 179.92 1y48 h ALA 231 N 1.21 1.18 -0.63 0.00 0.00 -0.68 -0.91 119.26 119.43 1y48 h ALA 231 Ca 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1y48 h ALA 231 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1y48 h ALA 231 CO -0.04 0.42 0.11 0.00 0.00 0.00 0.00 179.25 179.74 1y48 h ALA 232 N 1.37 0.84 -0.44 0.00 0.00 -0.56 -0.42 119.26 120.05 1y48 h ALA 232 Ca 0.36 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1y48 h ALA 232 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1y48 h ALA 232 CO -0.12 0.59 0.29 -0.07 0.00 0.00 0.00 179.25 179.94 1y48 h LEU 233 N 0.96 0.50 -0.30 0.00 3.38 -0.44 -1.22 115.31 118.19 1y48 h LEU 233 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1y48 h LEU 233 Cb 0.42 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1y48 h LEU 233 CO 0.01 0.36 0.16 0.40 0.09 0.00 0.00 178.44 179.46 1y48 h ILE 234 N 0.59 1.14 -0.61 1.22 2.04 -1.01 -1.82 117.51 119.06 1y48 h ILE 234 Ca 0.16 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1y48 h ILE 234 Cb -0.07 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1y48 h ILE 234 CO -0.04 0.14 0.39 -0.07 0.00 0.00 0.00 178.15 178.57 1y48 h LEU 235 N 0.37 0.72 -1.25 1.44 3.38 -0.98 0.18 115.31 119.17 1y48 h LEU 235 Ca 0.11 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1y48 h LEU 235 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1y48 h LEU 235 CO -0.02 0.54 -0.37 0.77 0.09 0.00 0.00 178.44 179.45 1y48 h SER 236 N 0.84 0.00 0.79 -0.43 4.64 -0.81 -0.85 113.55 117.72 1y48 h SER 236 Ca 0.22 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.30 1y48 h SER 236 Cb -0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 1y48 h SER 236 CO -0.05 0.37 -1.29 0.50 -0.87 0.00 0.00 176.83 175.49 1y48 h LYS 237 N 0.00 0.00 -2.19 4.77 3.64 -0.76 -3.41 116.57 118.63 1y48 h LYS 237 Ca -0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.79 1y48 h LYS 237 Cb 0.68 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.10 1y48 h LYS 237 CO 0.05 0.76 -0.88 0.72 -2.27 0.00 0.00 179.45 177.84 1y48 n HIS 238 N -3.21 1.23 0.22 1.91 8.25 0.57 -4.98 115.22 119.22 1y48 n HIS 238 Ca -0.07 -3.80 0.11 0.00 -0.26 0.00 0.00 57.72 53.70 1y48 n HIS 238 Cb 0.98 -0.38 0.52 0.00 1.12 0.00 0.00 29.99 32.24 1y48 n HIS 238 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1y48 n PRO 239 N 1.41 0.14 -0.69 -0.41 -0.02 -0.35 -1.31 135.00 133.78 1y48 n PRO 239 Ca 0.25 0.57 -0.01 0.00 -2.02 0.00 0.00 63.50 62.29 1y48 n PRO 239 Cb 0.47 -1.90 0.21 0.00 -0.02 0.00 0.00 33.50 32.26 1y48 n PRO 239 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1y48 n ASN 240 N -2.20 2.70 -4.77 2.55 0.23 -1.26 -4.93 115.26 107.58 1y48 n ASN 240 Ca -0.00 -3.60 -0.39 0.00 -0.53 0.00 0.00 54.58 50.05 1y48 n ASN 240 Cb 0.09 -0.60 -0.06 0.00 -2.08 0.00 0.00 39.78 37.13 1y48 n ASN 240 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 1y48 s TRP 241 N -3.15 3.88 0.78 -2.53 0.52 -0.43 -5.07 118.94 112.94 1y48 s TRP 241 Ca 0.43 1.61 -0.12 0.00 0.02 0.00 0.00 56.10 58.04 1y48 s TRP 241 Cb 0.39 -2.77 0.06 0.00 -1.15 0.00 0.00 33.47 29.99 1y48 s TRP 241 CO 0.01 0.48 1.11 0.95 0.02 0.00 0.00 176.95 179.53 1y48 s THR 242 N -0.99 2.95 0.27 2.01 -4.23 -1.26 -4.83 115.64 109.55 1y48 s THR 242 Ca 0.36 0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1y48 s THR 242 Cb -0.23 -3.19 0.25 0.00 1.34 0.00 0.00 72.50 70.67 1y48 s THR 242 CO 0.26 -0.40 1.81 -0.55 -0.54 0.00 0.00 174.62 175.19 1y48 h ASN 243 N -0.96 0.75 -0.64 3.99 -1.07 -1.91 -0.18 115.58 115.56 1y48 h ASN 243 Ca -0.46 0.06 0.13 0.00 0.07 0.00 0.00 56.30 56.10 1y48 h ASN 243 Cb 1.28 -0.08 -0.11 0.00 -2.07 0.00 0.00 38.32 37.34 1y48 h ASN 243 CO 0.62 0.39 -0.01 0.74 0.07 0.00 0.00 177.43 179.25 1y48 h THR 244 N 0.84 0.46 -0.08 6.14 2.02 -1.92 0.10 112.91 120.46 1y48 h THR 244 Ca 0.46 -0.04 -0.24 0.00 0.77 0.00 0.00 66.41 67.36 1y48 h THR 244 Cb 0.49 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1y48 h THR 244 CO -0.28 0.02 -0.90 1.56 0.37 0.00 0.00 175.52 176.28 1y48 h GLN 245 N 0.11 0.74 -0.28 6.66 4.20 -1.60 -1.03 115.11 123.91 1y48 h GLN 245 Ca 0.33 -0.69 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 1y48 h GLN 245 Cb 0.55 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1y48 h GLN 245 CO -0.56 1.28 0.15 0.28 -0.67 0.00 0.00 178.83 179.32 1y48 h VAL 246 N 0.47 1.12 -0.15 -0.54 2.07 -0.70 0.16 116.25 118.68 1y48 h VAL 246 Ca -0.09 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1y48 h VAL 246 Cb 1.54 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1y48 h VAL 246 CO 0.18 0.12 0.03 -0.09 0.02 0.00 0.00 177.57 177.83 1y48 h ARG 247 N 0.34 0.09 -0.23 1.57 2.43 -0.78 -2.04 114.38 115.76 1y48 h ARG 247 Ca 0.10 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1y48 h ARG 247 Cb 0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1y48 h ARG 247 CO -0.02 0.06 -0.14 0.66 -1.51 0.00 0.00 179.97 179.02 1y48 h SER 248 N 0.09 0.37 -0.67 -3.80 4.64 -1.02 -1.25 113.55 111.90 1y48 h SER 248 Ca 0.07 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 1y48 h SER 248 Cb 0.06 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1y48 h SER 248 CO -0.09 0.54 0.15 0.77 -0.87 0.00 0.00 176.83 177.33 1y48 h SER 249 N 0.36 1.04 -0.23 4.97 4.64 -0.29 0.86 113.55 124.89 1y48 h SER 249 Ca 0.07 -0.22 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 1y48 h SER 249 Cb 0.47 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1y48 h SER 249 CO 0.03 1.00 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.58 1y48 h LEU 250 N 1.03 0.70 -1.07 5.97 3.38 -1.12 -3.14 115.31 121.07 1y48 h LEU 250 Ca 0.21 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1y48 h LEU 250 Cb 0.38 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1y48 h LEU 250 CO 0.00 1.08 0.53 -0.33 0.09 0.00 0.00 178.44 179.81 1y48 h GLU 251 N 0.34 1.16 -0.01 1.13 5.08 -0.96 -3.19 114.58 118.14 1y48 h GLU 251 Ca 0.02 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1y48 h GLU 251 Cb 0.92 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1y48 h GLU 251 CO 0.08 0.81 -0.11 0.09 -1.00 0.00 0.00 179.01 178.87 1y48 n ASN 252 N -4.37 0.65 -0.03 1.42 5.03 0.27 -3.77 115.26 114.46 1y48 n ASN 252 Ca 0.10 -0.77 0.01 0.00 0.87 0.00 0.00 54.58 54.79 1y48 n ASN 252 Cb 0.06 -0.02 0.02 0.00 -1.02 0.00 0.00 39.78 38.81 1y48 n ASN 252 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1y48 n THR 253 N -0.77 0.81 -0.91 3.41 -2.24 -1.19 -3.12 114.28 110.27 1y48 n THR 253 Ca 0.15 -0.85 -0.32 0.00 -2.27 0.00 0.00 64.05 60.76 1y48 n THR 253 Cb 0.29 0.54 0.15 0.00 -2.10 0.00 0.00 70.33 69.20 1y48 n THR 253 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1y48 s THR 254 N -0.93 2.08 -0.35 4.28 -4.23 -1.22 -4.23 115.64 111.05 1y48 s THR 254 Ca 0.04 0.03 -0.25 0.00 -1.18 0.00 0.00 61.69 60.33 1y48 s THR 254 Cb 0.03 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.64 1y48 s THR 254 CO 0.00 -0.03 0.86 -0.89 -0.54 0.00 0.00 174.62 174.02 1y48 s THR 255 N -2.42 4.68 0.31 3.99 2.01 0.19 -2.94 115.64 121.47 1y48 s THR 255 Ca 0.70 1.14 -0.29 0.00 0.31 0.00 0.00 61.69 63.54 1y48 s THR 255 Cb -0.25 -4.25 -0.10 0.00 0.01 0.00 0.00 72.50 67.90 1y48 s THR 255 CO 0.54 -0.42 1.34 -0.54 -0.69 0.00 0.00 174.62 174.85 1y48 s LYS 256 N 3.23 4.33 0.00 4.92 -0.14 -1.26 -1.02 119.74 129.81 1y48 s LYS 256 Ca 0.35 2.24 0.00 0.00 -1.36 0.00 0.00 55.97 57.20 1y48 s LYS 256 Cb -0.13 -3.08 0.00 0.00 -1.68 0.00 0.00 37.83 32.94 1y48 s LYS 256 CO 0.16 -0.24 0.00 1.28 -0.76 0.00 0.00 175.35 175.79 1y48 n LEU 257 N 1.11 0.00 0.00 3.17 4.77 -1.26 -4.89 117.00 119.90 1y48 n LEU 257 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1y48 n LEU 257 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1y48 n LEU 257 CO 0.60 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1y48 n GLY 258 N 5.00 0.37 3.69 -0.72 0.00 -1.26 -5.00 105.19 107.27 1y48 n GLY 258 Ca 0.00 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 1y48 n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y48 n ASP 259 N 0.00 2.57 0.29 1.61 2.03 -1.26 -4.67 116.55 117.12 1y48 n ASP 259 Ca 0.00 1.19 0.17 0.00 0.52 0.00 0.00 54.79 56.67 1y48 n ASP 259 Cb 0.00 -1.46 0.83 0.00 -0.72 0.00 0.00 41.12 39.76 1y48 n ASP 259 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1y48 h SER 260 N 2.43 0.00 -0.49 1.67 4.64 -1.92 -0.54 113.55 119.35 1y48 h SER 260 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1y48 h SER 260 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1y48 h SER 260 CO 0.62 0.05 0.26 0.15 -0.87 0.00 0.00 176.83 177.04 1y48 h PHE 261 N 0.00 0.71 0.00 4.77 3.57 -1.87 0.17 116.94 124.29 1y48 h PHE 261 Ca -0.00 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.27 1y48 h PHE 261 Cb 0.33 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1y48 h PHE 261 CO 0.00 0.51 -2.18 0.66 -2.23 0.00 0.00 178.31 175.07 1y48 n TYR 262 N -4.39 0.05 -0.32 0.41 4.01 -0.34 -1.12 117.16 115.47 1y48 n TYR 262 Ca 0.04 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1y48 n TYR 262 Cb 0.11 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.34 1y48 n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1y48 n TYR 263 N -2.56 0.00 -2.40 -0.72 4.01 -0.46 -4.94 117.16 110.08 1y48 n TYR 263 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1y48 n TYR 263 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 1y48 n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y48 n GLY 264 N 0.03 2.31 0.00 2.72 0.00 0.60 -1.09 105.19 109.76 1y48 n GLY 264 Ca 0.00 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1y48 n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y48 n LYS 265 N 14.00 0.47 0.00 1.61 5.02 0.68 -4.19 118.16 135.76 1y48 n LYS 265 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1y48 n LYS 265 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1y48 n LYS 265 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y48 n GLY 266 N 0.92 -1.06 3.72 0.72 0.00 -0.25 -4.01 105.19 105.24 1y48 n GLY 266 Ca 0.14 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1y48 n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y48 s LEU 267 N 0.00 4.41 0.59 0.99 2.96 -0.18 -0.70 118.68 126.74 1y48 s LEU 267 Ca 0.00 1.59 -0.19 0.00 -0.22 0.00 0.00 54.13 55.30 1y48 s LEU 267 Cb 0.00 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1y48 s LEU 267 CO 0.00 -0.14 1.26 0.27 -1.32 0.00 0.00 176.35 176.41 1y48 s ILE 268 N 0.54 2.40 -0.33 6.68 -4.36 -0.89 -0.64 121.20 124.61 1y48 s ILE 268 Ca 0.46 0.26 -0.01 0.00 -0.26 0.00 0.00 60.65 61.10 1y48 s ILE 268 Cb -0.21 -3.11 0.11 0.00 1.25 0.00 0.00 42.46 40.50 1y48 s ILE 268 CO 0.26 -0.04 0.14 0.21 0.24 0.00 0.00 174.94 175.75 1y48 s ASN 269 N -1.39 3.69 0.32 4.36 3.84 -1.26 -4.54 114.94 119.95 1y48 s ASN 269 Ca 0.77 -1.77 0.13 0.00 0.21 0.00 0.00 52.86 52.20 1y48 s ASN 269 Cb -0.34 -0.68 0.51 0.00 -0.55 0.00 0.00 41.25 40.19 1y48 s ASN 269 CO 0.38 -0.39 1.68 1.62 -2.79 0.00 0.00 177.10 177.60 1y48 h VAL 270 N 6.07 1.25 -0.01 -5.21 3.04 -1.24 -1.62 116.25 118.52 1y48 h VAL 270 Ca -0.11 -1.81 0.03 0.00 -1.01 0.00 0.00 66.70 63.80 1y48 h VAL 270 Cb 0.99 2.01 -0.04 0.00 -2.01 0.00 0.00 31.29 32.24 1y48 h VAL 270 CO 0.43 0.50 -0.25 -0.61 -1.01 0.00 0.00 177.57 176.63 1y48 h GLN 271 N 0.00 -0.37 -0.60 4.17 4.15 -1.73 -1.20 115.11 119.53 1y48 h GLN 271 Ca -0.01 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1y48 h GLN 271 Cb 0.97 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 1y48 h GLN 271 CO 0.07 -0.24 0.11 0.00 -1.93 0.00 0.00 178.83 176.84 1y48 h ALA 272 N 0.47 0.79 -0.89 3.38 0.00 -1.87 -3.04 119.26 118.09 1y48 h ALA 272 Ca 0.07 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1y48 h ALA 272 Cb 0.47 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1y48 h ALA 272 CO -0.23 0.53 0.58 0.00 0.00 0.00 0.00 179.25 180.13 1y48 h ALA 273 N 1.02 1.54 -0.14 0.00 0.00 -1.11 -2.42 119.26 118.15 1y48 h ALA 273 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1y48 h ALA 273 Cb 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1y48 h ALA 273 CO 0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1y48 n ALA 274 N -2.40 2.53 -1.90 0.00 0.00 -0.47 -4.79 120.51 113.49 1y48 n ALA 274 Ca 0.14 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 1y48 n ALA 274 Cb 0.21 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.58 1y48 n ALA 274 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y48 s GLN 275 N -1.83 2.99 0.09 0.00 -0.21 -0.91 -5.00 119.66 114.79 1y48 s GLN 275 Ca 0.32 0.47 -0.26 0.00 0.02 0.00 0.00 55.36 55.91 1y48 s GLN 275 Cb 0.17 -2.05 -0.14 0.00 1.00 0.00 0.00 33.01 31.99 1y48 s GLN 275 CO 0.26 -0.93 1.69 0.45 -2.12 0.00 0.00 175.29 174.64 1y48 h HIS 276 N -0.56 -0.36 -3.26 0.91 3.86 -1.88 -3.43 115.15 110.44 1y48 h HIS 276 Ca -0.45 -0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.13 1y48 h HIS 276 Cb 1.24 0.13 -0.16 0.00 1.06 0.00 0.00 27.41 29.68 1y48 h HIS 276 CO 0.53 -0.21 -0.59 -1.01 0.86 0.00 0.00 177.93 177.51 1y48 s HIS 277 N -6.13 3.21 -0.09 2.45 3.76 -1.26 -5.09 115.29 112.14 1y48 s HIS 277 Ca -0.15 0.04 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1y48 s HIS 277 Cb 0.06 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 1y48 s HIS 277 CO 0.65 0.19 -0.11 -1.01 -0.85 0.00 0.00 174.74 173.61 1y48 s HIS 278 N 0.12 2.83 0.18 1.40 0.09 -1.26 -4.97 115.29 113.67 1y48 s HIS 278 Ca 0.04 -0.25 -0.19 0.00 -0.00 0.00 0.00 55.06 54.66 1y48 s HIS 278 Cb -0.13 -1.74 0.04 0.00 -0.00 0.00 0.00 32.58 30.76 1y48 s HIS 278 CO 0.01 0.10 0.53 -3.38 -0.00 0.00 0.00 174.74 172.01 1y48 s HIS 279 N -0.36 -0.27 0.44 1.40 -3.43 -1.24 -4.96 115.29 106.88 1y48 s HIS 279 Ca 0.04 -0.04 -0.22 0.00 -0.80 0.00 0.00 55.06 54.04 1y48 s HIS 279 Cb -0.12 0.44 -0.09 0.00 -1.43 0.00 0.00 32.58 31.37 1y48 s HIS 279 CO 0.02 -0.87 1.04 -1.01 -2.00 0.00 0.00 174.74 171.92 1y48 s HIS 280 N -3.83 3.13 -1.53 0.38 0.09 -1.18 -4.37 115.29 107.99 1y48 s HIS 280 Ca 0.06 1.61 0.12 0.00 -0.00 0.00 0.00 55.06 56.85 1y48 s HIS 280 Cb -0.01 -3.09 0.10 0.00 -0.00 0.00 0.00 32.58 29.58 1y48 s HIS 280 CO -0.07 -0.72 0.89 0.72 -0.00 0.00 0.00 174.74 175.56