#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y33 s GLN 2 N 0.00 4.12 0.04 0.00 0.74 -1.11 -4.06 119.66 119.38 1y33 s GLN 2 Ca 0.00 0.87 0.07 0.00 0.05 0.00 0.00 55.36 56.35 1y33 s GLN 2 Cb 0.00 -2.36 -0.03 0.00 1.10 0.00 0.00 33.01 31.72 1y33 s GLN 2 CO 0.00 0.10 -0.19 -1.12 -0.55 0.00 0.00 175.29 173.53 1y33 s SER 3 N -2.19 3.73 -0.38 6.67 0.01 0.16 -4.97 113.70 116.72 1y33 s SER 3 Ca 0.57 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 57.27 1y33 s SER 3 Cb -0.10 -0.58 0.03 0.00 0.21 0.00 0.00 66.02 65.58 1y33 s SER 3 CO 0.16 0.26 0.22 -0.69 0.41 0.00 0.00 173.24 173.60 1y33 s VAL 4 N -0.90 4.64 0.61 3.43 1.01 -1.26 -2.15 120.40 125.78 1y33 s VAL 4 Ca 0.14 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1y33 s VAL 4 Cb -0.10 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1y33 s VAL 4 CO 0.05 -0.27 1.17 -2.65 0.00 0.00 0.00 175.10 173.40 1y33 n PRO 5 N 5.02 1.11 0.00 2.72 -0.02 -1.26 -4.85 135.00 137.72 1y33 n PRO 5 Ca -0.12 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1y33 n PRO 5 Cb 0.46 -2.39 0.53 0.00 -0.02 0.00 0.00 33.50 32.08 1y33 n PRO 5 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1y33 h TYR 6 N 0.65 0.33 -0.19 6.00 -0.00 -1.95 -2.04 116.97 119.77 1y33 h TYR 6 Ca -0.50 0.01 -0.11 0.00 0.00 0.00 0.00 58.73 58.13 1y33 h TYR 6 Cb 1.34 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 37.95 1y33 h TYR 6 CO 0.40 0.17 -0.37 0.78 -0.00 0.00 0.00 178.16 179.15 1y33 h GLY 7 N 0.32 0.45 0.99 0.10 0.00 -1.95 0.13 103.07 103.11 1y33 h GLY 7 Ca 0.20 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1y33 h GLY 7 CO -0.04 0.38 0.25 -2.08 0.00 0.00 0.00 176.54 175.04 1y33 h VAL 8 N 0.35 1.22 -0.51 4.60 2.07 -1.72 -2.29 116.25 119.97 1y33 h VAL 8 Ca 0.04 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1y33 h VAL 8 Cb 0.81 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1y33 h VAL 8 CO 0.07 0.27 -0.07 0.28 0.02 0.00 0.00 177.57 178.13 1y33 h SER 9 N 0.81 0.91 -0.30 0.57 0.02 -1.41 -2.59 113.55 111.56 1y33 h SER 9 Ca 0.20 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1y33 h SER 9 Cb 0.18 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1y33 h SER 9 CO -0.02 1.01 0.04 -0.61 -1.14 0.00 0.00 176.83 176.11 1y33 h GLN 10 N 0.84 0.60 -0.05 3.45 4.15 -0.37 -1.12 115.11 122.60 1y33 h GLN 10 Ca 0.14 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1y33 h GLN 10 Cb 0.59 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1y33 h GLN 10 CO 0.04 0.60 0.00 0.44 -1.93 0.00 0.00 178.83 177.97 1y33 n ILE 11 N -4.29 0.06 -2.09 2.39 -5.35 -0.90 -4.92 119.36 104.27 1y33 n ILE 11 Ca 0.02 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 1y33 n ILE 11 Cb 0.23 -0.06 -0.01 0.00 -1.74 0.00 0.00 39.64 38.06 1y33 n ILE 11 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1y33 n LYS 12 N -0.41 -0.96 -0.27 6.28 5.02 -0.43 -1.05 118.16 126.33 1y33 n LYS 12 Ca 0.17 0.65 0.05 0.00 -2.02 0.00 0.00 58.31 57.16 1y33 n LYS 12 Cb 0.17 -4.81 0.27 0.00 -0.02 0.00 0.00 35.03 30.64 1y33 n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y33 h ALA 13 N 0.49 1.57 -0.12 7.82 0.00 -1.67 -2.61 119.26 124.73 1y33 h ALA 13 Ca -0.29 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1y33 h ALA 13 Cb 1.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1y33 h ALA 13 CO 0.35 0.29 0.11 -1.35 0.00 0.00 0.00 179.25 178.65 1y33 h PRO 14 N 0.95 0.00 -0.55 0.00 0.11 -1.88 -0.97 132.00 129.66 1y33 h PRO 14 Ca 0.38 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.44 1y33 h PRO 14 Cb 0.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1y33 h PRO 14 CO -0.14 0.00 0.16 0.00 -0.21 0.00 0.00 178.00 177.81 1y33 h ALA 15 N 1.90 1.26 -0.21 -0.75 0.00 -1.86 0.17 119.26 119.77 1y33 h ALA 15 Ca 0.06 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1y33 h ALA 15 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1y33 h ALA 15 CO -0.00 0.52 -0.39 -0.07 0.00 0.00 0.00 179.25 179.31 1y33 h LEU 16 N 0.80 0.71 -0.76 0.00 -0.00 -1.31 -2.83 115.31 111.93 1y33 h LEU 16 Ca 0.18 -0.54 0.05 0.00 -0.00 0.00 0.00 57.88 57.57 1y33 h LEU 16 Cb 0.25 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 40.65 1y33 h LEU 16 CO -0.01 1.12 0.46 0.45 -0.00 0.00 0.00 178.44 180.46 1y33 h HIS 17 N 0.33 0.85 0.00 1.13 3.86 -0.95 -1.26 115.15 119.12 1y33 h HIS 17 Ca 0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1y33 h HIS 17 Cb 0.99 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1y33 h HIS 17 CO 0.09 0.45 -0.27 0.66 0.86 0.00 0.00 177.93 179.71 1y33 h SER 18 N 0.86 0.00 0.88 2.45 4.64 -0.95 -1.20 113.55 120.24 1y33 h SER 18 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1y33 h SER 18 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1y33 h SER 18 CO -0.15 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 1y33 n GLN 19 N -4.01 0.10 0.00 4.77 6.02 -0.68 -4.90 117.38 118.68 1y33 n GLN 19 Ca -0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1y33 n GLN 19 Cb 0.34 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1y33 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y33 n GLY 20 N 0.65 1.11 3.31 1.08 0.00 -0.45 -5.10 105.19 105.79 1y33 n GLY 20 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1y33 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y33 s TYR 21 N -2.00 2.78 0.00 1.61 2.02 -0.56 -4.98 117.35 116.22 1y33 s TYR 21 Ca 0.00 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 55.84 1y33 s TYR 21 Cb 0.00 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1y33 s TYR 21 CO 0.00 -0.35 0.77 0.25 -1.57 0.00 0.00 175.55 174.64 1y33 n THR 22 N 3.81 0.00 -0.64 -0.71 -2.24 -1.26 -3.08 114.28 110.15 1y33 n THR 22 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1y33 n THR 22 Cb 0.52 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1y33 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y33 n GLY 23 N 0.00 0.63 3.66 3.38 0.00 -1.26 -1.01 105.19 110.59 1y33 n GLY 23 Ca 0.00 -0.40 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 1y33 n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y33 n SER 24 N 0.72 2.66 0.00 1.61 2.88 -1.26 -1.78 113.62 118.46 1y33 n SER 24 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1y33 n SER 24 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 1y33 n SER 24 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1y33 n ASN 25 N 2.52 -2.22 -4.73 -3.46 3.02 -1.26 -4.74 115.26 104.40 1y33 n ASN 25 Ca 0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.32 1y33 n ASN 25 Cb 0.29 -1.25 -0.07 0.00 -0.61 0.00 0.00 39.78 38.15 1y33 n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y33 s VAL 26 N -2.24 5.27 -0.30 2.41 1.01 -0.74 -4.90 120.40 120.93 1y33 s VAL 26 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 1y33 s VAL 26 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1y33 s VAL 26 CO 0.00 0.37 0.35 -0.54 0.00 0.00 0.00 175.10 175.28 1y33 s LYS 27 N 0.52 3.85 -0.17 2.72 1.02 -1.26 -0.39 119.74 126.03 1y33 s LYS 27 Ca 0.19 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.03 1y33 s LYS 27 Cb -0.14 -3.71 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 1y33 s LYS 27 CO 0.06 -0.36 -0.19 0.08 -0.92 0.00 0.00 175.35 174.02 1y33 s VAL 28 N 2.03 2.18 -0.27 3.17 1.01 0.03 -0.53 120.40 128.02 1y33 s VAL 28 Ca 0.13 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1y33 s VAL 28 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1y33 s VAL 28 CO 0.11 0.53 0.44 0.00 0.00 0.00 0.00 175.10 176.18 1y33 s ALA 29 N 1.18 3.58 -0.55 5.51 0.00 -0.07 -0.51 121.76 130.90 1y33 s ALA 29 Ca 0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 1y33 s ALA 29 Cb -0.14 -2.80 0.08 0.00 0.00 0.00 0.00 23.12 20.26 1y33 s ALA 29 CO -0.09 -0.70 0.67 0.08 0.00 0.00 0.00 175.76 175.72 1y33 s VAL 30 N 2.19 4.82 -0.46 0.00 1.01 -0.29 -1.09 120.40 126.58 1y33 s VAL 30 Ca 0.18 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1y33 s VAL 30 Cb -0.16 -4.39 0.04 0.00 0.00 0.00 0.00 36.38 31.87 1y33 s VAL 30 CO 0.10 -0.96 0.54 -0.63 0.00 0.00 0.00 175.10 174.14 1y33 s ILE 31 N 2.73 4.97 0.00 2.22 1.01 -0.57 -1.68 121.20 129.86 1y33 s ILE 31 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1y33 s ILE 31 Cb -0.21 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1y33 s ILE 31 CO 0.10 -0.61 0.00 -0.67 0.00 0.00 0.00 174.94 173.76 1y33 n ASP 32 N 5.91 0.00 -0.97 3.58 -0.08 -0.51 -4.27 116.55 120.21 1y33 n ASP 32 Ca -0.06 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.27 1y33 n ASP 32 Cb 0.46 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.12 1y33 n ASP 32 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1y33 n SER 33 N 0.00 2.77 0.00 1.67 3.41 -1.26 -0.09 113.62 120.12 1y33 n SER 33 Ca 0.00 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1y33 n SER 33 Cb 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1y33 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y33 n GLY 34 N 0.75 0.83 2.76 5.00 0.00 -1.26 -4.47 105.19 108.80 1y33 n GLY 34 Ca 0.14 -2.14 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 1y33 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y33 s ILE 35 N -1.26 -0.04 -0.60 -0.61 1.01 -0.69 -3.40 121.20 115.61 1y33 s ILE 35 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.61 1y33 s ILE 35 Cb 0.00 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.34 1y33 s ILE 35 CO 0.00 0.11 1.77 -0.62 0.00 0.00 0.00 174.94 176.19 1y33 s ASP 36 N 1.20 5.46 0.23 3.58 2.15 -1.26 -4.04 116.67 123.99 1y33 s ASP 36 Ca -0.07 0.32 0.24 0.00 0.43 0.00 0.00 52.55 53.47 1y33 s ASP 36 Cb -0.13 -2.53 0.93 0.00 -0.30 0.00 0.00 42.92 40.88 1y33 s ASP 36 CO -0.03 -2.23 1.72 -1.54 -0.17 0.00 0.00 175.17 172.93 1y33 n SER 37 N 12.02 0.67 0.00 -0.34 3.41 -1.18 -2.30 113.62 125.89 1y33 n SER 37 Ca 0.18 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.55 1y33 n SER 37 Cb 0.51 -0.78 0.57 0.00 -0.26 0.00 0.00 64.21 64.25 1y33 n SER 37 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1y33 n SER 38 N -2.20 0.00 -4.72 4.04 7.64 -1.26 -4.76 113.62 112.37 1y33 n SER 38 Ca 0.03 0.43 -0.42 0.00 1.01 0.00 0.00 58.87 59.93 1y33 n SER 38 Cb 0.28 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1y33 n SER 38 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1y33 s HIS 39 N -2.95 3.14 -0.69 1.43 2.46 -0.97 -4.88 115.29 112.83 1y33 s HIS 39 Ca 0.14 0.76 0.19 0.00 0.47 0.00 0.00 55.06 56.62 1y33 s HIS 39 Cb 0.17 -3.83 0.82 0.00 -0.13 0.00 0.00 32.58 29.61 1y33 s HIS 39 CO 0.47 -3.00 1.60 -0.35 -2.47 0.00 0.00 174.74 170.99 1y33 n PRO 40 N 3.95 0.11 -0.59 2.88 -0.04 -1.26 -2.10 135.00 137.96 1y33 n PRO 40 Ca 0.13 0.36 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1y33 n PRO 40 Cb 0.40 -1.72 0.34 0.00 -0.04 0.00 0.00 33.50 32.48 1y33 n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1y33 n ASP 41 N -1.93 4.64 -4.15 3.54 2.03 -1.26 -4.92 116.55 114.49 1y33 n ASP 41 Ca 0.03 -2.49 -0.19 0.00 0.52 0.00 0.00 54.79 52.65 1y33 n ASP 41 Cb 0.20 -0.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.91 1y33 n ASP 41 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1y33 s LEU 42 N -1.93 2.23 -0.19 -2.67 1.43 -0.89 -0.87 118.68 115.80 1y33 s LEU 42 Ca 0.49 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1y33 s LEU 42 Cb 0.32 -0.53 0.04 0.00 0.03 0.00 0.00 46.19 46.05 1y33 s LEU 42 CO 0.22 -0.04 -0.10 -0.75 0.23 0.00 0.00 176.35 175.91 1y33 s LYS 43 N -1.48 1.98 -0.22 1.70 2.20 -1.26 -4.75 119.74 117.90 1y33 s LYS 43 Ca -0.01 -0.79 -0.10 0.00 -0.36 0.00 0.00 55.97 54.71 1y33 s LYS 43 Cb -0.09 -2.35 -0.05 0.00 -1.51 0.00 0.00 37.83 33.83 1y33 s LYS 43 CO 0.02 -0.42 0.15 0.08 -0.36 0.00 0.00 175.35 174.82 1y33 s VAL 44 N 1.43 5.38 -0.20 4.02 1.01 -1.26 -4.29 120.40 126.49 1y33 s VAL 44 Ca -0.01 0.20 0.20 0.00 0.00 0.00 0.00 61.98 62.37 1y33 s VAL 44 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1y33 s VAL 44 CO -0.08 0.39 0.99 0.00 0.00 0.00 0.00 175.10 176.39 1y33 h ALA 45 N 7.12 0.57 0.00 5.51 0.00 -0.76 -3.48 119.26 128.21 1y33 h ALA 45 Ca -0.39 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1y33 h ALA 45 Cb 1.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y33 h ALA 45 CO 0.71 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.69 1y33 n GLY 46 N 1.25 -1.16 0.00 0.00 0.00 -1.21 -5.02 105.19 99.05 1y33 n GLY 46 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1y33 n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y33 n GLY 47 N 0.00 -0.40 3.53 -0.02 0.00 -1.26 -1.20 105.19 105.84 1y33 n GLY 47 Ca 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1y33 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y33 s ALA 48 N -1.11 -1.84 -0.12 4.61 0.00 -0.58 -4.95 121.76 117.78 1y33 s ALA 48 Ca 0.00 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 1y33 s ALA 48 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 1y33 s ALA 48 CO 0.00 -0.44 -0.06 0.45 0.00 0.00 0.00 175.76 175.71 1y33 s SER 49 N -1.54 4.68 0.00 0.00 0.15 -1.26 -1.50 113.70 114.22 1y33 s SER 49 Ca -0.03 -0.10 0.22 0.00 0.70 0.00 0.00 55.95 56.75 1y33 s SER 49 Cb -0.00 -1.52 0.36 0.00 -1.71 0.00 0.00 66.02 63.14 1y33 s SER 49 CO 0.01 0.25 1.33 0.23 1.20 0.00 0.00 173.24 176.26 1y33 n MET 50 N 2.98 2.36 -3.07 5.44 2.81 0.54 -4.92 117.12 123.26 1y33 n MET 50 Ca -0.18 -2.15 -0.42 0.00 -1.81 0.00 0.00 57.70 53.14 1y33 n MET 50 Cb 0.53 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.50 1y33 n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1y33 s VAL 51 N -1.51 4.82 0.27 2.03 1.01 -1.24 -4.78 120.40 121.00 1y33 s VAL 51 Ca 0.34 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1y33 s VAL 51 Cb 0.21 -4.16 0.25 0.00 0.00 0.00 0.00 36.38 32.68 1y33 s VAL 51 CO 0.29 -0.46 1.78 -0.65 0.00 0.00 0.00 175.10 176.06 1y33 h PRO 52 N 8.64 0.68 -0.49 2.72 0.11 -1.97 -2.01 132.00 139.69 1y33 h PRO 52 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1y33 h PRO 52 Cb 1.10 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1y33 h PRO 52 CO 0.88 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.99 1y33 n SER 53 N -4.81 3.44 -3.52 -2.05 3.41 -1.26 -4.60 113.62 104.24 1y33 n SER 53 Ca 0.18 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.53 1y33 n SER 53 Cb 0.44 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.96 1y33 n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1y33 s GLU 54 N -1.36 1.14 0.00 4.33 2.02 -0.75 -5.00 118.70 119.08 1y33 s GLU 54 Ca 0.41 -2.19 0.28 0.00 0.02 0.00 0.00 54.97 53.50 1y33 s GLU 54 Cb 0.23 -1.81 1.16 0.00 0.10 0.00 0.00 34.13 33.80 1y33 s GLU 54 CO 0.31 -1.32 1.82 0.25 0.02 0.00 0.00 175.26 176.34 1y33 n THR 55 N 2.95 0.00 -3.46 3.63 -2.24 -1.26 -4.44 114.28 109.46 1y33 n THR 55 Ca 0.24 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.52 1y33 n THR 55 Cb 0.43 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.51 1y33 n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y33 s ASN 56 N -2.52 6.06 0.00 3.42 3.84 -1.26 -4.45 114.94 120.02 1y33 s ASN 56 Ca 0.27 -1.09 0.20 0.00 0.21 0.00 0.00 52.86 52.45 1y33 s ASN 56 Cb 0.20 -2.14 0.88 0.00 -0.55 0.00 0.00 41.25 39.64 1y33 s ASN 56 CO 0.49 -0.52 1.65 -0.81 -2.79 0.00 0.00 177.10 175.13 1y33 n PRO 57 N 5.14 0.02 -0.28 0.43 -0.04 -1.26 -3.03 135.00 135.98 1y33 n PRO 57 Ca -0.12 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1y33 n PRO 57 Cb 0.45 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.69 1y33 n PRO 57 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1y33 n PHE 58 N -1.49 0.74 -4.05 0.54 3.72 -1.26 -1.71 117.46 113.95 1y33 n PHE 58 Ca 0.05 -0.37 -0.34 0.00 -0.05 0.00 0.00 57.45 56.75 1y33 n PHE 58 Cb 0.23 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.62 1y33 n PHE 58 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1y33 s GLN 59 N -1.26 3.08 -0.52 -1.08 2.00 -1.17 -3.12 119.66 117.59 1y33 s GLN 59 Ca 0.42 -0.79 -0.01 0.00 -2.00 0.00 0.00 55.36 52.98 1y33 s GLN 59 Cb 0.22 -2.72 0.14 0.00 0.80 0.00 0.00 33.01 31.45 1y33 s GLN 59 CO 0.30 -0.22 0.30 0.34 -0.50 0.00 0.00 175.29 175.52 1y33 s ASP 60 N 1.34 5.03 0.00 6.67 2.15 -1.26 -4.65 116.67 125.94 1y33 s ASP 60 Ca 0.05 -2.59 0.30 0.00 0.43 0.00 0.00 52.55 50.74 1y33 s ASP 60 Cb -0.14 -1.79 1.53 0.00 -0.30 0.00 0.00 42.92 42.23 1y33 s ASP 60 CO -0.10 -0.39 2.02 0.59 -0.17 0.00 0.00 175.17 177.12 1y33 n ASN 61 N 3.79 0.61 -0.09 -0.34 3.02 -1.26 -3.70 115.26 117.29 1y33 n ASN 61 Ca 0.04 -1.16 -0.23 0.00 -0.03 0.00 0.00 54.58 53.20 1y33 n ASN 61 Cb 0.38 -0.01 -0.12 0.00 -0.61 0.00 0.00 39.78 39.43 1y33 n ASN 61 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1y33 n ASN 62 N -0.54 1.98 0.00 6.41 2.85 -1.26 -4.89 115.26 119.81 1y33 n ASN 62 Ca 0.21 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.90 1y33 n ASN 62 Cb 0.22 -0.77 0.00 0.00 1.24 0.00 0.00 39.78 40.47 1y33 n ASN 62 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1y33 n SER 63 N -3.87 0.00 0.01 1.20 7.64 -1.24 -4.97 113.62 112.39 1y33 n SER 63 Ca -0.41 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.34 1y33 n SER 63 Cb 0.90 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.01 1y33 n SER 63 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1y33 h HIS 64 N 0.00 0.00 -0.57 1.43 6.17 -1.92 -2.66 115.15 117.60 1y33 h HIS 64 Ca 0.00 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 1y33 h HIS 64 Cb 0.00 -0.00 -0.03 0.00 2.52 0.00 0.00 27.41 29.90 1y33 h HIS 64 CO 0.00 0.31 0.34 0.78 0.71 0.00 0.00 177.93 180.07 1y33 h GLY 65 N -0.31 0.81 1.22 5.26 0.00 -1.87 -1.36 103.07 106.83 1y33 h GLY 65 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1y33 h GLY 65 CO 0.00 0.32 0.13 -0.84 0.00 0.00 0.00 176.54 176.15 1y33 h THR 66 N 0.78 1.25 -0.04 4.70 2.02 -1.54 -0.48 112.91 119.59 1y33 h THR 66 Ca 0.20 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1y33 h THR 66 Cb -0.03 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1y33 h THR 66 CO -0.04 0.34 -0.05 -0.74 0.37 0.00 0.00 175.52 175.41 1y33 h HIS 67 N 0.92 0.13 -0.47 3.16 6.17 -0.97 -1.88 115.15 122.21 1y33 h HIS 67 Ca 0.19 -0.04 0.07 0.00 0.71 0.00 0.00 60.37 61.31 1y33 h HIS 67 Cb 0.35 -0.03 -0.06 0.00 2.52 0.00 0.00 27.41 30.19 1y33 h HIS 67 CO 0.02 0.57 0.12 0.28 0.71 0.00 0.00 177.93 179.64 1y33 h VAL 68 N -0.35 0.79 -0.81 5.26 2.07 -1.25 -2.41 116.25 119.54 1y33 h VAL 68 Ca 0.01 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1y33 h VAL 68 Cb 0.55 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1y33 h VAL 68 CO 0.01 0.05 0.39 0.00 0.02 0.00 0.00 177.57 178.04 1y33 h ALA 69 N 1.34 1.16 -0.14 1.67 0.00 -1.00 -2.26 119.26 120.03 1y33 h ALA 69 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1y33 h ALA 69 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1y33 h ALA 69 CO -0.27 0.64 -0.02 0.78 0.00 0.00 0.00 179.25 180.38 1y33 h GLY 70 N 1.17 0.21 1.09 0.00 0.00 -0.87 0.64 103.07 105.32 1y33 h GLY 70 Ca 0.28 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 1y33 h GLY 70 CO -0.04 0.10 -0.45 -0.84 0.00 0.00 0.00 176.54 175.31 1y33 h THR 71 N 0.20 1.28 -0.01 4.70 2.02 -1.04 -1.21 112.91 118.84 1y33 h THR 71 Ca 0.05 -1.63 0.01 0.00 0.77 0.00 0.00 66.41 65.60 1y33 h THR 71 Cb 0.17 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1y33 h THR 71 CO 0.00 0.53 -0.02 0.58 0.37 0.00 0.00 175.52 176.99 1y33 h VAL 72 N 0.62 0.95 0.00 3.16 2.07 -0.97 -1.25 116.25 120.83 1y33 h VAL 72 Ca 0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1y33 h VAL 72 Cb 1.05 0.95 -0.11 0.00 -1.52 0.00 0.00 31.29 31.67 1y33 h VAL 72 CO 0.10 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.31 1y33 n ALA 73 N -2.15 2.53 -1.66 1.67 0.00 0.18 -0.44 120.51 120.64 1y33 n ALA 73 Ca -0.06 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 1y33 n ALA 73 Cb 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1y33 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y33 n ALA 74 N 0.09 0.81 -1.73 0.00 0.00 -0.46 -4.60 120.51 114.62 1y33 n ALA 74 Ca -0.06 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.32 1y33 n ALA 74 Cb 0.72 -2.18 0.01 0.00 0.00 0.00 0.00 19.45 17.99 1y33 n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y33 s LEU 75 N -0.97 3.69 -0.49 0.00 1.43 -0.04 -0.91 118.68 121.39 1y33 s LEU 75 Ca 0.60 2.15 -0.23 0.00 -1.03 0.00 0.00 54.13 55.62 1y33 s LEU 75 Cb -0.56 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.12 1y33 s LEU 75 CO 0.59 -1.28 0.80 0.21 0.23 0.00 0.00 176.35 176.90 1y33 s ASN 76 N -1.90 6.35 0.00 2.29 2.47 -1.26 -4.58 114.94 118.31 1y33 s ASN 76 Ca 0.72 -0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.68 1y33 s ASN 76 Cb -0.23 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 1y33 s ASN 76 CO 0.29 -1.00 0.00 -0.46 -3.72 0.00 0.00 177.10 172.22 1y33 n ASN 77 N 6.82 0.00 -1.65 -4.21 0.23 -1.26 -5.05 115.26 110.14 1y33 n ASN 77 Ca 0.01 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.12 1y33 n ASN 77 Cb 0.48 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.54 1y33 n ASN 77 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1y33 n SER 78 N 0.00 5.24 -4.23 0.53 3.41 -1.26 -4.45 113.62 112.86 1y33 n SER 78 Ca 0.00 -2.98 -0.14 0.00 -0.26 0.00 0.00 58.87 55.48 1y33 n SER 78 Cb 0.00 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.19 1y33 n SER 78 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1y33 s ILE 79 N -2.81 1.13 0.00 -1.33 -4.36 -1.26 -1.89 121.20 110.68 1y33 s ILE 79 Ca 0.52 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 1y33 s ILE 79 Cb 0.40 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 42.40 1y33 s ILE 79 CO 0.14 -0.68 0.00 0.61 0.24 0.00 0.00 174.94 175.25 1y33 n GLY 80 N 0.03 3.04 3.84 6.27 0.00 -1.26 -4.51 105.19 112.60 1y33 n GLY 80 Ca -0.12 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1y33 n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y33 s VAL 81 N 0.00 2.18 -0.09 1.61 -7.23 -1.26 -0.67 120.40 114.95 1y33 s VAL 81 Ca 0.00 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1y33 s VAL 81 Cb 0.00 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1y33 s VAL 81 CO 0.00 0.00 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.40 1y33 s LEU 82 N -4.10 2.54 0.67 1.32 2.96 -0.91 -4.44 118.68 116.72 1y33 s LEU 82 Ca 0.40 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1y33 s LEU 82 Cb -0.00 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.19 1y33 s LEU 82 CO 0.23 0.24 0.99 -0.83 -1.32 0.00 0.00 176.35 175.66 1y33 s GLY 83 N -0.11 1.64 0.15 7.98 0.00 -0.09 -4.59 107.32 112.31 1y33 s GLY 83 Ca -0.03 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.79 1y33 s GLY 83 CO 0.04 -0.40 1.75 -2.08 0.00 0.00 0.00 173.10 172.41 1y33 h VAL 84 N -0.47 1.17 -2.57 1.40 2.07 -1.11 -3.35 116.25 113.39 1y33 h VAL 84 Ca -0.45 -0.45 -0.60 0.00 0.82 0.00 0.00 66.70 66.01 1y33 h VAL 84 Cb 1.29 0.64 -0.41 0.00 -1.52 0.00 0.00 31.29 31.29 1y33 h VAL 84 CO 0.61 0.18 -0.71 0.00 0.02 0.00 0.00 177.57 177.67 1y33 n ALA 85 N -2.28 3.40 0.43 1.67 0.00 0.42 -4.89 120.51 119.26 1y33 n ALA 85 Ca 0.01 -4.23 0.07 0.00 0.00 0.00 0.00 53.44 49.29 1y33 n ALA 85 Cb 0.09 -0.92 0.29 0.00 0.00 0.00 0.00 19.45 18.92 1y33 n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1y33 n PRO 86 N 1.71 0.02 -0.10 0.00 -0.04 -1.03 -1.51 135.00 134.04 1y33 n PRO 86 Ca 0.25 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 64.11 1y33 n PRO 86 Cb 0.41 -1.54 0.15 0.00 -0.04 0.00 0.00 33.50 32.48 1y33 n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1y33 n SER 87 N -1.57 3.00 -4.68 3.54 7.64 -0.18 -4.45 113.62 116.92 1y33 n SER 87 Ca 0.03 -1.89 -0.37 0.00 1.01 0.00 0.00 58.87 57.65 1y33 n SER 87 Cb 0.15 -0.13 0.08 0.00 -1.01 0.00 0.00 64.21 63.30 1y33 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y33 n ALA 88 N 1.20 0.59 -2.57 -0.43 0.00 -0.57 -4.05 120.51 114.68 1y33 n ALA 88 Ca 0.15 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1y33 n ALA 88 Cb 0.53 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 1y33 n ALA 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1y33 s SER 89 N -1.48 6.53 -0.19 0.00 0.01 0.48 -4.96 113.70 114.09 1y33 s SER 89 Ca 0.79 0.20 -0.14 0.00 1.31 0.00 0.00 55.95 58.12 1y33 s SER 89 Cb -0.37 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.35 1y33 s SER 89 CO 0.44 -1.04 0.29 -0.22 0.41 0.00 0.00 173.24 173.12 1y33 s LEU 90 N 3.76 4.19 -0.14 2.44 2.96 -1.26 -0.79 118.68 129.84 1y33 s LEU 90 Ca 0.38 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1y33 s LEU 90 Cb -0.10 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 1y33 s LEU 90 CO 0.26 0.04 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.84 1y33 s TYR 91 N 0.84 2.72 -0.43 5.38 1.51 0.33 0.02 117.35 127.73 1y33 s TYR 91 Ca 0.15 -1.00 -0.22 0.00 -1.01 0.00 0.00 57.07 54.98 1y33 s TYR 91 Cb -0.13 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1y33 s TYR 91 CO 0.05 -0.43 0.74 0.00 -1.11 0.00 0.00 175.55 174.80 1y33 s ALA 92 N 0.61 3.34 -0.43 3.71 0.00 -0.34 -1.14 121.76 127.51 1y33 s ALA 92 Ca -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 1y33 s ALA 92 Cb -0.16 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 19.69 1y33 s ALA 92 CO 0.03 -1.77 0.22 0.08 0.00 0.00 0.00 175.76 174.31 1y33 s VAL 93 N 3.10 3.21 -0.27 0.00 1.01 -0.68 -1.52 120.40 125.26 1y33 s VAL 93 Ca 0.28 -2.23 -0.25 0.00 0.00 0.00 0.00 61.98 59.78 1y33 s VAL 93 Cb -0.13 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1y33 s VAL 93 CO 0.20 -0.71 0.87 -0.75 0.00 0.00 0.00 175.10 174.72 1y33 s LYS 94 N 0.93 4.12 0.00 2.72 2.20 -0.56 -1.43 119.74 127.72 1y33 s LYS 94 Ca 0.10 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1y33 s LYS 94 Cb -0.22 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 1y33 s LYS 94 CO -0.04 -0.62 0.27 1.33 -0.36 0.00 0.00 175.35 175.92 1y33 n VAL 95 N 5.41 0.01 -4.97 4.02 0.24 0.88 -0.34 118.33 123.58 1y33 n VAL 95 Ca 0.07 -0.26 -0.32 0.00 -2.04 0.00 0.00 64.34 61.78 1y33 n VAL 95 Cb 0.47 1.47 -0.14 0.00 -1.47 0.00 0.00 33.84 34.17 1y33 n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1y33 s LEU 96 N -0.01 2.53 0.67 1.34 1.43 -1.06 -4.36 118.68 119.22 1y33 s LEU 96 Ca 0.00 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 1y33 s LEU 96 Cb 0.00 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1y33 s LEU 96 CO 0.00 0.26 1.07 -0.83 0.23 0.00 0.00 176.35 177.09 1y33 s GLY 97 N -0.24 1.90 0.29 -3.19 0.00 -0.52 -4.63 107.32 100.93 1y33 s GLY 97 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 44.72 45.07 1y33 s GLY 97 CO 0.03 0.63 1.43 0.00 0.00 0.00 0.00 173.10 175.19 1y33 n ALA 98 N -2.73 0.55 0.00 3.20 0.00 -1.26 0.95 120.51 121.22 1y33 n ALA 98 Ca 0.09 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.50 1y33 n ALA 98 Cb 0.53 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1y33 n ALA 98 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1y33 n ASP 99 N -5.29 0.00 -1.42 0.00 5.75 -1.26 -4.29 116.55 110.03 1y33 n ASP 99 Ca 0.24 0.20 -0.08 0.00 -0.01 0.00 0.00 54.79 55.14 1y33 n ASP 99 Cb 0.79 -0.20 0.02 0.00 -1.03 0.00 0.00 41.12 40.70 1y33 n ASP 99 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y33 n GLY 100 N -1.16 0.35 3.03 6.12 0.00 0.27 -5.06 105.19 108.73 1y33 n GLY 100 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1y33 n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y33 s SER 101 N -3.01 0.27 0.02 1.61 1.04 -1.25 -4.96 113.70 107.41 1y33 s SER 101 Ca 0.16 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 56.03 1y33 s SER 101 Cb -0.07 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1y33 s SER 101 CO 0.20 -0.39 -0.07 -0.83 0.98 0.00 0.00 173.24 173.13 1y33 s GLY 102 N -1.84 0.40 0.49 7.32 0.00 -1.26 -1.44 107.32 110.99 1y33 s GLY 102 Ca -0.10 -0.51 -0.21 0.00 0.00 0.00 0.00 44.72 43.90 1y33 s GLY 102 CO -0.03 -0.52 1.10 1.20 0.00 0.00 0.00 173.10 174.85 1y33 s GLN 103 N -0.87 3.66 0.26 2.90 -1.52 -1.26 -4.95 119.66 117.88 1y33 s GLN 103 Ca -0.04 1.56 -0.01 0.00 -1.95 0.00 0.00 55.36 54.92 1y33 s GLN 103 Cb -0.06 -2.18 0.50 0.00 -0.22 0.00 0.00 33.01 31.06 1y33 s GLN 103 CO 0.00 -0.59 1.78 1.88 -0.25 0.00 0.00 175.29 178.12 1y33 h TYR 104 N 1.63 0.85 -0.47 0.91 -1.99 -2.00 -1.16 116.97 114.73 1y33 h TYR 104 Ca -0.50 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.30 1y33 h TYR 104 Cb 1.24 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 39.70 1y33 h TYR 104 CO 0.54 0.26 0.31 0.66 -0.00 0.00 0.00 178.16 179.94 1y33 h SER 105 N 0.72 0.43 -0.35 3.88 4.64 -1.99 -0.89 113.55 120.00 1y33 h SER 105 Ca 0.45 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.64 1y33 h SER 105 Cb 0.56 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1y33 h SER 105 CO -0.32 0.30 -0.28 -0.50 -0.87 0.00 0.00 176.83 175.16 1y33 h TRP 106 N 0.50 0.95 -0.26 4.77 6.55 -1.52 -0.36 115.95 126.59 1y33 h TRP 106 Ca 0.19 -0.27 -0.03 0.00 0.95 0.00 0.00 58.89 59.74 1y33 h TRP 106 Cb 0.14 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 1y33 h TRP 106 CO -0.00 1.04 0.06 0.82 -1.05 0.00 0.00 178.44 179.31 1y33 h ILE 107 N 0.59 1.22 -0.52 1.49 5.03 -1.22 -1.05 117.51 123.04 1y33 h ILE 107 Ca 0.06 -0.71 0.05 0.00 -0.12 0.00 0.00 64.86 64.14 1y33 h ILE 107 Cb 0.86 1.20 -0.05 0.00 -3.03 0.00 0.00 36.82 35.80 1y33 h ILE 107 CO 0.07 0.23 0.26 0.40 -0.68 0.00 0.00 178.15 178.43 1y33 h ILE 108 N 0.24 0.95 -0.68 -0.67 2.04 -1.12 0.50 117.51 118.76 1y33 h ILE 108 Ca 0.08 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1y33 h ILE 108 Cb 0.29 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1y33 h ILE 108 CO 0.00 0.09 0.35 0.78 0.00 0.00 0.00 178.15 179.38 1y33 h ASN 109 N 0.50 0.84 -0.42 1.72 2.35 -0.82 0.31 115.58 120.06 1y33 h ASN 109 Ca 0.23 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1y33 h ASN 109 Cb 0.15 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1y33 h ASN 109 CO -0.17 0.69 0.07 1.23 -1.65 0.00 0.00 177.43 177.61 1y33 h GLY 110 N 1.01 0.75 0.99 2.83 0.00 -0.41 0.36 103.07 108.61 1y33 h GLY 110 Ca 0.24 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1y33 h GLY 110 CO -0.04 0.46 0.31 -2.22 0.00 0.00 0.00 176.54 175.05 1y33 h ILE 111 N 0.56 1.15 -0.82 2.60 2.04 -0.32 -1.22 117.51 121.49 1y33 h ILE 111 Ca 0.13 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1y33 h ILE 111 Cb 0.37 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1y33 h ILE 111 CO 0.01 0.15 0.53 -0.33 0.00 0.00 0.00 178.15 178.50 1y33 h GLU 112 N 0.66 1.00 -0.58 2.37 4.39 -0.74 -1.22 114.58 120.46 1y33 h GLU 112 Ca 0.18 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1y33 h GLU 112 Cb -0.03 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.36 1y33 h GLU 112 CO -0.03 0.66 0.38 2.35 -1.16 0.00 0.00 179.01 181.21 1y33 h TRP 113 N 1.03 0.71 -0.63 4.33 7.01 -0.65 -1.18 115.95 126.58 1y33 h TRP 113 Ca 0.32 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.34 1y33 h TRP 113 Cb -0.01 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 1y33 h TRP 113 CO -0.02 0.43 0.40 0.00 -2.79 0.00 0.00 178.44 176.45 1y33 h ALA 114 N 1.23 0.80 -0.03 2.65 0.00 -0.59 -0.87 119.26 122.46 1y33 h ALA 114 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1y33 h ALA 114 Cb -0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1y33 h ALA 114 CO -0.07 0.26 0.02 0.82 0.00 0.00 0.00 179.25 180.28 1y33 h ILE 115 N 0.85 1.06 0.00 0.00 2.04 -0.96 -1.73 117.51 118.78 1y33 h ILE 115 Ca 0.23 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1y33 h ILE 115 Cb -0.06 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1y33 h ILE 115 CO -0.05 0.05 -0.09 0.00 0.00 0.00 0.00 178.15 178.07 1y33 h ALA 116 N 0.94 1.33 -0.58 1.87 0.00 -0.85 -1.85 119.26 120.12 1y33 h ALA 116 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1y33 h ALA 116 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1y33 h ALA 116 CO -0.00 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1y33 n ASN 117 N -3.68 4.73 -3.65 0.00 3.02 -0.36 -4.98 115.26 110.34 1y33 n ASN 117 Ca -0.02 -2.55 -0.25 0.00 -0.03 0.00 0.00 54.58 51.73 1y33 n ASN 117 Cb 0.20 -0.57 0.07 0.00 -0.61 0.00 0.00 39.78 38.87 1y33 n ASN 117 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1y33 n ASN 118 N 0.85 -5.98 -4.77 6.41 3.02 -0.70 -4.96 115.26 109.13 1y33 n ASN 118 Ca 0.25 -0.58 -0.41 0.00 -0.03 0.00 0.00 54.58 53.81 1y33 n ASN 118 Cb 0.91 -4.85 -0.01 0.00 -0.61 0.00 0.00 39.78 35.22 1y33 n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1y33 s MET 119 N -6.34 4.25 0.04 3.52 -1.94 -0.68 -4.86 119.30 113.30 1y33 s MET 119 Ca 0.58 2.36 0.07 0.00 -1.71 0.00 0.00 55.69 57.00 1y33 s MET 119 Cb -0.26 -3.03 -0.23 0.00 2.01 0.00 0.00 34.83 33.32 1y33 s MET 119 CO 0.75 -0.34 0.99 -0.44 -0.01 0.00 0.00 175.02 175.97 1y33 h ASP 120 N 3.34 0.08 -3.95 3.03 3.32 -1.16 -3.43 116.42 117.65 1y33 h ASP 120 Ca -0.49 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.23 1y33 h ASP 120 Cb 1.23 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.49 1y33 h ASP 120 CO 0.66 1.09 -0.72 -0.69 -1.72 0.00 0.00 179.24 177.86 1y33 s VAL 121 N -2.65 0.02 -0.09 -1.35 1.01 -0.77 -1.46 120.40 115.11 1y33 s VAL 121 Ca -0.03 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1y33 s VAL 121 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.40 1y33 s VAL 121 CO 0.83 -0.09 -0.22 -0.63 0.00 0.00 0.00 175.10 174.99 1y33 s ILE 122 N -0.25 2.27 -0.13 2.22 1.01 0.05 -0.89 121.20 125.47 1y33 s ILE 122 Ca -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1y33 s ILE 122 Cb -0.02 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 1y33 s ILE 122 CO -0.00 0.56 -0.10 0.21 0.00 0.00 0.00 174.94 175.60 1y33 s ASN 123 N 0.15 4.25 -0.44 3.58 2.47 -0.25 -1.16 114.94 123.55 1y33 s ASN 123 Ca -0.12 -0.25 0.03 0.00 0.42 0.00 0.00 52.86 52.94 1y33 s ASN 123 Cb -0.16 -1.60 0.12 0.00 -1.45 0.00 0.00 41.25 38.16 1y33 s ASN 123 CO 0.07 0.19 0.19 -0.04 -3.72 0.00 0.00 177.10 173.78 1y33 s MET 124 N 0.24 1.56 -1.50 0.43 -1.94 0.08 -1.52 119.30 116.65 1y33 s MET 124 Ca -0.07 -2.14 -0.08 0.00 -1.71 0.00 0.00 55.69 51.69 1y33 s MET 124 Cb -0.15 -2.90 0.00 0.00 2.01 0.00 0.00 34.83 33.79 1y33 s MET 124 CO 0.05 -1.07 2.71 0.43 -0.01 0.00 0.00 175.02 177.12 1y33 n SER 125 N 3.66 8.43 -3.77 3.03 7.64 -1.26 -1.87 113.62 129.47 1y33 n SER 125 Ca 0.05 -2.82 -0.10 0.00 1.01 0.00 0.00 58.87 57.01 1y33 n SER 125 Cb 0.36 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.04 1y33 n SER 125 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1y33 s LEU 126 N -0.80 0.34 -0.03 -3.43 1.43 -1.26 -4.80 118.68 110.13 1y33 s LEU 126 Ca 0.63 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.88 1y33 s LEU 126 Cb 0.18 1.87 0.12 0.00 0.03 0.00 0.00 46.19 48.39 1y33 s LEU 126 CO -0.08 -0.98 1.32 -0.83 0.23 0.00 0.00 176.35 176.01 1y33 s GLY 127 N -2.88 -0.40 0.11 -3.19 0.00 -1.26 -4.49 107.32 95.21 1y33 s GLY 127 Ca 0.10 0.67 -0.14 0.00 0.00 0.00 0.00 44.72 45.35 1y33 s GLY 127 CO -0.04 0.74 0.33 -0.32 0.00 0.00 0.00 173.10 173.82 1y33 s GLY 128 N -3.08 -0.16 0.25 0.20 0.00 -0.22 -4.95 107.32 99.36 1y33 s GLY 128 Ca 0.16 -0.21 0.25 0.00 0.00 0.00 0.00 44.72 44.92 1y33 s GLY 128 CO -0.04 -0.45 1.75 -0.56 0.00 0.00 0.00 173.10 173.80 1y33 h PRO 129 N 2.52 0.00 -6.53 2.90 0.13 -1.96 0.32 132.00 129.37 1y33 h PRO 129 Ca -0.34 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.15 1y33 h PRO 129 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 1y33 h PRO 129 CO 0.50 0.00 -0.76 -1.12 -0.23 0.00 0.00 178.00 176.39 1y33 s SER 130 N -4.48 4.05 0.77 1.44 0.01 -1.26 -4.75 113.70 109.47 1y33 s SER 130 Ca 0.07 -0.61 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 1y33 s SER 130 Cb 0.11 -0.61 0.14 0.00 0.21 0.00 0.00 66.02 65.86 1y33 s SER 130 CO 0.50 0.13 1.05 -0.83 0.41 0.00 0.00 173.24 174.50 1y33 s GLY 131 N -2.63 1.76 0.03 3.44 0.00 -1.26 -4.72 107.32 103.94 1y33 s GLY 131 Ca 0.23 -1.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 1y33 s GLY 131 CO 0.13 -1.07 0.05 -1.35 0.00 0.00 0.00 173.10 170.86 1y33 s SER 132 N -4.78 0.22 0.28 1.64 1.04 -1.26 -5.03 113.70 105.81 1y33 s SER 132 Ca 0.68 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 1y33 s SER 132 Cb -0.05 0.18 0.47 0.00 0.10 0.00 0.00 66.02 66.73 1y33 s SER 132 CO 0.46 -0.44 1.89 0.00 0.98 0.00 0.00 173.24 176.13 1y33 h ALA 133 N 3.98 1.46 -0.40 5.32 0.00 -1.99 -0.77 119.26 126.85 1y33 h ALA 133 Ca -0.32 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1y33 h ALA 133 Cb 1.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1y33 h ALA 133 CO 0.48 0.38 -0.25 0.00 0.00 0.00 0.00 179.25 179.87 1y33 h ALA 134 N 1.49 0.80 -0.09 0.00 0.00 -1.99 -0.48 119.26 118.99 1y33 h ALA 134 Ca 0.43 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1y33 h ALA 134 Cb 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y33 h ALA 134 CO -0.17 0.65 0.01 1.25 0.00 0.00 0.00 179.25 180.99 1y33 h LEU 135 N 0.72 0.15 -0.91 0.00 5.85 -1.83 -1.77 115.31 117.51 1y33 h LEU 135 Ca 0.09 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1y33 h LEU 135 Cb 0.78 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1y33 h LEU 135 CO 0.06 0.38 0.57 0.50 -0.34 0.00 0.00 178.44 179.62 1y33 h LYS 136 N -0.09 1.01 -0.37 1.25 3.64 -1.06 -1.98 116.57 118.96 1y33 h LYS 136 Ca 0.03 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1y33 h LYS 136 Cb 0.30 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1y33 h LYS 136 CO 0.00 0.67 -0.09 0.00 -2.27 0.00 0.00 179.45 177.76 1y33 h ALA 137 N 1.43 1.15 -0.15 5.00 0.00 -0.90 -0.28 119.26 125.50 1y33 h ALA 137 Ca 0.40 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1y33 h ALA 137 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1y33 h ALA 137 CO -0.18 0.54 -0.17 0.00 0.00 0.00 0.00 179.25 179.43 1y33 h ALA 138 N 1.32 0.23 -0.56 0.00 0.00 -0.67 0.56 119.26 120.13 1y33 h ALA 138 Ca 0.11 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1y33 h ALA 138 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1y33 h ALA 138 CO 0.03 0.14 -0.00 -0.39 0.00 0.00 0.00 179.25 179.02 1y33 h VAL 139 N 0.02 1.26 -0.63 0.00 -1.51 -1.31 -1.27 116.25 112.80 1y33 h VAL 139 Ca 0.02 -1.11 -0.03 0.00 -1.23 0.00 0.00 66.70 64.35 1y33 h VAL 139 Cb 0.72 0.83 -0.03 0.00 -2.13 0.00 0.00 31.29 30.68 1y33 h VAL 139 CO 0.04 0.40 0.28 0.44 -1.23 0.00 0.00 177.57 177.50 1y33 h ASP 140 N 0.89 0.85 -0.42 4.19 3.32 -0.95 -1.48 116.42 122.82 1y33 h ASP 140 Ca 0.16 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1y33 h ASP 140 Cb 0.53 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1y33 h ASP 140 CO 0.03 0.77 0.26 0.50 -1.72 0.00 0.00 179.24 179.07 1y33 h LYS 141 N 0.88 0.56 -0.36 3.56 3.64 -0.69 0.12 116.57 124.28 1y33 h LYS 141 Ca 0.21 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1y33 h LYS 141 Cb 0.16 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1y33 h LYS 141 CO -0.02 0.40 0.17 0.00 -2.27 0.00 0.00 179.45 177.73 1y33 h ALA 142 N 1.13 0.44 -0.47 5.00 0.00 -0.96 -0.46 119.26 123.94 1y33 h ALA 142 Ca 0.15 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1y33 h ALA 142 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1y33 h ALA 142 CO -0.03 -0.20 -0.00 0.28 0.00 0.00 0.00 179.25 179.30 1y33 h VAL 143 N 0.36 1.26 -0.49 0.00 2.07 -1.06 -1.42 116.25 116.97 1y33 h VAL 143 Ca 0.15 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 66.69 1y33 h VAL 143 Cb 0.07 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1y33 h VAL 143 CO -0.11 0.37 0.33 0.00 0.02 0.00 0.00 177.57 178.18 1y33 h ALA 144 N 0.92 2.07 -0.00 1.67 0.00 -0.50 -1.73 119.26 121.69 1y33 h ALA 144 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y33 h ALA 144 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1y33 h ALA 144 CO 0.02 -0.18 -0.02 0.43 0.00 0.00 0.00 179.25 179.50 1y33 n SER 145 N -4.46 0.30 0.00 0.00 7.64 -0.20 -4.92 113.62 111.97 1y33 n SER 145 Ca 0.07 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1y33 n SER 145 Cb 0.35 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1y33 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y33 n GLY 146 N 1.13 0.76 3.76 0.23 0.00 -0.65 -5.07 105.19 105.35 1y33 n GLY 146 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1y33 n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y33 s VAL 147 N -2.00 4.56 -0.22 1.61 1.01 -0.59 -4.11 120.40 120.66 1y33 s VAL 147 Ca 0.00 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1y33 s VAL 147 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1y33 s VAL 147 CO 0.00 0.43 1.02 -0.69 0.00 0.00 0.00 175.10 175.86 1y33 s VAL 148 N -0.50 4.70 -0.19 2.92 1.01 -0.54 -4.21 120.40 123.59 1y33 s VAL 148 Ca 0.38 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 64.33 1y33 s VAL 148 Cb -0.22 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1y33 s VAL 148 CO 0.25 -0.16 -0.09 -0.69 0.00 0.00 0.00 175.10 174.41 1y33 s VAL 149 N 3.10 3.09 -0.04 2.92 1.01 -1.26 -0.77 120.40 128.44 1y33 s VAL 149 Ca 0.43 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1y33 s VAL 149 Cb -0.15 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1y33 s VAL 149 CO 0.07 0.47 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1y33 s VAL 150 N 1.19 1.69 0.04 2.92 1.01 -0.31 -1.54 120.40 125.41 1y33 s VAL 150 Ca 0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1y33 s VAL 150 Cb -0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1y33 s VAL 150 CO -0.03 0.48 -0.01 0.00 0.00 0.00 0.00 175.10 175.54 1y33 s ALA 151 N -0.15 0.28 0.33 5.51 0.00 -0.07 -0.74 121.76 126.92 1y33 s ALA 151 Ca -0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 1y33 s ALA 151 Cb -0.11 0.23 -0.11 0.00 0.00 0.00 0.00 23.12 23.13 1y33 s ALA 151 CO 0.02 -0.29 1.54 0.00 0.00 0.00 0.00 175.76 177.03 1y33 s ALA 152 N -2.91 3.67 0.26 0.00 0.00 -0.78 -1.33 121.76 120.67 1y33 s ALA 152 Ca -0.02 1.57 0.21 0.00 0.00 0.00 0.00 51.96 53.71 1y33 s ALA 152 Cb 0.01 -3.63 0.91 0.00 0.00 0.00 0.00 23.12 20.41 1y33 s ALA 152 CO -0.06 -1.01 1.85 0.00 0.00 0.00 0.00 175.76 176.54 1y33 h ALA 153 N 4.04 1.14 0.00 0.00 0.00 -1.16 -3.40 119.26 119.87 1y33 h ALA 153 Ca -0.49 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1y33 h ALA 153 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y33 h ALA 153 CO 0.73 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1y33 n GLY 154 N -0.14 3.01 1.73 0.00 0.00 -1.26 -1.45 105.19 107.08 1y33 n GLY 154 Ca -0.01 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 1y33 n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y33 n ASN 155 N 0.00 4.32 -0.22 1.61 3.02 -1.26 -1.22 115.26 121.51 1y33 n ASN 155 Ca 0.00 -3.78 0.13 0.00 -0.03 0.00 0.00 54.58 50.90 1y33 n ASN 155 Cb 0.00 -0.40 0.45 0.00 -0.61 0.00 0.00 39.78 39.22 1y33 n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y33 n GLU 156 N -0.80 0.84 0.00 3.52 -0.58 -1.09 -4.77 120.64 117.76 1y33 n GLU 156 Ca 0.39 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1y33 n GLU 156 Cb 0.91 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1y33 n GLU 156 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y33 n GLY 157 N 1.31 1.47 3.97 0.62 0.00 -0.03 -4.76 105.19 107.78 1y33 n GLY 157 Ca 0.13 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1y33 n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y33 s THR 158 N 0.00 4.91 -0.46 2.61 -4.23 -1.26 -3.76 115.64 113.45 1y33 s THR 158 Ca 0.00 -0.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1y33 s THR 158 Cb 0.00 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.36 1y33 s THR 158 CO 0.00 -0.31 0.84 -0.24 -0.54 0.00 0.00 174.62 174.36 1y33 n SER 159 N -1.53 -2.04 0.00 3.99 2.88 -1.26 -5.08 113.62 110.57 1y33 n SER 159 Ca -0.06 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.26 1y33 n SER 159 Cb 0.57 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.27 1y33 n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y33 n GLY 160 N 1.36 3.87 1.25 0.46 0.00 -1.26 -1.75 105.19 109.12 1y33 n GLY 160 Ca 0.12 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1y33 n GLY 160 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1y33 n SER 161 N 8.21 3.74 -4.82 1.61 7.64 -1.26 -4.97 113.62 123.77 1y33 n SER 161 Ca 0.00 -1.99 -0.35 0.00 1.01 0.00 0.00 58.87 57.54 1y33 n SER 161 Cb 0.00 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 1y33 n SER 161 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1y33 s SER 162 N -1.15 7.01 0.33 6.43 0.01 -0.72 -5.05 113.70 120.56 1y33 s SER 162 Ca 0.44 1.51 -0.28 0.00 1.31 0.00 0.00 55.95 58.93 1y33 s SER 162 Cb 0.24 -2.46 -0.10 0.00 0.21 0.00 0.00 66.02 63.92 1y33 s SER 162 CO 0.32 -0.12 1.19 -0.55 0.41 0.00 0.00 173.24 174.49 1y33 s SER 163 N -1.90 6.91 -0.06 2.44 0.15 -1.26 -4.46 113.70 115.51 1y33 s SER 163 Ca 0.51 2.43 0.09 0.00 0.70 0.00 0.00 55.95 59.67 1y33 s SER 163 Cb -0.14 -2.63 0.14 0.00 -1.71 0.00 0.00 66.02 61.68 1y33 s SER 163 CO 0.19 -0.41 1.03 0.35 1.20 0.00 0.00 173.24 175.60 1y33 n THR 164 N 0.76 1.26 -2.17 6.45 -2.24 0.83 -4.98 114.28 114.19 1y33 n THR 164 Ca 0.01 -1.43 -0.42 0.00 -2.27 0.00 0.00 64.05 59.93 1y33 n THR 164 Cb 0.44 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1y33 n THR 164 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y33 s VAL 165 N -1.72 3.39 0.81 2.28 1.01 -1.18 -4.61 120.40 120.38 1y33 s VAL 165 Ca 0.15 0.94 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 1y33 s VAL 165 Cb 0.13 -3.61 0.17 0.00 0.00 0.00 0.00 36.38 33.07 1y33 s VAL 165 CO 0.01 0.05 1.11 -0.83 0.00 0.00 0.00 175.10 175.44 1y33 s GLY 166 N 1.39 1.77 0.03 4.51 0.00 -0.53 -4.68 107.32 109.81 1y33 s GLY 166 Ca 0.65 -1.73 -0.05 0.00 0.00 0.00 0.00 44.72 43.59 1y33 s GLY 166 CO 0.29 -1.05 0.27 -0.19 0.00 0.00 0.00 173.10 172.43 1y33 s TYR 167 N -3.39 3.56 -2.04 1.90 2.02 0.10 -0.35 117.35 119.15 1y33 s TYR 167 Ca 0.70 0.53 0.29 0.00 -0.37 0.00 0.00 57.07 58.22 1y33 s TYR 167 Cb -0.04 -1.96 1.30 0.00 -0.40 0.00 0.00 41.96 40.86 1y33 s TYR 167 CO 0.47 0.59 1.89 -0.35 -1.57 0.00 0.00 175.55 176.59 1y33 n PRO 168 N 0.91 1.12 -0.32 -1.71 -0.04 -1.26 -1.06 135.00 132.64 1y33 n PRO 168 Ca -0.10 -0.45 0.16 0.00 -0.04 0.00 0.00 63.50 63.07 1y33 n PRO 168 Cb 0.52 -1.49 0.40 0.00 -0.04 0.00 0.00 33.50 32.90 1y33 n PRO 168 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1y33 h GLY 169 N 4.93 1.45 2.00 0.55 0.00 -1.71 -1.80 103.07 108.48 1y33 h GLY 169 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1y33 h GLY 169 CO 0.00 -0.06 -0.01 1.70 0.00 0.00 0.00 176.54 178.18 1y33 h LYS 170 N 0.61 0.00 -6.74 4.80 3.64 -0.96 -3.38 116.57 114.55 1y33 h LYS 170 Ca 0.55 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 59.41 1y33 h LYS 170 Cb 1.06 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1y33 h LYS 170 CO -0.31 0.01 0.68 0.71 -2.27 0.00 0.00 179.45 178.26 1y33 s TYR 171 N -3.78 3.15 0.43 1.91 2.02 -0.68 -4.92 117.35 115.48 1y33 s TYR 171 Ca -0.00 1.20 0.19 0.00 -0.37 0.00 0.00 57.07 58.10 1y33 s TYR 171 Cb 0.10 -3.68 1.14 0.00 -0.40 0.00 0.00 41.96 39.12 1y33 s TYR 171 CO 0.52 -2.09 1.85 -1.35 -1.57 0.00 0.00 175.55 172.90 1y33 h PRO 172 N 4.89 0.34 0.00 -1.71 0.11 -1.89 -1.48 132.00 132.26 1y33 h PRO 172 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1y33 h PRO 172 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1y33 h PRO 172 CO 0.75 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.64 1y33 n SER 173 N -4.49 0.60 -4.69 -2.05 3.41 -1.26 -4.74 113.62 100.40 1y33 n SER 173 Ca 0.20 0.60 -0.35 0.00 -0.26 0.00 0.00 58.87 59.06 1y33 n SER 173 Cb 0.75 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1y33 n SER 173 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y33 s VAL 174 N -3.18 4.47 -0.45 -3.33 1.01 -0.56 -4.71 120.40 113.66 1y33 s VAL 174 Ca 0.08 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 1y33 s VAL 174 Cb 0.11 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1y33 s VAL 174 CO 0.46 0.59 1.00 -0.63 0.00 0.00 0.00 175.10 176.53 1y33 s ILE 175 N -0.73 4.40 -0.13 2.22 1.01 -0.59 -4.80 121.20 122.59 1y33 s ILE 175 Ca 0.12 1.02 -0.19 0.00 0.00 0.00 0.00 60.65 61.59 1y33 s ILE 175 Cb -0.12 -4.48 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 1y33 s ILE 175 CO 0.02 -0.83 0.54 0.00 0.00 0.00 0.00 174.94 174.67 1y33 s ALA 176 N 3.94 3.46 -0.15 9.38 0.00 -1.26 -0.90 121.76 136.23 1y33 s ALA 176 Ca 0.41 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1y33 s ALA 176 Cb -0.09 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1y33 s ALA 176 CO 0.26 -0.14 -0.18 0.08 0.00 0.00 0.00 175.76 175.79 1y33 s VAL 177 N 0.93 2.39 0.55 0.00 1.01 -0.44 -1.25 120.40 123.60 1y33 s VAL 177 Ca 0.28 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1y33 s VAL 177 Cb -0.16 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.30 1y33 s VAL 177 CO 0.12 0.53 0.75 -0.83 0.00 0.00 0.00 175.10 175.67 1y33 s GLY 178 N 0.90 1.80 -0.11 4.51 0.00 -0.39 -0.67 107.32 113.35 1y33 s GLY 178 Ca -0.04 -1.93 -0.00 0.00 0.00 0.00 0.00 44.72 42.75 1y33 s GLY 178 CO -0.02 -1.54 -0.10 0.00 0.00 0.00 0.00 173.10 171.43 1y33 s ALA 179 N -2.64 2.77 0.34 3.20 0.00 -1.26 -1.23 121.76 122.94 1y33 s ALA 179 Ca 0.60 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.77 1y33 s ALA 179 Cb -0.07 -1.25 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 1y33 s ALA 179 CO 0.38 0.35 -0.03 0.14 0.00 0.00 0.00 175.76 176.60 1y33 s VAL 180 N -0.01 2.47 0.00 0.00 -7.23 -0.57 -1.21 120.40 113.85 1y33 s VAL 180 Ca -0.02 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1y33 s VAL 180 Cb -0.14 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1y33 s VAL 180 CO 0.04 -0.20 0.00 -0.90 -0.31 0.00 0.00 175.10 173.73 1y33 n ASP 181 N -0.89 0.00 0.09 4.85 5.68 -0.07 -0.78 116.55 125.42 1y33 n ASP 181 Ca -0.04 -0.92 0.10 0.00 -0.50 0.00 0.00 54.79 53.43 1y33 n ASP 181 Cb 0.63 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 41.04 1y33 n ASP 181 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1y33 n SER 182 N -2.76 0.45 -1.40 -1.12 3.41 -1.26 -1.16 113.62 109.77 1y33 n SER 182 Ca 0.00 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 1y33 n SER 182 Cb 0.00 -0.71 0.33 0.00 -0.26 0.00 0.00 64.21 63.57 1y33 n SER 182 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1y33 n SER 183 N -2.00 4.11 -0.85 4.04 3.41 -1.26 -4.95 113.62 116.12 1y33 n SER 183 Ca 0.03 -2.17 -0.11 0.00 -0.26 0.00 0.00 58.87 56.35 1y33 n SER 183 Cb 0.22 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 1y33 n SER 183 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y33 n ASN 184 N 1.37 -4.62 -4.76 4.04 3.02 -0.31 -5.01 115.26 108.99 1y33 n ASN 184 Ca 0.24 0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 54.67 1y33 n ASN 184 Cb 0.70 -3.10 -0.05 0.00 -0.61 0.00 0.00 39.78 36.72 1y33 n ASN 184 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1y33 s GLN 185 N -2.83 4.42 0.27 3.52 -1.52 -1.26 -4.79 119.66 117.46 1y33 s GLN 185 Ca 0.00 0.94 -0.31 0.00 -1.95 0.00 0.00 55.36 54.05 1y33 s GLN 185 Cb 0.00 -3.33 -0.12 0.00 -0.22 0.00 0.00 33.01 29.34 1y33 s GLN 185 CO 0.00 0.39 1.58 -2.13 -0.25 0.00 0.00 175.29 174.88 1y33 n ARG 186 N 2.50 2.57 -2.28 2.91 0.63 -1.26 -0.90 116.66 120.83 1y33 n ARG 186 Ca -0.05 0.92 -0.39 0.00 -0.92 0.00 0.00 57.85 57.41 1y33 n ARG 186 Cb 0.50 -2.69 -0.02 0.00 0.45 0.00 0.00 32.46 30.71 1y33 n ARG 186 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1y33 s ALA 187 N 0.19 3.21 0.45 5.13 0.00 -0.35 -4.84 121.76 125.56 1y33 s ALA 187 Ca 0.67 1.00 0.11 0.00 0.00 0.00 0.00 51.96 53.74 1y33 s ALA 187 Cb -0.53 -3.39 1.01 0.00 0.00 0.00 0.00 23.12 20.21 1y33 s ALA 187 CO 0.46 -0.52 2.08 0.66 0.00 0.00 0.00 175.76 178.43 1y33 h SER 188 N 2.79 0.25 1.13 0.00 4.64 -1.92 -0.94 113.55 119.50 1y33 h SER 188 Ca -0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1y33 h SER 188 Cb 1.23 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1y33 h SER 188 CO 0.63 0.21 0.00 2.22 -0.87 0.00 0.00 176.83 179.02 1y33 n PHE 189 N -4.47 0.83 -2.08 4.77 1.16 -1.26 -4.41 117.46 111.99 1y33 n PHE 189 Ca 0.00 0.27 -0.42 0.00 -1.87 0.00 0.00 57.45 55.43 1y33 n PHE 189 Cb 0.10 -0.94 -0.03 0.00 -1.61 0.00 0.00 39.48 37.00 1y33 n PHE 189 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1y33 s SER 190 N -4.32 6.73 0.78 5.98 0.15 -0.36 -0.85 113.70 121.82 1y33 s SER 190 Ca 0.08 2.28 -0.15 0.00 0.70 0.00 0.00 55.95 58.87 1y33 s SER 190 Cb 0.11 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1y33 s SER 190 CO 0.50 -0.80 0.83 -1.20 1.20 0.00 0.00 173.24 173.77 1y33 n SER 191 N 5.53 -0.23 -4.24 5.45 7.64 -0.36 -3.82 113.62 123.59 1y33 n SER 191 Ca 0.14 0.57 -0.13 0.00 1.01 0.00 0.00 58.87 60.46 1y33 n SER 191 Cb 0.42 -1.35 -0.10 0.00 -1.01 0.00 0.00 64.21 62.17 1y33 n SER 191 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1y33 s VAL 192 N -2.03 0.78 0.00 0.44 -7.23 -1.25 -4.88 120.40 106.23 1y33 s VAL 192 Ca 0.69 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1y33 s VAL 192 Cb -0.31 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1y33 s VAL 192 CO 0.55 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1y33 n GLY 193 N -0.21 3.19 0.25 2.32 0.00 -0.31 -0.12 105.19 110.31 1y33 n GLY 193 Ca -0.08 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.44 1y33 n GLY 193 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y33 h PRO 194 N 0.00 0.00 0.00 1.61 0.13 -1.88 -2.08 132.00 129.78 1y33 h PRO 194 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1y33 h PRO 194 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1y33 h PRO 194 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 1y33 n GLU 195 N -2.78 0.05 -2.10 0.86 4.71 -1.26 -4.80 120.64 115.32 1y33 n GLU 195 Ca -0.00 0.04 -0.42 0.00 -0.01 0.00 0.00 57.16 56.77 1y33 n GLU 195 Cb 0.18 -1.56 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 1y33 n GLU 195 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1y33 s LEU 196 N -3.28 4.35 -0.18 -4.62 2.96 -0.78 -4.47 118.68 112.66 1y33 s LEU 196 Ca 0.13 2.30 -0.17 0.00 -0.22 0.00 0.00 54.13 56.18 1y33 s LEU 196 Cb 0.18 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 1y33 s LEU 196 CO 0.54 -0.76 -0.34 -0.67 -1.32 0.00 0.00 176.35 173.80 1y33 n ASP 197 N 5.04 1.91 -4.20 3.68 2.03 -0.38 -4.30 116.55 120.33 1y33 n ASP 197 Ca 0.14 0.32 -0.12 0.00 0.52 0.00 0.00 54.79 55.65 1y33 n ASP 197 Cb 0.42 -0.73 -0.10 0.00 -0.72 0.00 0.00 41.12 39.99 1y33 n ASP 197 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1y33 s VAL 198 N -2.84 0.05 0.22 5.18 -7.23 -1.13 -0.38 120.40 114.26 1y33 s VAL 198 Ca -0.29 -1.99 0.11 0.00 -1.81 0.00 0.00 61.98 58.00 1y33 s VAL 198 Cb 0.05 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1y33 s VAL 198 CO 0.42 -0.08 -0.17 -0.04 -0.31 0.00 0.00 175.10 174.93 1y33 s MET 199 N -4.13 1.79 0.22 4.82 -1.94 -0.02 -1.26 119.30 118.78 1y33 s MET 199 Ca 0.36 -1.50 -0.11 0.00 -1.71 0.00 0.00 55.69 52.74 1y33 s MET 199 Cb 0.07 -1.95 -0.01 0.00 2.01 0.00 0.00 34.83 34.95 1y33 s MET 199 CO 0.10 0.39 0.40 0.00 -0.01 0.00 0.00 175.02 175.91 1y33 s ALA 200 N -1.94 -0.11 0.14 3.03 0.00 -0.37 -2.26 121.76 120.26 1y33 s ALA 200 Ca 0.25 -0.90 -0.32 0.00 0.00 0.00 0.00 51.96 50.99 1y33 s ALA 200 Cb -0.07 1.03 -0.12 0.00 0.00 0.00 0.00 23.12 23.96 1y33 s ALA 200 CO 0.14 -0.77 1.77 -2.30 0.00 0.00 0.00 175.76 174.59 1y33 n PRO 201 N -0.33 2.66 -0.92 0.00 -0.02 -1.26 -1.51 135.00 133.63 1y33 n PRO 201 Ca -0.03 0.96 0.01 0.00 -2.02 0.00 0.00 63.50 62.42 1y33 n PRO 201 Cb 0.63 -2.82 0.01 0.00 -0.02 0.00 0.00 33.50 31.29 1y33 n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y33 n GLY 202 N 4.04 0.72 3.18 -1.23 0.00 0.04 -3.32 105.19 108.62 1y33 n GLY 202 Ca 0.18 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1y33 n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y33 s VAL 203 N 0.00 2.01 -1.23 1.61 1.01 -1.23 -1.09 120.40 121.47 1y33 s VAL 203 Ca 0.14 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1y33 s VAL 203 Cb 0.16 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1y33 s VAL 203 CO -0.07 0.54 0.78 -0.24 0.00 0.00 0.00 175.10 176.11 1y33 n SER 204 N 3.86 -2.72 -4.52 3.32 2.88 -1.19 -4.83 113.62 110.42 1y33 n SER 204 Ca -0.20 -0.81 -0.42 0.00 -1.33 0.00 0.00 58.87 56.11 1y33 n SER 204 Cb 0.52 -4.25 -0.08 0.00 -0.75 0.00 0.00 64.21 59.66 1y33 n SER 204 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1y33 s ILE 205 N -3.56 4.96 0.13 2.46 -1.09 -0.49 -4.81 121.20 118.80 1y33 s ILE 205 Ca 0.14 0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.34 1y33 s ILE 205 Cb -0.04 -4.07 -0.07 0.00 -1.58 0.00 0.00 42.46 36.70 1y33 s ILE 205 CO 0.80 -0.41 1.12 -1.10 -1.23 0.00 0.00 174.94 174.11 1y33 s GLN 206 N 2.49 4.55 0.21 2.79 -1.52 -1.26 -1.79 119.66 125.11 1y33 s GLN 206 Ca 0.18 1.70 -0.07 0.00 -1.95 0.00 0.00 55.36 55.23 1y33 s GLN 206 Cb -0.15 -3.32 0.03 0.00 -0.22 0.00 0.00 33.01 29.35 1y33 s GLN 206 CO 0.15 -0.03 0.40 0.45 -0.25 0.00 0.00 175.29 176.01 1y33 n SER 207 N 2.96 -1.16 -4.76 5.90 2.88 -0.72 -4.86 113.62 113.86 1y33 n SER 207 Ca 0.05 -1.86 -0.40 0.00 -1.33 0.00 0.00 58.87 55.33 1y33 n SER 207 Cb 0.47 1.95 -0.04 0.00 -0.75 0.00 0.00 64.21 65.83 1y33 n SER 207 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1y33 s THR 208 N -2.54 3.58 0.10 2.46 -4.23 -1.26 -1.47 115.64 112.28 1y33 s THR 208 Ca 0.09 1.56 0.05 0.00 -1.18 0.00 0.00 61.69 62.21 1y33 s THR 208 Cb -0.02 -3.98 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 1y33 s THR 208 CO 0.07 0.35 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.60 1y33 s LEU 209 N -1.51 2.36 0.69 4.79 1.43 -0.14 -2.35 118.68 123.94 1y33 s LEU 209 Ca 0.45 -0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1y33 s LEU 209 Cb -0.30 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1y33 s LEU 209 CO 0.39 -0.13 1.12 -2.65 0.23 0.00 0.00 176.35 175.30 1y33 n PRO 210 N 0.81 0.72 -2.85 1.29 -0.02 -1.26 -1.72 135.00 131.97 1y33 n PRO 210 Ca -0.18 0.31 -0.08 0.00 -2.02 0.00 0.00 63.50 61.53 1y33 n PRO 210 Cb 0.56 -2.36 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1y33 n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y33 n GLY 211 N 0.98 0.43 3.63 -1.23 0.00 -1.26 -3.88 105.19 103.85 1y33 n GLY 211 Ca 0.14 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1y33 n GLY 211 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y33 n ASN 212 N -0.04 -1.55 -4.61 1.61 5.15 -1.23 -5.01 115.26 109.58 1y33 n ASN 212 Ca 0.00 -0.78 -0.29 0.00 -0.60 0.00 0.00 54.58 52.91 1y33 n ASN 212 Cb 0.52 -4.31 -0.10 0.00 -0.53 0.00 0.00 39.78 35.37 1y33 n ASN 212 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1y33 s LYS 213 N -5.80 2.00 0.06 1.20 -0.14 -0.70 -5.01 119.74 111.35 1y33 s LYS 213 Ca 0.02 -2.19 0.01 0.00 -1.36 0.00 0.00 55.97 52.44 1y33 s LYS 213 Cb -0.00 -1.44 -0.03 0.00 -1.68 0.00 0.00 37.83 34.67 1y33 s LYS 213 CO 0.79 -0.20 -0.05 0.71 -0.76 0.00 0.00 175.35 175.84 1y33 s TYR 214 N -2.87 0.60 -0.11 3.18 2.02 -1.26 -0.97 117.35 117.94 1y33 s TYR 214 Ca 0.24 -0.78 -0.32 0.00 -0.37 0.00 0.00 57.07 55.84 1y33 s TYR 214 Cb 0.06 -0.39 0.12 0.00 -0.40 0.00 0.00 41.96 41.36 1y33 s TYR 214 CO 0.12 -0.21 1.07 0.20 -1.57 0.00 0.00 175.55 175.17 1y33 s GLY 215 N -2.34 -0.36 -0.21 0.71 0.00 -0.54 -4.86 107.32 99.72 1y33 s GLY 215 Ca -0.00 1.38 -0.17 0.00 0.00 0.00 0.00 44.72 45.93 1y33 s GLY 215 CO -0.04 0.47 0.44 0.00 0.00 0.00 0.00 173.10 173.97 1y33 s ALA 216 N -2.67 3.56 0.21 3.20 0.00 -1.26 -1.75 121.76 123.04 1y33 s ALA 216 Ca 0.07 -0.52 0.09 0.00 0.00 0.00 0.00 51.96 51.60 1y33 s ALA 216 Cb -0.01 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1y33 s ALA 216 CO -0.06 -0.41 -0.16 0.71 0.00 0.00 0.00 175.76 175.83 1y33 s TYR 217 N 1.56 1.84 0.08 0.00 1.51 -0.74 -4.79 117.35 116.80 1y33 s TYR 217 Ca 0.20 -0.50 0.10 0.00 -1.01 0.00 0.00 57.07 55.86 1y33 s TYR 217 Cb -0.15 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1y33 s TYR 217 CO 0.09 0.41 -0.25 -0.80 -1.11 0.00 0.00 175.55 173.89 1y33 s ASN 218 N -3.16 3.36 0.00 2.29 0.01 -1.26 -1.39 114.94 114.78 1y33 s ASN 218 Ca 0.22 -0.62 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 1y33 s ASN 218 Cb -0.03 -0.33 0.00 0.00 0.41 0.00 0.00 41.25 41.31 1y33 s ASN 218 CO 0.08 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.51 1y33 n GLY 219 N 1.37 3.19 0.22 0.66 0.00 -0.25 -4.82 105.19 105.56 1y33 n GLY 219 Ca -0.17 -1.14 0.15 0.00 0.00 0.00 0.00 46.02 44.86 1y33 n GLY 219 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1y33 h THR 220 N 1.00 0.00 -0.99 2.61 1.35 -1.84 -2.14 112.91 112.89 1y33 h THR 220 Ca 0.00 -0.30 0.18 0.00 -0.55 0.00 0.00 66.41 65.75 1y33 h THR 220 Cb 0.00 1.15 -0.10 0.00 -1.73 0.00 0.00 68.15 67.47 1y33 h THR 220 CO 0.00 0.00 0.61 0.28 -0.25 0.00 0.00 175.52 176.16 1y33 h SER 221 N 0.00 0.76 1.11 5.36 0.02 -1.88 -2.09 113.55 116.82 1y33 h SER 221 Ca 0.00 0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.85 1y33 h SER 221 Cb 0.35 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1y33 h SER 221 CO 0.00 0.29 -0.91 0.24 -1.14 0.00 0.00 176.83 175.30 1y33 h MET 222 N 0.75 0.00 -0.06 3.45 2.07 -1.71 -3.36 114.93 116.07 1y33 h MET 222 Ca 0.56 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 58.09 1y33 h MET 222 Cb 0.89 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.63 1y33 h MET 222 CO -0.34 0.78 -0.33 0.00 1.07 0.00 0.00 176.91 178.08 1y33 h ALA 223 N 1.18 0.13 -0.48 6.32 0.00 -1.38 -3.35 119.26 121.67 1y33 h ALA 223 Ca -0.03 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.52 1y33 h ALA 223 Cb 1.66 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.35 1y33 h ALA 223 CO 0.10 0.20 -0.19 1.03 0.00 0.00 0.00 179.25 180.39 1y33 h SER 224 N -0.16 -0.65 0.77 0.00 0.87 -1.53 -1.44 113.55 111.41 1y33 h SER 224 Ca -0.02 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1y33 h SER 224 Cb 0.99 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1y33 h SER 224 CO 0.07 -0.22 0.00 1.55 -0.53 0.00 0.00 176.83 177.70 1y33 h PRO 225 N -0.08 0.00 -0.85 2.24 0.13 -1.72 -0.49 132.00 131.23 1y33 h PRO 225 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1y33 h PRO 225 Cb 0.43 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 1y33 h PRO 225 CO -0.54 0.00 0.54 0.45 -0.23 0.00 0.00 178.00 178.23 1y33 h HIS 226 N 0.00 1.09 -0.15 1.56 3.86 -1.40 0.12 115.15 120.23 1y33 h HIS 226 Ca 0.00 0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 59.00 1y33 h HIS 226 Cb 0.38 -0.36 0.01 0.00 1.06 0.00 0.00 27.41 28.50 1y33 h HIS 226 CO 0.00 0.70 -0.77 0.28 0.86 0.00 0.00 177.93 179.00 1y33 h VAL 227 N 1.16 1.28 -0.43 2.45 2.07 -1.18 -0.08 116.25 121.51 1y33 h VAL 227 Ca 0.31 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.82 1y33 h VAL 227 Cb -0.10 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1y33 h VAL 227 CO -0.06 0.62 0.09 0.00 0.02 0.00 0.00 177.57 178.24 1y33 h ALA 228 N 0.54 0.57 -0.91 1.67 0.00 -1.10 -0.16 119.26 119.88 1y33 h ALA 228 Ca -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1y33 h ALA 228 Cb 1.40 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1y33 h ALA 228 CO 0.16 0.26 0.56 0.78 0.00 0.00 0.00 179.25 181.01 1y33 h GLY 229 N 0.56 1.32 1.20 0.00 0.00 -0.98 -2.10 103.07 103.07 1y33 h GLY 229 Ca 0.13 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1y33 h GLY 229 CO 0.00 0.52 0.03 0.00 0.00 0.00 0.00 176.54 177.10 1y33 h ALA 230 N 1.36 0.97 -0.97 3.60 0.00 -0.57 -1.01 119.26 122.64 1y33 h ALA 230 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y33 h ALA 230 Cb -0.06 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1y33 h ALA 230 CO -0.06 0.63 0.61 0.00 0.00 0.00 0.00 179.25 180.42 1y33 h ALA 231 N 1.13 1.25 -0.50 0.00 0.00 -0.73 -0.72 119.26 119.68 1y33 h ALA 231 Ca 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1y33 h ALA 231 Cb 0.48 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1y33 h ALA 231 CO 0.02 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.08 1y33 h ALA 232 N 1.34 0.66 -0.24 0.00 0.00 -0.84 -1.22 119.26 118.95 1y33 h ALA 232 Ca 0.35 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1y33 h ALA 232 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1y33 h ALA 232 CO -0.07 0.33 -0.03 -0.07 0.00 0.00 0.00 179.25 179.41 1y33 h LEU 233 N 0.68 -0.16 -0.44 0.00 3.38 -0.80 -0.91 115.31 117.06 1y33 h LEU 233 Ca 0.16 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1y33 h LEU 233 Cb 0.29 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1y33 h LEU 233 CO -0.00 -0.05 0.27 0.40 0.09 0.00 0.00 178.44 179.15 1y33 h ILE 234 N 0.04 1.07 -0.34 1.22 2.04 -0.98 -2.10 117.51 118.45 1y33 h ILE 234 Ca 0.12 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1y33 h ILE 234 Cb 0.16 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1y33 h ILE 234 CO -0.22 0.10 0.02 -0.07 0.00 0.00 0.00 178.15 177.98 1y33 h LEU 235 N 0.54 0.49 -1.25 1.44 3.38 -1.11 0.14 115.31 118.93 1y33 h LEU 235 Ca 0.17 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1y33 h LEU 235 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1y33 h LEU 235 CO -0.07 0.54 -0.37 0.77 0.09 0.00 0.00 178.44 179.40 1y33 h SER 236 N 0.51 0.00 0.67 -0.43 4.64 -0.70 -1.08 113.55 117.15 1y33 h SER 236 Ca 0.11 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.17 1y33 h SER 236 Cb 0.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 1y33 h SER 236 CO 0.01 0.37 -1.37 0.50 -0.87 0.00 0.00 176.83 175.46 1y33 h LYS 237 N 0.00 0.09 -2.17 4.77 3.64 -0.89 -3.41 116.57 118.61 1y33 h LYS 237 Ca -0.00 -0.16 -0.58 0.00 -1.27 0.00 0.00 60.65 58.63 1y33 h LYS 237 Cb 0.67 0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 32.15 1y33 h LYS 237 CO 0.05 0.91 -0.83 0.72 -2.27 0.00 0.00 179.45 178.03 1y33 n HIS 238 N -3.31 1.71 0.24 1.91 8.25 0.45 -4.98 115.22 119.49 1y33 n HIS 238 Ca -0.10 -3.87 0.11 0.00 -0.26 0.00 0.00 57.72 53.59 1y33 n HIS 238 Cb 1.01 -0.43 0.52 0.00 1.12 0.00 0.00 29.99 32.20 1y33 n HIS 238 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1y33 n PRO 239 N 1.24 0.15 -0.64 -0.41 -0.02 -0.42 -1.58 135.00 133.31 1y33 n PRO 239 Ca 0.26 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 1y33 n PRO 239 Cb 0.46 -1.90 0.25 0.00 -0.02 0.00 0.00 33.50 32.30 1y33 n PRO 239 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1y33 n ASN 240 N -2.20 3.70 -4.75 2.55 6.94 -1.26 -4.92 115.26 115.31 1y33 n ASN 240 Ca -0.00 -3.25 -0.40 0.00 -0.02 0.00 0.00 54.58 50.91 1y33 n ASN 240 Cb 0.10 -0.61 -0.06 0.00 -2.36 0.00 0.00 39.78 36.86 1y33 n ASN 240 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1y33 s TRP 241 N -2.97 3.91 0.81 -2.53 0.52 -0.62 -5.06 118.94 113.00 1y33 s TRP 241 Ca 0.45 1.76 -0.12 0.00 0.02 0.00 0.00 56.10 58.22 1y33 s TRP 241 Cb 0.38 -2.91 0.08 0.00 -1.15 0.00 0.00 33.47 29.87 1y33 s TRP 241 CO 0.07 0.42 1.15 0.95 0.02 0.00 0.00 176.95 179.57 1y33 s THR 242 N -0.86 2.29 0.30 2.01 -4.23 -1.26 -4.84 115.64 109.05 1y33 s THR 242 Ca 0.40 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1y33 s THR 242 Cb -0.24 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 70.84 1y33 s THR 242 CO 0.29 -0.12 1.94 -0.55 -0.54 0.00 0.00 174.62 175.64 1y33 h ASN 243 N -1.08 0.93 -0.58 3.99 -1.07 -1.91 -0.42 115.58 115.44 1y33 h ASN 243 Ca -0.47 -0.01 0.08 0.00 0.07 0.00 0.00 56.30 55.97 1y33 h ASN 243 Cb 1.32 -0.21 -0.07 0.00 -2.07 0.00 0.00 38.32 37.28 1y33 h ASN 243 CO 0.64 0.64 0.22 0.74 0.07 0.00 0.00 177.43 179.75 1y33 h THR 244 N 1.08 0.81 -0.30 6.14 2.02 -1.93 0.42 112.91 121.15 1y33 h THR 244 Ca 0.34 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 67.23 1y33 h THR 244 Cb 0.02 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1y33 h THR 244 CO -0.10 0.08 -0.41 1.56 0.37 0.00 0.00 175.52 177.01 1y33 h GLN 245 N 0.42 0.80 -0.43 6.66 4.20 -1.75 -1.12 115.11 123.89 1y33 h GLN 245 Ca 0.29 -0.47 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1y33 h GLN 245 Cb 0.32 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1y33 h GLN 245 CO -0.28 1.10 0.25 0.28 -0.67 0.00 0.00 178.83 179.52 1y33 h VAL 246 N 0.57 1.14 -0.06 -0.54 2.07 -0.77 0.08 116.25 118.75 1y33 h VAL 246 Ca 0.03 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1y33 h VAL 246 Cb 1.01 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1y33 h VAL 246 CO 0.10 0.14 0.03 -0.09 0.02 0.00 0.00 177.57 177.77 1y33 h ARG 247 N 0.56 0.08 -0.83 1.57 2.43 -0.86 -1.97 114.38 115.35 1y33 h ARG 247 Ca 0.15 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1y33 h ARG 247 Cb 0.01 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1y33 h ARG 247 CO -0.03 0.10 0.50 0.66 -1.51 0.00 0.00 179.97 179.69 1y33 h SER 248 N 0.03 1.00 -0.67 -3.80 4.64 -1.09 -1.32 113.55 112.35 1y33 h SER 248 Ca 0.02 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1y33 h SER 248 Cb 0.04 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1y33 h SER 248 CO -0.00 0.78 0.24 0.77 -0.87 0.00 0.00 176.83 177.74 1y33 h SER 249 N 1.15 0.97 -0.33 4.97 4.64 -0.53 0.16 113.55 124.58 1y33 h SER 249 Ca 0.30 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 1y33 h SER 249 Cb -0.04 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 1y33 h SER 249 CO -0.06 0.89 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.45 1y33 h LEU 250 N 1.01 0.82 -0.74 5.97 3.38 -0.96 -3.15 115.31 121.65 1y33 h LEU 250 Ca 0.23 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1y33 h LEU 250 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1y33 h LEU 250 CO -0.01 1.10 -0.14 -0.33 0.09 0.00 0.00 178.44 179.15 1y33 h GLU 251 N 0.55 0.82 -0.00 1.13 5.08 -0.90 -3.19 114.58 118.07 1y33 h GLU 251 Ca 0.06 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1y33 h GLU 251 Cb 0.84 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1y33 h GLU 251 CO 0.07 0.91 -0.09 0.09 -1.00 0.00 0.00 179.01 178.99 1y33 n ASN 252 N -4.15 0.37 -0.07 1.42 5.03 0.53 -3.81 115.26 114.58 1y33 n ASN 252 Ca 0.01 -0.49 0.02 0.00 0.87 0.00 0.00 54.58 54.99 1y33 n ASN 252 Cb 0.39 -0.11 0.02 0.00 -1.02 0.00 0.00 39.78 39.06 1y33 n ASN 252 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1y33 n THR 253 N -1.03 0.69 -0.76 3.41 -2.24 -1.19 -3.21 114.28 109.96 1y33 n THR 253 Ca 0.14 -0.75 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 1y33 n THR 253 Cb 0.27 0.55 0.16 0.00 -2.10 0.00 0.00 70.33 69.20 1y33 n THR 253 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1y33 n THR 254 N -0.42 0.35 -3.03 4.28 -2.24 -1.21 -4.23 114.28 107.79 1y33 n THR 254 Ca 0.02 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1y33 n THR 254 Cb 0.44 -1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 1y33 n THR 254 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1y33 s THR 255 N -2.53 4.81 0.35 4.28 2.01 0.26 -3.07 115.64 121.74 1y33 s THR 255 Ca 0.67 0.76 -0.28 0.00 0.31 0.00 0.00 61.69 63.16 1y33 s THR 255 Cb -0.24 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.04 1y33 s THR 255 CO 0.58 -0.36 1.24 -0.54 -0.69 0.00 0.00 174.62 174.85 1y33 s LYS 256 N 2.90 4.29 0.00 4.92 -0.14 -1.26 -1.18 119.74 129.28 1y33 s LYS 256 Ca 0.28 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 1y33 s LYS 256 Cb -0.14 -2.97 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 1y33 s LYS 256 CO 0.15 -0.19 0.00 1.28 -0.76 0.00 0.00 175.35 175.84 1y33 n LEU 257 N 0.64 0.00 0.00 3.17 4.77 -1.26 -4.90 117.00 119.42 1y33 n LEU 257 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1y33 n LEU 257 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1y33 n LEU 257 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1y33 n GLY 258 N 5.00 1.07 3.68 -0.72 0.00 -1.26 -5.01 105.19 107.95 1y33 n GLY 258 Ca 0.00 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 1y33 n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y33 n ASP 259 N 0.00 2.53 0.31 1.61 2.03 -1.26 -4.68 116.55 117.09 1y33 n ASP 259 Ca 0.00 1.19 0.20 0.00 0.52 0.00 0.00 54.79 56.70 1y33 n ASP 259 Cb 0.00 -1.44 0.97 0.00 -0.72 0.00 0.00 41.12 39.93 1y33 n ASP 259 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1y33 h SER 260 N 2.77 0.00 -0.15 1.67 4.64 -1.92 0.01 113.55 120.57 1y33 h SER 260 Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 1y33 h SER 260 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 1y33 h SER 260 CO 0.65 0.02 -0.04 0.15 -0.87 0.00 0.00 176.83 176.73 1y33 h PHE 261 N 0.00 0.45 0.00 4.77 3.57 -1.87 -0.11 116.94 123.76 1y33 h PHE 261 Ca -0.00 -0.05 -0.26 0.00 3.53 0.00 0.00 57.97 61.19 1y33 h PHE 261 Cb 0.22 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1y33 h PHE 261 CO 0.00 0.48 -2.18 0.66 -2.23 0.00 0.00 178.31 175.04 1y33 n TYR 262 N -4.28 0.00 -0.02 0.41 4.01 -0.48 -1.16 117.16 115.65 1y33 n TYR 262 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1y33 n TYR 262 Cb 0.25 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 1y33 n TYR 262 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1y33 n TYR 263 N -2.58 0.00 -1.46 -0.72 4.01 -0.13 -4.94 117.16 111.34 1y33 n TYR 263 Ca -0.24 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 1y33 n TYR 263 Cb 0.97 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 1y33 n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y33 n GLY 264 N -0.06 2.10 0.00 2.72 0.00 -0.05 -1.29 105.19 108.61 1y33 n GLY 264 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1y33 n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y33 n LYS 265 N 14.00 0.32 0.00 1.61 5.02 0.49 -4.12 118.16 135.48 1y33 n LYS 265 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1y33 n LYS 265 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1y33 n LYS 265 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y33 n GLY 266 N 0.74 -0.87 3.71 0.72 0.00 -0.41 -3.99 105.19 105.11 1y33 n GLY 266 Ca 0.11 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1y33 n GLY 266 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y33 s LEU 267 N 0.00 4.38 0.68 0.99 2.96 -0.33 -0.84 118.68 126.52 1y33 s LEU 267 Ca 0.00 1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 55.35 1y33 s LEU 267 Cb 0.00 -3.50 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1y33 s LEU 267 CO 0.00 -0.21 1.23 0.27 -1.32 0.00 0.00 176.35 176.32 1y33 s ILE 268 N 0.82 2.31 -0.31 6.68 -4.36 -0.96 -0.58 121.20 124.81 1y33 s ILE 268 Ca 0.49 0.17 -0.03 0.00 -0.26 0.00 0.00 60.65 61.03 1y33 s ILE 268 Cb -0.21 -2.90 0.10 0.00 1.25 0.00 0.00 42.46 40.71 1y33 s ILE 268 CO 0.27 -0.06 0.13 0.21 0.24 0.00 0.00 174.94 175.73 1y33 s ASN 269 N -1.77 3.62 0.35 4.36 3.84 -1.26 -4.56 114.94 119.52 1y33 s ASN 269 Ca 0.77 -1.51 0.18 0.00 0.21 0.00 0.00 52.86 52.51 1y33 s ASN 269 Cb -0.32 -0.51 0.52 0.00 -0.55 0.00 0.00 41.25 40.39 1y33 s ASN 269 CO 0.41 -0.42 1.65 1.62 -2.79 0.00 0.00 177.10 177.58 1y33 h VAL 270 N 6.26 0.89 0.17 -5.21 3.04 -1.37 -1.65 116.25 118.39 1y33 h VAL 270 Ca -0.15 -1.73 0.01 0.00 -1.01 0.00 0.00 66.70 63.81 1y33 h VAL 270 Cb 1.00 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 32.34 1y33 h VAL 270 CO 0.43 0.41 -0.20 -0.61 -1.01 0.00 0.00 177.57 176.60 1y33 h GLN 271 N 0.00 -0.40 -0.69 4.17 4.15 -1.74 -1.12 115.11 119.48 1y33 h GLN 271 Ca -0.00 0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 1y33 h GLN 271 Cb 1.04 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.79 1y33 h GLN 271 CO 0.05 -0.27 0.21 0.00 -1.93 0.00 0.00 178.83 176.90 1y33 h ALA 272 N 0.35 0.91 -0.79 3.38 0.00 -1.87 -3.03 119.26 118.20 1y33 h ALA 272 Ca 0.01 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1y33 h ALA 272 Cb 0.40 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1y33 h ALA 272 CO -0.07 0.59 0.52 0.00 0.00 0.00 0.00 179.25 180.29 1y33 h ALA 273 N 1.09 1.62 -0.26 0.00 0.00 -1.09 -2.58 119.26 118.03 1y33 h ALA 273 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1y33 h ALA 273 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1y33 h ALA 273 CO -0.01 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1y33 n ALA 274 N -2.43 2.48 -1.98 0.00 0.00 -0.44 -4.81 120.51 113.33 1y33 n ALA 274 Ca 0.11 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.72 1y33 n ALA 274 Cb 0.20 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.67 1y33 n ALA 274 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y33 s GLN 275 N -1.66 2.55 0.06 0.00 -1.52 -0.97 -5.00 119.66 113.11 1y33 s GLN 275 Ca 0.28 -0.05 -0.24 0.00 -1.95 0.00 0.00 55.36 53.40 1y33 s GLN 275 Cb 0.15 -2.18 -0.16 0.00 -0.22 0.00 0.00 33.01 30.59 1y33 s GLN 275 CO 0.21 -1.02 1.61 0.45 -0.25 0.00 0.00 175.29 176.28 1y33 h HIS 276 N -0.46 0.01 -3.31 0.91 3.86 -1.88 -3.44 115.15 110.84 1y33 h HIS 276 Ca -0.45 -0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.12 1y33 h HIS 276 Cb 1.29 -0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.57 1y33 h HIS 276 CO 0.41 0.14 -0.63 -1.01 0.86 0.00 0.00 177.93 177.70 1y33 s HIS 277 N -5.64 3.11 -0.09 2.45 3.76 -1.26 -5.10 115.29 112.51 1y33 s HIS 277 Ca -0.14 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 1y33 s HIS 277 Cb 0.05 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.78 1y33 s HIS 277 CO 0.67 0.14 -0.13 -1.01 -0.85 0.00 0.00 174.74 173.56 1y33 s HIS 278 N 0.04 2.79 0.22 1.40 0.09 -1.26 -4.98 115.29 113.59 1y33 s HIS 278 Ca 0.02 -0.38 -0.17 0.00 -0.00 0.00 0.00 55.06 54.52 1y33 s HIS 278 Cb -0.13 -1.75 0.02 0.00 -0.00 0.00 0.00 32.58 30.72 1y33 s HIS 278 CO 0.02 -0.00 0.55 -3.38 -0.00 0.00 0.00 174.74 171.93 1y33 s HIS 279 N -0.17 -0.05 0.40 1.40 -3.43 -1.24 -4.96 115.29 107.24 1y33 s HIS 279 Ca -0.00 -0.32 -0.23 0.00 -0.80 0.00 0.00 55.06 53.72 1y33 s HIS 279 Cb -0.13 0.42 -0.10 0.00 -1.43 0.00 0.00 32.58 31.33 1y33 s HIS 279 CO 0.03 -0.99 0.97 -1.01 -2.00 0.00 0.00 174.74 171.73 1y33 s HIS 280 N -3.91 3.39 -1.30 0.38 3.76 -1.20 -4.36 115.29 112.05 1y33 s HIS 280 Ca 0.12 1.66 0.10 0.00 -0.15 0.00 0.00 55.06 56.79 1y33 s HIS 280 Cb -0.02 -2.92 0.08 0.00 1.11 0.00 0.00 32.58 30.84 1y33 s HIS 280 CO 0.01 -0.13 0.83 0.72 -0.85 0.00 0.00 174.74 175.33