#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2og1 s ALA 3 N 0.00 2.48 -0.43 2.41 0.00 -1.26 -4.97 121.76 119.99 2og1 s ALA 3 Ca 0.00 0.96 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 2og1 s ALA 3 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2og1 s ALA 3 CO 0.00 -1.27 0.40 -1.17 0.00 0.00 0.00 175.76 173.72 2og1 s LEU 4 N -4.27 5.11 0.25 0.00 0.20 -1.26 -4.79 118.68 113.92 2og1 s LEU 4 Ca 0.76 -0.90 0.01 0.00 0.69 0.00 0.00 54.13 54.70 2og1 s LEU 4 Cb -0.29 -2.27 -0.04 0.00 -0.43 0.00 0.00 46.19 43.15 2og1 s LEU 4 CO 0.35 -0.57 0.14 0.42 -0.29 0.00 0.00 176.35 176.40 2og1 s THR 5 N 1.92 0.24 0.17 3.68 -4.23 -1.26 -5.03 115.64 111.13 2og1 s THR 5 Ca 0.08 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.45 2og1 s THR 5 Cb -0.19 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.16 2og1 s THR 5 CO 0.11 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 175.94 2og1 h GLU 6 N 2.41 0.63 -0.34 3.99 4.81 -1.99 -2.68 114.58 121.41 2og1 h GLU 6 Ca -0.35 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.78 2og1 h GLU 6 Cb 1.25 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2og1 h GLU 6 CO 0.53 0.42 -0.04 1.03 -0.73 0.00 0.00 179.01 180.22 2og1 h SER 7 N 0.65 0.63 0.27 1.04 0.87 -1.96 -2.45 113.55 112.60 2og1 h SER 7 Ca 0.19 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2og1 h SER 7 Cb -0.05 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2og1 h SER 7 CO -0.05 0.82 -0.06 0.77 -0.53 0.00 0.00 176.83 177.77 2og1 h SER 8 N 0.43 0.00 0.05 6.23 4.64 -1.84 -2.42 113.55 120.64 2og1 h SER 8 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2og1 h SER 8 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2og1 h SER 8 CO 0.03 0.06 -0.77 0.35 -0.87 0.00 0.00 176.83 175.63 2og1 n THR 9 N -3.57 0.00 -2.06 2.95 -2.24 -1.02 -4.93 114.28 103.41 2og1 n THR 9 Ca -0.02 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 2og1 n THR 9 Cb 0.18 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 2og1 n THR 9 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2og1 s SER 10 N -2.83 6.71 0.15 3.42 0.15 -0.91 -0.76 113.70 119.63 2og1 s SER 10 Ca 0.12 2.31 -0.06 0.00 0.70 0.00 0.00 55.95 59.02 2og1 s SER 10 Cb 0.17 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.90 2og1 s SER 10 CO 0.75 -0.82 0.20 -0.54 1.20 0.00 0.00 173.24 174.03 2og1 s LYS 11 N 2.64 1.07 0.04 5.44 1.02 0.09 -4.97 119.74 125.06 2og1 s LYS 11 Ca 0.70 -1.27 0.02 0.00 0.02 0.00 0.00 55.97 55.44 2og1 s LYS 11 Cb -0.36 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.25 2og1 s LYS 11 CO 0.30 -0.36 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.22 2og1 s PHE 12 N -4.00 0.70 -0.11 3.18 0.40 -1.26 -1.22 117.98 115.67 2og1 s PHE 12 Ca 0.20 -0.49 -0.10 0.00 -0.60 0.00 0.00 56.93 55.94 2og1 s PHE 12 Cb 0.05 -0.42 0.03 0.00 0.51 0.00 0.00 43.02 43.19 2og1 s PHE 12 CO 0.01 -0.07 0.30 0.54 0.70 0.00 0.00 175.22 176.69 2og1 s VAL 13 N -1.34 -0.00 0.06 -0.44 0.11 -0.40 -4.98 120.40 113.40 2og1 s VAL 13 Ca -0.09 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.72 2og1 s VAL 13 Cb -0.10 -0.43 -0.06 0.00 -1.53 0.00 0.00 36.38 34.27 2og1 s VAL 13 CO 0.00 0.00 0.71 -0.54 -3.33 0.00 0.00 175.10 171.95 2og1 s LYS 14 N 0.17 4.44 0.23 1.54 -0.14 -1.26 -0.92 119.74 123.79 2og1 s LYS 14 Ca -0.00 0.97 0.12 0.00 -1.36 0.00 0.00 55.97 55.70 2og1 s LYS 14 Cb -0.02 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.75 2og1 s LYS 14 CO 0.00 0.38 -0.22 0.96 -0.76 0.00 0.00 175.35 175.71 2og1 s ILE 15 N -0.36 2.43 -0.04 2.17 -4.36 0.19 -4.86 121.20 116.38 2og1 s ILE 15 Ca 0.35 -2.18 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2og1 s ILE 15 Cb -0.20 -2.21 0.03 0.00 1.25 0.00 0.00 42.46 41.32 2og1 s ILE 15 CO 0.22 -0.23 0.02 0.20 0.24 0.00 0.00 174.94 175.39 2og1 s ASN 16 N -3.02 0.89 0.05 4.36 0.01 -1.26 -1.85 114.94 114.12 2og1 s ASN 16 Ca 0.25 -0.01 -0.06 0.00 -0.71 0.00 0.00 52.86 52.33 2og1 s ASN 16 Cb -0.07 -0.24 0.02 0.00 0.41 0.00 0.00 41.25 41.37 2og1 s ASN 16 CO 0.12 -0.17 0.28 -0.62 -1.51 0.00 0.00 177.10 175.20 2og1 n GLU 17 N 4.71 0.17 -1.73 -0.60 -0.58 -0.57 -4.66 120.64 117.39 2og1 n GLU 17 Ca -0.15 -0.40 -0.43 0.00 -0.42 0.00 0.00 57.16 55.76 2og1 n GLU 17 Cb 0.50 0.54 -0.03 0.00 -0.57 0.00 0.00 31.44 31.88 2og1 n GLU 17 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2og1 s LYS 18 N -2.01 3.62 0.00 3.49 2.20 -1.26 -0.90 119.74 124.88 2og1 s LYS 18 Ca 0.06 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.84 2og1 s LYS 18 Cb -0.01 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.08 2og1 s LYS 18 CO 0.01 -1.54 0.00 0.41 -0.36 0.00 0.00 175.35 173.88 2og1 n GLY 19 N 5.11 0.73 2.91 5.54 0.00 -1.26 -4.92 105.19 113.30 2og1 n GLY 19 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 2og1 n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2og1 s PHE 20 N -2.89 0.82 -0.16 1.61 0.40 -0.08 -5.09 117.98 112.58 2og1 s PHE 20 Ca 0.00 -0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 2og1 s PHE 20 Cb 0.00 -0.70 0.05 0.00 0.51 0.00 0.00 43.02 42.89 2og1 s PHE 20 CO 0.00 -0.19 0.05 0.45 0.70 0.00 0.00 175.22 176.23 2og1 s SER 21 N 0.85 2.46 -1.50 1.36 0.15 -1.26 -1.52 113.70 114.26 2og1 s SER 21 Ca -0.12 -0.61 -0.09 0.00 0.70 0.00 0.00 55.95 55.83 2og1 s SER 21 Cb -0.15 -0.42 0.06 0.00 -1.71 0.00 0.00 66.02 63.81 2og1 s SER 21 CO 0.01 -0.31 0.74 -0.67 1.20 0.00 0.00 173.24 174.21 2og1 n ASP 22 N 5.16 -2.61 -4.72 5.45 2.03 -0.77 -4.92 116.55 116.17 2og1 n ASP 22 Ca -0.08 -0.90 -0.39 0.00 0.52 0.00 0.00 54.79 53.95 2og1 n ASP 22 Cb 0.48 -3.46 -0.05 0.00 -0.72 0.00 0.00 41.12 37.37 2og1 n ASP 22 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2og1 s PHE 23 N -3.54 3.55 -0.19 -0.67 5.36 -0.91 -4.78 117.98 116.80 2og1 s PHE 23 Ca 0.38 1.08 -0.23 0.00 -0.96 0.00 0.00 56.93 57.20 2og1 s PHE 23 Cb -0.20 -2.68 -0.02 0.00 -0.34 0.00 0.00 43.02 39.79 2og1 s PHE 23 CO 0.86 0.14 0.75 1.21 -1.46 0.00 0.00 175.22 176.72 2og1 s ASN 24 N 0.67 6.83 -0.17 6.13 2.47 -1.26 -0.63 114.94 128.97 2og1 s ASN 24 Ca 0.32 1.02 -0.03 0.00 0.42 0.00 0.00 52.86 54.59 2og1 s ASN 24 Cb -0.16 -2.41 -0.02 0.00 -1.45 0.00 0.00 41.25 37.21 2og1 s ASN 24 CO 0.14 -0.36 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.46 2og1 s ILE 25 N 2.14 3.41 0.07 -5.21 -1.09 -0.10 -1.22 121.20 119.20 2og1 s ILE 25 Ca 0.34 -0.51 -0.09 0.00 -2.23 0.00 0.00 60.65 58.16 2og1 s ILE 25 Cb -0.16 -2.50 -0.06 0.00 -1.58 0.00 0.00 42.46 38.16 2og1 s ILE 25 CO 0.11 0.47 0.38 -2.28 -1.23 0.00 0.00 174.94 172.39 2og1 s HIS 26 N 0.82 3.58 0.19 3.97 5.65 -1.26 -1.28 115.29 126.95 2og1 s HIS 26 Ca -0.02 0.74 -0.16 0.00 0.25 0.00 0.00 55.06 55.87 2og1 s HIS 26 Cb -0.15 -2.13 0.02 0.00 -1.18 0.00 0.00 32.58 29.15 2og1 s HIS 26 CO 0.01 0.53 0.49 1.52 -0.65 0.00 0.00 174.74 176.64 2og1 s TYR 27 N -1.40 -0.06 -0.15 3.88 -0.85 -0.36 -1.26 117.35 117.15 2og1 s TYR 27 Ca 0.33 -0.28 0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2og1 s TYR 27 Cb -0.14 0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.55 2og1 s TYR 27 CO 0.18 -0.89 -0.20 -0.80 -1.52 0.00 0.00 175.55 172.32 2og1 s ASN 28 N -2.88 3.01 0.03 -0.18 -0.87 -0.19 -0.73 114.94 113.12 2og1 s ASN 28 Ca 0.10 -0.59 0.04 0.00 -1.57 0.00 0.00 52.86 50.84 2og1 s ASN 28 Cb -0.00 -1.39 -0.02 0.00 -0.02 0.00 0.00 41.25 39.82 2og1 s ASN 28 CO -0.03 0.04 -0.12 -0.70 -2.57 0.00 0.00 177.10 173.73 2og1 s GLU 29 N 0.99 0.81 0.13 -0.60 2.12 0.06 -0.28 118.70 121.93 2og1 s GLU 29 Ca -0.03 -0.65 -0.24 0.00 0.36 0.00 0.00 54.97 54.41 2og1 s GLU 29 Cb -0.15 -0.77 0.07 0.00 0.26 0.00 0.00 34.13 33.55 2og1 s GLU 29 CO -0.05 0.19 0.64 0.00 -0.54 0.00 0.00 175.26 175.49 2og1 s ALA 30 N -0.78 -1.64 0.00 6.30 0.00 -0.75 -4.55 121.76 120.35 2og1 s ALA 30 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2og1 s ALA 30 Cb -0.07 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2og1 s ALA 30 CO 0.01 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2og1 n GLY 31 N -0.27 -0.20 3.14 0.00 0.00 -1.26 -0.21 105.19 106.39 2og1 n GLY 31 Ca -0.16 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 2og1 n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2og1 s ASN 32 N -2.09 -0.07 0.00 1.61 0.01 -1.21 -4.52 114.94 108.67 2og1 s ASN 32 Ca 0.00 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 2og1 s ASN 32 Cb 0.00 0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.94 2og1 s ASN 32 CO 0.00 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 2og1 n GLY 33 N 1.70 0.52 3.76 0.66 0.00 -1.26 -3.64 105.19 106.93 2og1 n GLY 33 Ca -0.21 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 2og1 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2og1 s GLU 34 N -0.93 3.70 -0.01 1.61 2.02 -1.26 -4.21 118.70 119.63 2og1 s GLU 34 Ca 0.00 2.28 -0.23 0.00 0.02 0.00 0.00 54.97 57.04 2og1 s GLU 34 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.56 2og1 s GLU 34 CO 0.00 -0.76 0.68 0.99 0.02 0.00 0.00 175.26 176.19 2og1 s THR 35 N -1.25 4.89 -0.17 3.63 2.01 -1.26 -0.72 115.64 122.77 2og1 s THR 35 Ca 0.61 1.42 0.00 0.00 0.31 0.00 0.00 61.69 64.04 2og1 s THR 35 Cb -0.41 -4.02 0.04 0.00 0.01 0.00 0.00 72.50 68.12 2og1 s THR 35 CO 0.52 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.01 2og1 s VAL 36 N 0.12 1.44 -0.24 3.82 1.01 0.10 -0.29 120.40 126.36 2og1 s VAL 36 Ca 0.35 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 2og1 s VAL 36 Cb -0.19 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2og1 s VAL 36 CO 0.19 0.26 0.07 -0.63 0.00 0.00 0.00 175.10 174.98 2og1 s ILE 37 N 1.51 4.37 -0.19 2.22 1.01 0.08 -1.35 121.20 128.86 2og1 s ILE 37 Ca 0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2og1 s ILE 37 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2og1 s ILE 37 CO -0.09 0.36 0.08 -0.04 0.00 0.00 0.00 174.94 175.25 2og1 s MET 38 N 1.38 4.01 -0.17 2.79 -1.94 0.29 -1.39 119.30 124.27 2og1 s MET 38 Ca 0.05 -0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 53.69 2og1 s MET 38 Cb -0.15 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.41 2og1 s MET 38 CO 0.03 0.26 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.72 2og1 s LEU 39 N 0.43 2.92 0.83 -0.03 1.43 0.11 -2.14 118.68 122.23 2og1 s LEU 39 Ca 0.04 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 2og1 s LEU 39 Cb -0.12 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.49 2og1 s LEU 39 CO 0.00 0.10 1.20 -1.38 0.23 0.00 0.00 176.35 176.50 2og1 s HIS 40 N 0.78 2.74 0.74 0.29 -3.43 -1.26 -1.67 115.29 113.47 2og1 s HIS 40 Ca -0.03 0.68 -0.12 0.00 -0.80 0.00 0.00 55.06 54.79 2og1 s HIS 40 Cb -0.15 -3.60 0.18 0.00 -1.43 0.00 0.00 32.58 27.58 2og1 s HIS 40 CO 0.02 -1.92 0.85 0.41 -2.00 0.00 0.00 174.74 172.10 2og1 n GLY 41 N -3.39 -1.89 0.93 -1.38 0.00 -1.16 -1.21 105.19 97.09 2og1 n GLY 41 Ca 0.09 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.57 2og1 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2og1 n GLY 42 N -1.55 3.02 3.83 -0.02 0.00 -1.26 -4.72 105.19 104.50 2og1 n GLY 42 Ca 0.11 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2og1 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2og1 s GLY 43 N -1.19 1.77 0.19 -0.02 0.00 -1.26 -4.95 107.32 101.86 2og1 s GLY 43 Ca 0.35 0.09 -0.33 0.00 0.00 0.00 0.00 44.72 44.83 2og1 s GLY 43 CO 0.17 0.39 1.45 -1.05 0.00 0.00 0.00 173.10 174.06 2og1 n PRO 44 N -2.71 1.91 -0.88 2.90 -0.02 -1.26 -1.76 135.00 133.18 2og1 n PRO 44 Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2og1 n PRO 44 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2og1 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2og1 n GLY 45 N 2.68 0.93 3.75 -1.23 0.00 -1.26 -4.89 105.19 105.16 2og1 n GLY 45 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2og1 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2og1 s ALA 46 N -3.70 2.45 0.16 4.61 0.00 -0.72 -4.82 121.76 119.74 2og1 s ALA 46 Ca 0.00 0.90 -0.24 0.00 0.00 0.00 0.00 51.96 52.62 2og1 s ALA 46 Cb 0.00 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.75 2og1 s ALA 46 CO 0.00 -1.31 0.81 0.20 0.00 0.00 0.00 175.76 175.46 2og1 s GLY 47 N -1.85 -0.32 0.09 0.00 0.00 -1.26 -3.77 107.32 100.21 2og1 s GLY 47 Ca 0.75 0.26 -0.26 0.00 0.00 0.00 0.00 44.72 45.47 2og1 s GLY 47 CO 0.36 0.08 1.70 -1.33 0.00 0.00 0.00 173.10 173.91 2og1 h GLY 48 N 2.00 -0.28 0.92 0.20 0.00 -1.84 -1.99 103.07 102.08 2og1 h GLY 48 Ca -0.24 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2og1 h GLY 48 CO 0.28 -0.11 0.09 -0.25 0.00 0.00 0.00 176.54 176.56 2og1 h TRP 49 N -0.28 0.27 -0.80 5.60 2.91 -1.92 -1.39 115.95 120.35 2og1 h TRP 49 Ca -0.02 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.03 2og1 h TRP 49 Cb 0.23 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 28.74 2og1 h TRP 49 CO -0.08 0.29 0.53 0.66 -1.03 0.00 0.00 178.44 178.80 2og1 h SER 50 N 0.18 0.83 -0.06 2.65 4.64 -1.94 0.77 113.55 120.62 2og1 h SER 50 Ca 0.07 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.14 2og1 h SER 50 Cb 0.11 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2og1 h SER 50 CO -0.01 0.57 -0.86 0.78 -0.87 0.00 0.00 176.83 176.44 2og1 h ASN 51 N 0.96 0.89 -0.07 4.97 -0.26 -1.19 -3.39 115.58 117.50 2og1 h ASN 51 Ca 0.32 -0.63 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 2og1 h ASN 51 Cb 0.08 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 2og1 h ASN 51 CO -0.10 1.43 0.00 -1.22 -1.06 0.00 0.00 177.43 176.48 2og1 n TYR 52 N -3.90 0.22 0.29 1.19 4.02 -0.54 -4.72 117.16 113.72 2og1 n TYR 52 Ca -0.08 -0.87 0.11 0.00 -0.01 0.00 0.00 57.90 57.05 2og1 n TYR 52 Cb 0.79 -0.16 0.53 0.00 -0.02 0.00 0.00 39.34 40.47 2og1 n TYR 52 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2og1 n TYR 53 N -0.99 0.76 1.26 -0.72 0.18 0.23 -0.75 117.16 117.14 2og1 n TYR 53 Ca 0.14 0.34 0.13 0.00 1.88 0.00 0.00 57.90 60.40 2og1 n TYR 53 Cb 0.62 -1.05 0.32 0.00 -0.38 0.00 0.00 39.34 38.85 2og1 n TYR 53 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2og1 n ARG 54 N -2.24 1.74 -0.02 -3.48 1.74 -1.26 -4.40 116.66 108.74 2og1 n ARG 54 Ca 0.01 -1.22 -0.03 0.00 -0.77 0.00 0.00 57.85 55.83 2og1 n ARG 54 Cb 0.14 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 2og1 n ARG 54 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2og1 n ASN 55 N 0.44 3.79 -0.15 0.55 4.13 0.07 -4.77 115.26 119.33 2og1 n ASN 55 Ca 0.16 -0.01 -0.03 0.00 1.68 0.00 0.00 54.58 56.38 2og1 n ASN 55 Cb 0.44 0.45 0.05 0.00 -1.54 0.00 0.00 39.78 39.19 2og1 n ASN 55 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2og1 h VAL 56 N 0.00 0.80 0.31 2.41 3.04 -1.50 -2.30 116.25 119.01 2og1 h VAL 56 Ca -0.13 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2og1 h VAL 56 Cb 1.26 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.01 2og1 h VAL 56 CO 0.00 0.05 -0.33 1.23 -1.01 0.00 0.00 177.57 177.52 2og1 h GLY 57 N 0.29 -0.74 1.01 3.17 0.00 -1.86 -1.05 103.07 103.88 2og1 h GLY 57 Ca 0.23 0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.96 2og1 h GLY 57 CO -0.26 -0.28 0.62 -2.55 0.00 0.00 0.00 176.54 174.07 2og1 h PRO 58 N -0.67 1.19 -0.52 4.80 0.11 -1.83 -0.61 132.00 134.46 2og1 h PRO 58 Ca -0.02 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 2og1 h PRO 58 Cb 0.62 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 2og1 h PRO 58 CO -0.07 0.79 -0.11 0.74 -0.21 0.00 0.00 178.00 179.14 2og1 h PHE 59 N 1.23 1.11 -0.54 0.65 -1.00 -1.24 -1.19 116.94 115.96 2og1 h PHE 59 Ca 0.36 -0.23 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 2og1 h PHE 59 Cb -0.07 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.20 2og1 h PHE 59 CO -0.00 1.04 0.14 0.28 -1.61 0.00 0.00 178.31 178.16 2og1 h VAL 60 N 0.86 1.24 0.00 -0.55 2.07 -0.85 -2.25 116.25 116.77 2og1 h VAL 60 Ca 0.13 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2og1 h VAL 60 Cb 0.68 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2og1 h VAL 60 CO 0.05 0.32 -0.13 -0.78 0.02 0.00 0.00 177.57 177.04 2og1 h ASP 61 N 0.76 0.00 0.25 0.57 3.58 -0.92 -1.28 116.42 119.37 2og1 h ASP 61 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2og1 h ASP 61 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2og1 h ASP 61 CO 0.00 0.13 -0.03 0.00 -2.88 0.00 0.00 179.24 176.47 2og1 n ALA 62 N -2.28 2.64 -0.11 -0.78 0.00 -0.47 -4.91 120.51 114.60 2og1 n ALA 62 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2og1 n ALA 62 Cb 0.26 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2og1 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2og1 n GLY 63 N 1.17 1.51 3.56 0.00 0.00 -0.48 -5.08 105.19 105.86 2og1 n GLY 63 Ca 0.18 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2og1 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2og1 s TYR 64 N -2.00 2.63 -0.34 1.61 1.51 -1.02 -4.05 117.35 115.69 2og1 s TYR 64 Ca 0.00 -0.22 -0.20 0.00 -1.01 0.00 0.00 57.07 55.64 2og1 s TYR 64 Cb 0.00 -1.30 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 2og1 s TYR 64 CO 0.00 0.49 0.62 0.50 -1.11 0.00 0.00 175.55 176.05 2og1 s ARG 65 N -2.71 3.74 -0.16 -0.62 3.52 0.11 -3.33 118.95 119.50 2og1 s ARG 65 Ca 0.24 0.10 -0.05 0.00 -0.13 0.00 0.00 55.73 55.89 2og1 s ARG 65 Cb -0.09 -3.78 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 2og1 s ARG 65 CO 0.14 -0.67 0.02 0.08 -0.81 0.00 0.00 175.30 174.06 2og1 s VAL 66 N 2.64 4.40 -0.18 7.11 1.01 0.71 -0.72 120.40 135.37 2og1 s VAL 66 Ca 0.24 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2og1 s VAL 66 Cb -0.15 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.32 2og1 s VAL 66 CO 0.14 0.49 -0.11 -0.63 0.00 0.00 0.00 175.10 174.99 2og1 s ILE 67 N 0.21 1.57 -0.49 2.22 1.01 -0.45 -1.80 121.20 123.46 2og1 s ILE 67 Ca 0.01 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.63 2og1 s ILE 67 Cb -0.13 -1.61 0.08 0.00 0.01 0.00 0.00 42.46 40.81 2og1 s ILE 67 CO 0.01 0.24 0.43 -0.76 0.00 0.00 0.00 174.94 174.87 2og1 s LEU 68 N 1.44 5.67 0.03 2.97 1.43 0.62 -0.55 118.68 130.30 2og1 s LEU 68 Ca 0.01 -1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 51.54 2og1 s LEU 68 Cb -0.15 -2.21 -0.06 0.00 0.03 0.00 0.00 46.19 43.80 2og1 s LEU 68 CO -0.09 -0.71 0.54 -0.75 0.23 0.00 0.00 176.35 175.58 2og1 s LYS 69 N 1.72 4.19 -0.28 1.70 2.20 -0.91 -1.02 119.74 127.34 2og1 s LYS 69 Ca 0.05 0.67 -0.17 0.00 -0.36 0.00 0.00 55.97 56.16 2og1 s LYS 69 Cb -0.25 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2og1 s LYS 69 CO 0.06 0.56 0.46 -0.51 -0.36 0.00 0.00 175.35 175.56 2og1 s ASP 70 N -0.80 6.34 0.76 1.43 1.01 -0.39 -3.99 116.67 121.03 2og1 s ASP 70 Ca 0.28 0.32 -0.11 0.00 0.71 0.00 0.00 52.55 53.76 2og1 s ASP 70 Cb -0.18 -2.25 0.05 0.00 1.01 0.00 0.00 42.92 41.54 2og1 s ASP 70 CO 0.17 -0.29 1.09 -0.44 0.21 0.00 0.00 175.17 175.91 2og1 s SER 71 N 1.62 4.67 0.29 0.27 0.01 -1.26 -4.47 113.70 114.82 2og1 s SER 71 Ca 0.18 1.79 -0.30 0.00 1.31 0.00 0.00 55.95 58.94 2og1 s SER 71 Cb -0.16 -2.52 -0.13 0.00 0.21 0.00 0.00 66.02 63.43 2og1 s SER 71 CO 0.10 -1.93 1.30 -2.65 0.41 0.00 0.00 173.24 170.48 2og1 n PRO 72 N -3.43 1.96 -1.04 12.44 -0.02 -1.26 -1.91 135.00 141.74 2og1 n PRO 72 Ca 0.09 0.69 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 2og1 n PRO 72 Cb 0.53 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 2og1 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2og1 n GLY 73 N 1.46 0.51 2.96 -1.23 0.00 -0.11 -4.91 105.19 103.86 2og1 n GLY 73 Ca 0.09 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 2og1 n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2og1 s PHE 74 N -2.04 0.28 0.00 1.61 0.40 -0.80 -4.79 117.98 112.64 2og1 s PHE 74 Ca 0.00 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 2og1 s PHE 74 Cb 0.00 -0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.35 2og1 s PHE 74 CO 0.00 -0.08 0.00 -1.71 0.70 0.00 0.00 175.22 174.13 2og1 n ASN 75 N 2.27 0.00 -0.42 1.36 5.15 -1.25 -1.75 115.26 120.62 2og1 n ASN 75 Ca -0.18 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 53.92 2og1 n ASN 75 Cb 0.57 0.00 0.50 0.00 -0.53 0.00 0.00 39.78 40.32 2og1 n ASN 75 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2og1 n LYS 76 N 14.00 1.57 -2.13 1.20 5.02 -1.26 -4.88 118.16 131.68 2og1 n LYS 76 Ca 0.00 -0.84 -0.29 0.00 -2.02 0.00 0.00 58.31 55.16 2og1 n LYS 76 Cb 0.00 -1.43 0.03 0.00 -0.02 0.00 0.00 35.03 33.62 2og1 n LYS 76 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2og1 s SER 77 N -1.77 5.65 0.76 4.39 0.01 -0.72 -4.40 113.70 117.62 2og1 s SER 77 Ca 0.35 0.99 -0.14 0.00 1.31 0.00 0.00 55.95 58.47 2og1 s SER 77 Cb 0.19 -1.93 0.05 0.00 0.21 0.00 0.00 66.02 64.54 2og1 s SER 77 CO 0.29 -1.13 1.20 -1.81 0.41 0.00 0.00 173.24 172.21 2og1 s ASP 78 N -4.30 4.00 0.55 2.44 1.01 -0.36 -4.51 116.67 115.50 2og1 s ASP 78 Ca 0.55 2.35 -0.16 0.00 0.71 0.00 0.00 52.55 56.00 2og1 s ASP 78 Cb -0.11 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.18 2og1 s ASP 78 CO 0.49 -2.40 1.01 0.00 0.21 0.00 0.00 175.17 174.49 2og1 s ALA 79 N -2.06 2.96 -0.20 5.23 0.00 -1.26 -0.94 121.76 125.49 2og1 s ALA 79 Ca 0.74 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.63 2og1 s ALA 79 Cb -0.29 -3.15 0.12 0.00 0.00 0.00 0.00 23.12 19.80 2og1 s ALA 79 CO 0.47 -0.48 0.97 0.54 0.00 0.00 0.00 175.76 177.27 2og1 s VAL 80 N -2.64 0.00 -0.23 0.00 0.11 -1.26 -4.77 120.40 111.60 2og1 s VAL 80 Ca 0.60 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.61 2og1 s VAL 80 Cb -0.12 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2og1 s VAL 80 CO 0.36 0.00 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.42 2og1 s VAL 81 N -0.61 3.49 0.00 2.04 1.01 -1.26 -4.71 120.40 120.37 2og1 s VAL 81 Ca -0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2og1 s VAL 81 Cb -0.02 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2og1 s VAL 81 CO -0.00 0.35 0.27 -0.04 0.00 0.00 0.00 175.10 175.68 2og1 s MET 82 N 1.48 3.58 0.00 2.72 -1.94 -1.26 -4.99 119.30 118.89 2og1 s MET 82 Ca 0.05 -0.06 0.07 0.00 -1.71 0.00 0.00 55.69 54.03 2og1 s MET 82 Cb -0.15 -3.08 0.15 0.00 2.01 0.00 0.00 34.83 33.75 2og1 s MET 82 CO -0.02 0.65 1.01 -0.40 -0.01 0.00 0.00 175.02 176.25 2og1 n ASP 83 N 1.15 2.24 -4.41 3.03 5.75 -1.26 -4.38 116.55 118.68 2og1 n ASP 83 Ca -0.11 -1.76 -0.21 0.00 -0.01 0.00 0.00 54.79 52.69 2og1 n ASP 83 Cb 0.53 -0.10 -0.10 0.00 -1.03 0.00 0.00 41.12 40.42 2og1 n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2og1 s GLU 84 N -0.86 1.49 0.19 0.11 2.02 -1.26 -4.60 118.70 115.79 2og1 s GLU 84 Ca 0.12 -1.69 -0.33 0.00 0.02 0.00 0.00 54.97 53.10 2og1 s GLU 84 Cb 0.07 -1.37 -0.14 0.00 0.10 0.00 0.00 34.13 32.79 2og1 s GLU 84 CO 0.09 0.22 1.42 0.00 0.02 0.00 0.00 175.26 177.01 2og1 n GLN 85 N -0.50 1.84 -0.11 1.61 10.64 -1.26 -4.84 117.38 124.76 2og1 n GLN 85 Ca -0.07 0.66 0.07 0.00 -1.83 0.00 0.00 57.00 55.84 2og1 n GLN 85 Cb 0.61 -2.33 0.41 0.00 -0.86 0.00 0.00 30.24 28.07 2og1 n GLN 85 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2og1 h ARG 86 N 4.66 0.59 -0.74 2.61 3.08 -1.93 -2.69 114.38 119.96 2og1 h ARG 86 Ca -0.45 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.57 2og1 h ARG 86 Cb 1.29 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 2og1 h ARG 86 CO 0.79 0.39 0.49 0.78 -1.07 0.00 0.00 179.97 181.35 2og1 h GLY 87 N 0.61 1.04 0.71 0.04 0.00 -1.87 0.21 103.07 103.81 2og1 h GLY 87 Ca 0.26 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 2og1 h GLY 87 CO -0.08 0.38 -0.17 -2.00 0.00 0.00 0.00 176.54 174.68 2og1 h LEU 88 N 1.00 0.36 -0.63 3.11 5.85 -1.81 -1.51 115.31 121.69 2og1 h LEU 88 Ca 0.27 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2og1 h LEU 88 Cb -0.11 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2og1 h LEU 88 CO -0.06 0.80 0.35 0.58 -0.34 0.00 0.00 178.44 179.77 2og1 h VAL 89 N -0.08 1.20 -0.58 1.05 2.07 -1.34 -1.55 116.25 117.03 2og1 h VAL 89 Ca 0.01 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2og1 h VAL 89 Cb 0.72 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2og1 h VAL 89 CO 0.04 0.22 0.22 0.78 0.02 0.00 0.00 177.57 178.85 2og1 h ASN 90 N 0.86 0.76 -0.65 0.57 2.35 -0.58 -2.15 115.58 116.75 2og1 h ASN 90 Ca 0.22 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 2og1 h ASN 90 Cb 0.04 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2og1 h ASN 90 CO -0.04 0.69 0.11 0.00 -1.65 0.00 0.00 177.43 176.54 2og1 h ALA 91 N 1.42 0.93 -0.37 -0.83 0.00 -0.65 -0.83 119.26 118.93 2og1 h ALA 91 Ca 0.20 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2og1 h ALA 91 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2og1 h ALA 91 CO -0.02 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.93 2og1 h ARG 92 N 1.02 0.56 -0.42 0.00 3.08 -0.89 -1.69 114.38 116.04 2og1 h ARG 92 Ca 0.20 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 2og1 h ARG 92 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2og1 h ARG 92 CO 0.01 0.56 -0.26 0.00 -1.07 0.00 0.00 179.97 179.21 2og1 h ALA 93 N 1.50 0.75 -0.54 0.04 0.00 -0.70 -0.63 119.26 119.68 2og1 h ALA 93 Ca 0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2og1 h ALA 93 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2og1 h ALA 93 CO 0.01 0.66 0.22 0.28 0.00 0.00 0.00 179.25 180.42 2og1 h VAL 94 N 0.76 1.22 -0.62 0.00 2.07 -0.65 -0.14 116.25 118.88 2og1 h VAL 94 Ca 0.09 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2og1 h VAL 94 Cb 0.81 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2og1 h VAL 94 CO 0.07 0.25 0.28 0.50 0.02 0.00 0.00 177.57 178.69 2og1 h LYS 95 N 0.73 0.90 -0.83 1.57 3.64 -1.14 -0.55 116.57 120.89 2og1 h LYS 95 Ca 0.18 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2og1 h LYS 95 Cb 0.19 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 2og1 h LYS 95 CO -0.02 0.74 0.52 0.78 -2.27 0.00 0.00 179.45 179.20 2og1 h GLY 96 N 0.85 1.23 0.95 5.01 0.00 -0.62 0.14 103.07 110.64 2og1 h GLY 96 Ca 0.21 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 2og1 h GLY 96 CO -0.02 0.28 -0.00 -2.00 0.00 0.00 0.00 176.54 174.79 2og1 h LEU 97 N 0.96 0.71 -0.57 3.11 6.46 -0.53 -1.35 115.31 124.10 2og1 h LEU 97 Ca 0.35 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 2og1 h LEU 97 Cb 0.12 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2og1 h LEU 97 CO -0.16 0.84 0.25 0.24 -0.62 0.00 0.00 178.44 179.00 2og1 h MET 98 N 0.56 0.83 -0.36 1.25 2.86 -0.38 -1.51 114.93 118.17 2og1 h MET 98 Ca 0.12 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2og1 h MET 98 Cb 0.48 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2og1 h MET 98 CO 0.02 0.70 0.22 -0.44 1.06 0.00 0.00 176.91 178.46 2og1 h ASP 99 N 0.77 0.43 0.16 1.22 3.32 -0.66 -0.00 116.42 121.67 2og1 h ASP 99 Ca 0.19 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2og1 h ASP 99 Cb 0.15 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2og1 h ASP 99 CO -0.02 0.36 -0.15 0.00 -1.72 0.00 0.00 179.24 177.71 2og1 h ALA 100 N 1.09 1.71 -0.67 3.45 0.00 -0.95 -2.59 119.26 121.29 2og1 h ALA 100 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2og1 h ALA 100 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2og1 h ALA 100 CO -0.02 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.69 2og1 n LEU 101 N -4.30 3.81 -3.55 0.00 4.77 -0.59 -4.97 117.00 112.17 2og1 n LEU 101 Ca -0.03 -2.00 -0.25 0.00 -0.03 0.00 0.00 56.01 53.70 2og1 n LEU 101 Cb 0.22 -0.45 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 2og1 n LEU 101 CO 0.35 0.95 0.18 0.47 -1.33 0.00 0.00 177.39 178.01 2og1 n ASP 102 N 1.47 -6.04 -4.55 -1.43 8.00 -0.59 -4.98 116.55 108.43 2og1 n ASP 102 Ca 0.23 -0.53 -0.39 0.00 0.71 0.00 0.00 54.79 54.80 2og1 n ASP 102 Cb 0.59 -4.79 -0.11 0.00 -0.02 0.00 0.00 41.12 36.80 2og1 n ASP 102 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2og1 s ILE 103 N -3.28 5.22 -0.07 0.53 1.01 -0.12 -4.99 121.20 119.49 2og1 s ILE 103 Ca 0.55 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.90 2og1 s ILE 103 Cb -0.25 -3.58 -0.21 0.00 0.01 0.00 0.00 42.46 38.43 2og1 s ILE 103 CO 0.68 0.13 0.97 0.44 0.00 0.00 0.00 174.94 177.16 2og1 h ASP 104 N 8.41 -0.04 -4.56 3.58 3.32 -1.94 -3.41 116.42 121.79 2og1 h ASP 104 Ca -0.33 -0.64 -0.29 0.00 0.02 0.00 0.00 57.03 55.78 2og1 h ASP 104 Cb 1.17 0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.50 2og1 h ASP 104 CO 0.59 0.66 -0.74 -0.60 -1.72 0.00 0.00 179.24 177.43 2og1 s ARG 105 N -3.25 0.53 -0.02 3.56 3.52 -1.26 -4.56 118.95 117.47 2og1 s ARG 105 Ca -0.16 -0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 54.75 2og1 s ARG 105 Cb -0.00 -0.35 0.01 0.00 -1.56 0.00 0.00 34.95 33.04 2og1 s ARG 105 CO 0.62 0.07 0.12 0.00 -0.81 0.00 0.00 175.30 175.30 2og1 s ALA 106 N -1.09 -0.28 0.34 6.12 0.00 -0.80 -4.51 121.76 121.55 2og1 s ALA 106 Ca -0.07 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.77 2og1 s ALA 106 Cb -0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.87 2og1 s ALA 106 CO 0.00 -0.12 0.89 -1.01 0.00 0.00 0.00 175.76 175.52 2og1 s HIS 107 N -0.58 3.52 -0.02 0.00 0.09 0.60 -1.03 115.29 117.87 2og1 s HIS 107 Ca -0.07 1.60 0.07 0.00 -0.00 0.00 0.00 55.06 56.66 2og1 s HIS 107 Cb -0.04 -2.80 -0.02 0.00 -0.00 0.00 0.00 32.58 29.72 2og1 s HIS 107 CO 0.01 0.11 -0.24 -0.51 -0.00 0.00 0.00 174.74 174.11 2og1 s LEU 108 N -2.51 2.05 -0.15 0.89 1.43 -0.66 -0.74 118.68 118.98 2og1 s LEU 108 Ca 0.53 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2og1 s LEU 108 Cb -0.14 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.83 2og1 s LEU 108 CO 0.19 0.29 -0.19 -0.69 0.23 0.00 0.00 176.35 176.19 2og1 s VAL 109 N -0.53 1.87 -0.06 -1.59 1.01 -0.49 -0.12 120.40 120.49 2og1 s VAL 109 Ca 0.08 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2og1 s VAL 109 Cb -0.10 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2og1 s VAL 109 CO -0.00 0.51 -0.08 -0.83 0.00 0.00 0.00 175.10 174.70 2og1 s GLY 110 N 1.16 0.64 -0.19 4.51 0.00 -0.16 0.07 107.32 113.34 2og1 s GLY 110 Ca -0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 2og1 s GLY 110 CO -0.08 0.42 0.05 0.21 0.00 0.00 0.00 173.10 173.70 2og1 s ASN 111 N 1.00 5.42 1.28 1.64 2.47 -0.67 -0.69 114.94 125.40 2og1 s ASN 111 Ca -0.09 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.18 2og1 s ASN 111 Cb -0.14 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.72 2og1 s ASN 111 CO -0.00 0.13 0.00 -0.24 -3.72 0.00 0.00 177.10 173.27 2og1 n SER 112 N 3.84 0.00 -0.15 -4.21 2.88 -0.92 0.45 113.62 115.51 2og1 n SER 112 Ca -0.17 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.45 2og1 n SER 112 Cb 0.52 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.37 2og1 n SER 112 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2og1 h MET 113 N 0.00 0.64 -0.05 -1.46 1.85 -1.85 0.58 114.93 114.65 2og1 h MET 113 Ca 0.00 -0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 58.98 2og1 h MET 113 Cb 0.00 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 31.87 2og1 h MET 113 CO 0.00 0.43 -0.29 0.78 -0.40 0.00 0.00 176.91 177.43 2og1 h GLY 114 N 0.66 0.09 1.09 1.39 0.00 0.15 0.54 103.07 107.00 2og1 h GLY 114 Ca 0.30 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.40 2og1 h GLY 114 CO -0.10 0.06 -0.43 -1.33 0.00 0.00 0.00 176.54 174.75 2og1 h GLY 115 N 0.94 0.93 1.00 4.60 0.00 -0.82 0.20 103.07 109.92 2og1 h GLY 115 Ca 0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 47.33 46.29 2og1 h GLY 115 CO 0.04 0.91 0.22 0.00 0.00 0.00 0.00 176.54 177.71 2og1 h ALA 116 N 0.71 0.78 -0.26 3.60 0.00 -0.87 -1.41 119.26 121.81 2og1 h ALA 116 Ca 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2og1 h ALA 116 Cb 1.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2og1 h ALA 116 CO 0.10 0.42 0.13 1.15 0.00 0.00 0.00 179.25 181.05 2og1 h THR 117 N 0.84 1.00 -0.99 0.00 2.02 -0.68 -1.07 112.91 114.02 2og1 h THR 117 Ca 0.20 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.30 2og1 h THR 117 Cb 0.24 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2og1 h THR 117 CO -0.01 0.05 0.65 0.00 0.37 0.00 0.00 175.52 176.58 2og1 h ALA 118 N 1.13 1.26 -0.37 6.16 0.00 -0.64 -0.14 119.26 126.66 2og1 h ALA 118 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2og1 h ALA 118 Cb 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2og1 h ALA 118 CO -0.07 0.62 0.08 -0.07 0.00 0.00 0.00 179.25 179.81 2og1 h LEU 119 N 1.32 0.56 -0.99 0.00 3.38 -0.89 -0.68 115.31 118.01 2og1 h LEU 119 Ca 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2og1 h LEU 119 Cb -0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2og1 h LEU 119 CO -0.09 0.66 0.32 0.78 0.09 0.00 0.00 178.44 180.21 2og1 h ASN 120 N 0.45 0.95 -0.27 -0.43 2.35 -0.72 -1.80 115.58 116.11 2og1 h ASN 120 Ca 0.11 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2og1 h ASN 120 Cb 0.32 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2og1 h ASN 120 CO 0.00 0.82 0.08 0.15 -1.65 0.00 0.00 177.43 176.83 2og1 h PHE 121 N 1.04 0.44 -0.31 1.19 3.57 -0.72 0.09 116.94 122.23 2og1 h PHE 121 Ca 0.25 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2og1 h PHE 121 Cb 0.14 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2og1 h PHE 121 CO 0.01 0.48 0.20 0.00 -2.23 0.00 0.00 178.31 176.77 2og1 h ALA 122 N 0.91 1.77 0.06 2.41 0.00 -0.83 0.12 119.26 123.69 2og1 h ALA 122 Ca 0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2og1 h ALA 122 Cb 0.25 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.93 2og1 h ALA 122 CO -0.00 0.21 -0.63 -0.07 0.00 0.00 0.00 179.25 178.77 2og1 h LEU 123 N 0.42 0.45 0.05 0.00 3.38 -0.96 -3.21 115.31 115.44 2og1 h LEU 123 Ca 0.11 -0.85 -0.26 0.00 0.09 0.00 0.00 57.88 56.97 2og1 h LEU 123 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2og1 h LEU 123 CO -0.02 1.26 -1.17 -0.33 0.09 0.00 0.00 178.44 178.26 2og1 h GLU 124 N -0.30 0.28 -2.13 1.13 4.39 -0.80 -3.39 114.58 113.76 2og1 h GLU 124 Ca -0.10 -0.44 -0.55 0.00 0.34 0.00 0.00 59.36 58.61 2og1 h GLU 124 Cb 1.40 0.16 -0.41 0.00 -0.10 0.00 0.00 28.75 29.80 2og1 h GLU 124 CO 0.12 1.18 -0.89 0.66 -1.16 0.00 0.00 179.01 178.92 2og1 n TYR 125 N -3.57 1.96 0.09 4.33 4.02 0.41 -4.94 117.16 119.45 2og1 n TYR 125 Ca -0.08 -3.89 0.18 0.00 -0.01 0.00 0.00 57.90 54.11 2og1 n TYR 125 Cb 0.98 -0.46 0.73 0.00 -0.02 0.00 0.00 39.34 40.58 2og1 n TYR 125 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2og1 h PRO 126 N 3.40 0.00 -0.01 -0.72 0.13 -1.71 -0.65 132.00 132.44 2og1 h PRO 126 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2og1 h PRO 126 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2og1 h PRO 126 CO 0.66 0.00 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.17 2og1 n ASP 127 N -4.14 0.94 -0.50 1.44 8.00 -1.26 -3.63 116.55 117.40 2og1 n ASP 127 Ca 0.06 -1.28 0.07 0.00 0.71 0.00 0.00 54.79 54.35 2og1 n ASP 127 Cb 0.50 -0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.64 2og1 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2og1 n ARG 128 N -0.28 1.11 -4.31 -1.24 5.12 -0.26 -4.81 116.66 111.99 2og1 n ARG 128 Ca 0.20 -1.20 -0.30 0.00 -1.93 0.00 0.00 57.85 54.62 2og1 n ARG 128 Cb 0.27 -1.25 -0.10 0.00 -1.16 0.00 0.00 32.46 30.22 2og1 n ARG 128 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2og1 s ILE 129 N -1.25 3.30 0.00 0.55 2.07 -1.22 -1.91 121.20 122.75 2og1 s ILE 129 Ca 0.15 -1.22 0.00 0.00 -1.41 0.00 0.00 60.65 58.17 2og1 s ILE 129 Cb 0.11 -2.51 0.00 0.00 0.13 0.00 0.00 42.46 40.19 2og1 s ILE 129 CO 0.20 0.17 0.00 0.61 -1.91 0.00 0.00 174.94 174.01 2og1 n GLY 130 N 0.91 0.17 3.93 1.50 0.00 -0.20 -4.77 105.19 106.74 2og1 n GLY 130 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 2og1 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2og1 s LYS 131 N 1.60 3.52 -0.17 1.61 1.02 -1.26 -4.45 119.74 121.61 2og1 s LYS 131 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.69 2og1 s LYS 131 Cb 0.00 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 2og1 s LYS 131 CO 0.00 0.26 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.35 2og1 s LEU 132 N -3.83 2.28 -0.18 3.17 2.96 -0.38 -1.65 118.68 121.04 2og1 s LEU 132 Ca 0.40 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2og1 s LEU 132 Cb -0.10 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2og1 s LEU 132 CO 0.32 0.02 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.62 2og1 s ILE 133 N 1.16 2.75 -0.13 6.68 1.09 0.82 -0.45 121.20 133.13 2og1 s ILE 133 Ca 0.01 -0.72 -0.00 0.00 -1.10 0.00 0.00 60.65 58.85 2og1 s ILE 133 Cb -0.14 -2.20 -0.02 0.00 -1.06 0.00 0.00 42.46 39.05 2og1 s ILE 133 CO -0.08 0.49 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.37 2og1 s LEU 134 N 1.16 2.75 -0.31 2.97 1.43 0.16 -0.99 118.68 125.85 2og1 s LEU 134 Ca 0.01 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2og1 s LEU 134 Cb -0.14 -1.62 0.09 0.00 0.03 0.00 0.00 46.19 44.55 2og1 s LEU 134 CO -0.05 0.18 0.04 -0.32 0.23 0.00 0.00 176.35 176.43 2og1 s MET 135 N 0.28 1.30 -1.29 1.70 1.75 0.14 0.18 119.30 123.36 2og1 s MET 135 Ca -0.09 -1.51 -0.08 0.00 -1.25 0.00 0.00 55.69 52.75 2og1 s MET 135 Cb -0.16 -2.76 -0.00 0.00 2.84 0.00 0.00 34.83 34.75 2og1 s MET 135 CO 0.05 -0.90 0.61 0.41 -0.65 0.00 0.00 175.02 174.54 2og1 n GLY 136 N 4.49 -0.53 3.75 2.11 0.00 -0.66 -2.48 105.19 111.87 2og1 n GLY 136 Ca -0.00 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 2og1 n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2og1 s PRO 137 N -6.25 3.25 0.55 1.61 0.04 -1.26 -2.15 135.00 130.79 2og1 s PRO 137 Ca 0.18 2.15 0.08 0.00 0.04 0.00 0.00 61.00 63.45 2og1 s PRO 137 Cb -0.07 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 32.25 2og1 s PRO 137 CO 0.87 -1.07 0.59 0.20 0.04 0.00 0.00 177.00 177.63 2og1 s GLY 138 N -1.03 2.05 -1.19 0.56 0.00 -0.63 -4.70 107.32 102.38 2og1 s GLY 138 Ca 0.70 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2og1 s GLY 138 CO 0.45 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 172.36 2og1 n GLY 139 N -1.99 1.23 1.56 0.20 0.00 -1.26 -4.38 105.19 100.55 2og1 n GLY 139 Ca 0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2og1 n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2og1 n LEU 140 N -1.27 4.64 0.00 0.99 4.77 -1.26 -1.54 117.00 123.33 2og1 n LEU 140 Ca -0.11 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.44 2og1 n LEU 140 Cb 0.38 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2og1 n LEU 140 CO 0.17 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2og1 n GLY 141 N -0.21 -1.59 3.77 -0.72 0.00 -1.26 -4.90 105.19 100.28 2og1 n GLY 141 Ca 0.28 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2og1 n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2og1 s PRO 142 N 0.00 2.69 0.25 1.61 0.04 -1.26 -5.05 135.00 133.29 2og1 s PRO 142 Ca 0.00 1.34 -0.05 0.00 0.04 0.00 0.00 61.00 62.34 2og1 s PRO 142 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2og1 s PRO 142 CO 0.00 -1.33 0.51 0.45 0.04 0.00 0.00 177.00 176.67 2og1 s SER 143 N -2.75 6.46 0.00 6.66 0.15 -1.26 -4.99 113.70 117.97 2og1 s SER 143 Ca 0.66 0.68 0.27 0.00 0.70 0.00 0.00 55.95 58.26 2og1 s SER 143 Cb -0.20 -2.13 0.96 0.00 -1.71 0.00 0.00 66.02 62.95 2og1 s SER 143 CO 0.45 -0.13 1.70 0.23 1.20 0.00 0.00 173.24 176.68 2og1 n MET 144 N -0.71 0.54 0.00 5.44 2.81 -1.26 -4.48 117.12 119.47 2og1 n MET 144 Ca -0.02 -0.24 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 2og1 n MET 144 Cb 0.53 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 2og1 n MET 144 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2og1 n PHE 145 N -1.01 0.00 -3.06 2.03 3.01 -1.26 -5.08 117.46 112.08 2og1 n PHE 145 Ca 0.11 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.17 2og1 n PHE 145 Cb 0.31 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.73 2og1 n PHE 145 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2og1 s ALA 146 N -1.29 3.45 0.51 4.37 0.00 -1.26 -5.04 121.76 122.50 2og1 s ALA 146 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 2og1 s ALA 146 Cb 0.00 -2.99 -0.06 0.00 0.00 0.00 0.00 23.12 20.07 2og1 s ALA 146 CO 0.00 -0.35 1.32 -2.14 0.00 0.00 0.00 175.76 174.59 2og1 s PRO 147 N 1.40 3.39 0.09 0.00 0.02 -1.26 -4.49 135.00 134.14 2og1 s PRO 147 Ca 0.34 2.15 0.07 0.00 0.02 0.00 0.00 61.00 63.57 2og1 s PRO 147 Cb -0.17 -2.36 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 2og1 s PRO 147 CO 0.14 -0.97 -0.17 -1.64 -0.33 0.00 0.00 177.00 174.03 2og1 s MET 148 N -2.77 0.97 0.39 5.54 -1.94 -1.26 -3.88 119.30 116.35 2og1 s MET 148 Ca 0.68 -1.07 -0.26 0.00 -1.71 0.00 0.00 55.69 53.33 2og1 s MET 148 Cb -0.38 -1.09 -0.09 0.00 2.01 0.00 0.00 34.83 35.28 2og1 s MET 148 CO 0.46 0.25 1.29 -1.25 -0.01 0.00 0.00 175.02 175.75 2og1 s PRO 149 N -1.87 4.04 0.87 2.03 0.04 -1.26 -5.16 135.00 133.69 2og1 s PRO 149 Ca 0.02 2.14 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 2og1 s PRO 149 Cb -0.10 -2.80 0.11 0.00 0.04 0.00 0.00 34.50 31.75 2og1 s PRO 149 CO 0.03 -0.42 1.09 -1.64 0.04 0.00 0.00 177.00 176.10 2og1 s MET 150 N -2.17 1.47 0.20 4.56 -1.94 -1.25 -4.77 119.30 115.40 2og1 s MET 150 Ca 0.56 0.76 -0.13 0.00 -1.71 0.00 0.00 55.69 55.16 2og1 s MET 150 Cb -0.38 -1.84 0.21 0.00 2.01 0.00 0.00 34.83 34.84 2og1 s MET 150 CO 0.49 -2.08 1.66 0.93 -0.01 0.00 0.00 175.02 176.00 2og1 h GLU 151 N -1.43 0.05 -0.64 2.03 5.08 -1.87 -1.61 114.58 116.19 2og1 h GLU 151 Ca -0.49 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2og1 h GLU 151 Cb 1.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2og1 h GLU 151 CO 0.56 0.03 0.31 0.78 -1.00 0.00 0.00 179.01 179.69 2og1 h GLY 152 N 0.05 0.97 1.19 -3.84 0.00 -1.22 -2.09 103.07 98.13 2og1 h GLY 152 Ca 0.27 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 2og1 h GLY 152 CO -0.52 0.43 -0.35 -2.22 0.00 0.00 0.00 176.54 173.89 2og1 h ILE 153 N 0.90 1.27 -0.66 2.60 1.08 -1.56 -0.50 117.51 120.64 2og1 h ILE 153 Ca 0.22 -1.52 -0.04 0.00 -0.39 0.00 0.00 64.86 63.14 2og1 h ILE 153 Cb 0.09 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 2og1 h ILE 153 CO -0.03 0.51 0.27 0.11 -0.69 0.00 0.00 178.15 178.32 2og1 h LYS 154 N 0.75 0.99 -0.14 2.37 1.57 -0.96 -1.62 116.57 119.53 2og1 h LYS 154 Ca 0.07 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.53 2og1 h LYS 154 Cb 0.92 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2og1 h LYS 154 CO 0.09 0.82 -0.55 -0.07 -0.57 0.00 0.00 179.45 179.17 2og1 h LEU 155 N 0.94 0.45 -0.24 2.94 3.38 -1.30 -1.66 115.31 119.82 2og1 h LEU 155 Ca 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2og1 h LEU 155 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2og1 h LEU 155 CO -0.02 0.91 0.14 0.25 0.09 0.00 0.00 178.44 179.81 2og1 h LEU 156 N 0.31 0.29 -0.92 1.67 6.46 -0.73 -0.15 115.31 122.25 2og1 h LEU 156 Ca 0.00 -0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.59 2og1 h LEU 156 Cb 1.07 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 2og1 h LEU 156 CO 0.10 0.26 -0.53 -0.26 -0.62 0.00 0.00 178.44 177.39 2og1 h PHE 157 N 0.29 0.00 -0.41 1.25 -1.00 -1.24 -1.84 116.94 113.99 2og1 h PHE 157 Ca 0.08 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.74 2og1 h PHE 157 Cb 0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 2og1 h PHE 157 CO -0.04 0.53 -0.21 -0.22 -1.61 0.00 0.00 178.31 176.75 2og1 h LYS 158 N 0.00 0.87 -0.40 1.51 3.64 -0.97 -2.28 116.57 118.94 2og1 h LYS 158 Ca -0.01 -0.38 -0.11 0.00 -1.27 0.00 0.00 60.65 58.88 2og1 h LYS 158 Cb 0.96 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 2og1 h LYS 158 CO 0.07 1.03 -0.19 1.25 -2.27 0.00 0.00 179.45 179.33 2og1 h LEU 159 N 0.68 0.77 -0.73 5.20 5.85 -0.86 0.95 115.31 127.17 2og1 h LEU 159 Ca 0.09 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2og1 h LEU 159 Cb 0.78 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2og1 h LEU 159 CO 0.06 0.96 0.34 1.88 -0.34 0.00 0.00 178.44 181.34 2og1 h TYR 160 N 0.68 1.07 0.15 1.25 -1.99 -1.19 -2.34 116.97 114.59 2og1 h TYR 160 Ca 0.10 -0.06 -0.29 0.00 2.00 0.00 0.00 58.73 60.48 2og1 h TYR 160 Cb 0.69 -0.33 0.01 0.00 2.00 0.00 0.00 36.73 39.11 2og1 h TYR 160 CO 0.04 0.80 -1.31 0.00 -0.00 0.00 0.00 178.16 177.68 2og1 h ALA 161 N 1.17 0.06 -2.31 3.88 0.00 -1.21 -3.41 119.26 117.44 2og1 h ALA 161 Ca 0.25 -0.90 -0.59 0.00 0.00 0.00 0.00 54.91 53.68 2og1 h ALA 161 Cb 0.14 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.60 2og1 h ALA 161 CO -0.03 0.93 -0.90 0.39 0.00 0.00 0.00 179.25 179.65 2og1 n GLU 162 N -3.56 1.04 -1.83 0.00 1.02 0.31 -5.11 120.64 112.51 2og1 n GLU 162 Ca -0.11 -3.65 -0.42 0.00 -0.02 0.00 0.00 57.16 52.96 2og1 n GLU 162 Cb 1.04 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 2og1 n GLU 162 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2og1 s PRO 163 N -1.07 4.16 -0.02 3.49 0.04 -0.88 -4.57 135.00 136.14 2og1 s PRO 163 Ca 0.34 2.50 -0.30 0.00 0.04 0.00 0.00 61.00 63.58 2og1 s PRO 163 Cb 0.09 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.62 2og1 s PRO 163 CO -0.13 -0.65 0.67 -1.54 0.04 0.00 0.00 177.00 175.39 2og1 s SER 164 N 0.90 -0.65 0.23 6.66 1.04 -1.26 -5.04 113.70 115.58 2og1 s SER 164 Ca 0.69 0.63 -0.08 0.00 0.48 0.00 0.00 55.95 57.67 2og1 s SER 164 Cb -0.47 0.55 0.22 0.00 0.10 0.00 0.00 66.02 66.42 2og1 s SER 164 CO 0.37 -0.65 1.89 0.22 0.98 0.00 0.00 173.24 176.04 2og1 h TYR 165 N 2.88 1.04 -0.59 5.02 3.20 -1.99 -1.33 116.97 125.20 2og1 h TYR 165 Ca -0.28 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.55 2og1 h TYR 165 Cb 1.16 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 2og1 h TYR 165 CO 0.36 0.63 0.10 1.49 -1.64 0.00 0.00 178.16 179.10 2og1 h GLU 166 N 1.10 0.97 -0.13 1.82 4.57 -1.99 -1.21 114.58 119.71 2og1 h GLU 166 Ca 0.32 -0.26 -0.12 0.00 -1.18 0.00 0.00 59.36 58.12 2og1 h GLU 166 Cb -0.07 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 2og1 h GLU 166 CO -0.09 0.92 -0.47 1.15 -1.18 0.00 0.00 179.01 179.34 2og1 h THR 167 N 0.88 1.33 -0.41 0.32 2.02 -1.86 -1.22 112.91 113.96 2og1 h THR 167 Ca 0.18 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 2og1 h THR 167 Cb 0.41 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2og1 h THR 167 CO 0.01 0.50 0.21 0.25 0.37 0.00 0.00 175.52 176.86 2og1 h LEU 168 N 0.26 0.53 -0.75 2.58 5.85 -0.96 -0.39 115.31 122.43 2og1 h LEU 168 Ca 0.02 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2og1 h LEU 168 Cb 0.92 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2og1 h LEU 168 CO 0.08 0.49 0.34 0.50 -0.34 0.00 0.00 178.44 179.50 2og1 h LYS 169 N 0.52 1.10 -0.65 1.25 3.64 -0.91 -1.06 116.57 120.45 2og1 h LYS 169 Ca 0.14 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2og1 h LYS 169 Cb 0.09 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2og1 h LYS 169 CO -0.02 0.87 0.37 1.96 -2.27 0.00 0.00 179.45 180.37 2og1 h GLN 170 N 1.07 0.90 -0.30 1.90 4.20 -0.81 -0.42 115.11 121.64 2og1 h GLN 170 Ca 0.25 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2og1 h GLN 170 Cb 0.16 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2og1 h GLN 170 CO -0.03 0.66 0.13 1.98 -0.67 0.00 0.00 178.83 180.91 2og1 h MET 171 N 0.89 0.45 -0.81 1.46 4.05 -0.68 -1.86 114.93 118.42 2og1 h MET 171 Ca 0.23 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 2og1 h MET 171 Cb 0.01 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 2og1 h MET 171 CO -0.04 0.44 0.45 -0.07 0.23 0.00 0.00 176.91 177.93 2og1 h LEU 172 N 0.35 0.99 -0.54 3.39 4.07 -0.90 -1.78 115.31 120.88 2og1 h LEU 172 Ca 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2og1 h LEU 172 Cb 0.15 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 2og1 h LEU 172 CO -0.01 0.79 0.30 1.56 -1.08 0.00 0.00 178.44 179.99 2og1 h GLN 173 N 1.12 0.76 -0.02 1.13 4.20 -0.79 -2.26 115.11 119.25 2og1 h GLN 173 Ca 0.29 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 2og1 h GLN 173 Cb 0.01 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2og1 h GLN 173 CO -0.05 0.59 -0.27 0.28 -0.67 0.00 0.00 178.83 178.71 2og1 h VAL 174 N 0.73 1.20 0.00 -0.54 2.07 -0.89 -2.46 116.25 116.36 2og1 h VAL 174 Ca 0.19 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2og1 h VAL 174 Cb 0.05 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2og1 h VAL 174 CO -0.03 0.28 0.00 0.49 0.02 0.00 0.00 177.57 178.33 2og1 n PHE 175 N -4.21 0.00 -4.05 1.57 3.01 -0.71 -4.38 117.46 108.70 2og1 n PHE 175 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 2og1 n PHE 175 Cb 0.33 -0.35 -0.06 0.00 -0.01 0.00 0.00 39.48 39.39 2og1 n PHE 175 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2og1 s LEU 176 N -2.70 3.35 -0.23 4.37 1.43 -0.93 -0.61 118.68 123.36 2og1 s LEU 176 Ca 0.21 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 2og1 s LEU 176 Cb 0.18 -1.86 -0.13 0.00 0.03 0.00 0.00 46.19 44.40 2og1 s LEU 176 CO 0.43 -0.29 -0.14 0.00 0.23 0.00 0.00 176.35 176.58 2og1 n TYR 177 N -1.19 0.44 -3.24 0.29 9.36 -1.26 -4.61 117.16 116.96 2og1 n TYR 177 Ca -0.03 0.19 -0.46 0.00 3.32 0.00 0.00 57.90 60.92 2og1 n TYR 177 Cb 0.61 -0.96 -0.04 0.00 -0.63 0.00 0.00 39.34 38.32 2og1 n TYR 177 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2og1 s ASP 178 N -6.95 6.40 0.52 2.98 -1.08 -1.26 -4.91 116.67 112.37 2og1 s ASP 178 Ca -0.32 -2.00 0.35 0.00 -0.52 0.00 0.00 52.55 50.05 2og1 s ASP 178 Cb 0.09 -2.25 1.76 0.00 -1.46 0.00 0.00 42.92 41.06 2og1 s ASP 178 CO 0.49 -0.85 2.06 1.56 0.52 0.00 0.00 175.17 178.95 2og1 h GLN 179 N 8.61 0.00 0.00 4.34 4.20 -1.86 -2.42 115.11 127.99 2og1 h GLN 179 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2og1 h GLN 179 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 2og1 h GLN 179 CO 0.97 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 178.00 2og1 n SER 180 N -2.81 0.00 0.02 1.46 3.41 -1.26 -2.81 113.62 111.63 2og1 n SER 180 Ca -0.01 0.25 0.13 0.00 -0.26 0.00 0.00 58.87 58.98 2og1 n SER 180 Cb 0.13 -0.39 0.56 0.00 -0.26 0.00 0.00 64.21 64.25 2og1 n SER 180 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2og1 n LEU 181 N -1.39 0.12 -4.70 1.04 4.77 -0.91 -4.80 117.00 111.13 2og1 n LEU 181 Ca 0.07 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.14 2og1 n LEU 181 Cb 0.19 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 2og1 n LEU 181 CO 0.16 -0.06 1.21 -0.63 -1.33 0.00 0.00 177.39 176.74 2og1 s ILE 182 N -3.02 3.14 0.23 -0.08 1.01 -1.12 -5.00 121.20 116.36 2og1 s ILE 182 Ca 0.13 0.69 0.07 0.00 0.00 0.00 0.00 60.65 61.54 2og1 s ILE 182 Cb 0.17 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2og1 s ILE 182 CO 0.51 0.02 0.14 0.42 0.00 0.00 0.00 174.94 176.03 2og1 s THR 183 N 1.94 4.23 0.27 2.92 -4.23 -1.26 -5.01 115.64 114.49 2og1 s THR 183 Ca 0.69 -1.44 -0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2og1 s THR 183 Cb -0.38 -3.25 0.25 0.00 1.34 0.00 0.00 72.50 70.46 2og1 s THR 183 CO 0.30 -0.29 1.93 -0.08 -0.54 0.00 0.00 174.62 175.94 2og1 h GLU 184 N 1.82 1.21 -0.32 3.99 4.81 -1.99 -2.30 114.58 121.80 2og1 h GLU 184 Ca -0.47 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 58.55 2og1 h GLU 184 Cb 1.23 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2og1 h GLU 184 CO 0.61 0.82 -0.26 0.93 -0.73 0.00 0.00 179.01 180.38 2og1 h GLU 185 N 1.24 0.65 -0.18 1.92 3.07 -1.98 -0.02 114.58 119.28 2og1 h GLU 185 Ca 0.33 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2og1 h GLU 185 Cb -0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2og1 h GLU 185 CO -0.07 0.85 0.00 1.25 -1.40 0.00 0.00 179.01 179.64 2og1 h LEU 186 N 0.57 0.31 -0.27 1.33 5.85 -1.88 -1.60 115.31 119.61 2og1 h LEU 186 Ca 0.07 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2og1 h LEU 186 Cb 0.75 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2og1 h LEU 186 CO 0.06 0.54 0.14 -0.07 -0.34 0.00 0.00 178.44 178.77 2og1 h LEU 187 N 0.07 0.35 -0.63 2.25 3.38 -1.31 -2.29 115.31 117.13 2og1 h LEU 187 Ca 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2og1 h LEU 187 Cb 0.38 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2og1 h LEU 187 CO 0.01 0.36 0.31 -0.61 0.09 0.00 0.00 178.44 178.60 2og1 h GLN 188 N 0.32 0.90 -0.42 1.13 5.75 -0.97 0.15 115.11 121.97 2og1 h GLN 188 Ca 0.10 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2og1 h GLN 188 Cb 0.10 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 2og1 h GLN 188 CO -0.01 0.72 0.20 0.78 -2.65 0.00 0.00 178.83 177.86 2og1 h GLY 189 N 0.87 0.65 1.39 2.39 0.00 -1.21 -0.66 103.07 106.51 2og1 h GLY 189 Ca 0.22 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 2og1 h GLY 189 CO -0.03 0.31 -0.39 -0.09 0.00 0.00 0.00 176.54 176.35 2og1 h ARG 190 N 0.54 0.67 -0.69 4.80 2.43 -1.21 -2.27 114.38 118.65 2og1 h ARG 190 Ca 0.14 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 2og1 h ARG 190 Cb 0.13 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2og1 h ARG 190 CO -0.02 0.95 0.15 2.35 -1.51 0.00 0.00 179.97 181.89 2og1 h TRP 191 N 0.55 1.18 -0.72 2.20 -0.00 -0.48 -2.20 115.95 116.49 2og1 h TRP 191 Ca 0.05 -0.15 -0.04 0.00 -0.00 0.00 0.00 58.89 58.75 2og1 h TRP 191 Cb 0.91 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 29.71 2og1 h TRP 191 CO 0.04 0.97 0.27 0.93 -0.00 0.00 0.00 178.44 180.65 2og1 h GLU 192 N 1.05 1.07 -0.28 2.65 5.08 -0.94 0.98 114.58 124.18 2og1 h GLU 192 Ca 0.21 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2og1 h GLU 192 Cb 0.40 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2og1 h GLU 192 CO 0.01 0.88 -0.02 0.00 -1.00 0.00 0.00 179.01 178.87 2og1 h ALA 193 N 1.25 1.44 -0.02 3.43 0.00 -1.00 0.11 119.26 124.48 2og1 h ALA 193 Ca 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2og1 h ALA 193 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2og1 h ALA 193 CO -0.02 0.40 -0.14 0.82 0.00 0.00 0.00 179.25 180.31 2og1 h ILE 194 N 0.42 1.52 -0.46 0.00 2.04 -0.78 -3.10 117.51 117.16 2og1 h ILE 194 Ca 0.09 -1.74 -0.08 0.00 1.00 0.00 0.00 64.86 64.14 2og1 h ILE 194 Cb 0.31 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 2og1 h ILE 194 CO 0.01 0.47 -0.03 1.56 0.00 0.00 0.00 178.15 180.16 2og1 h GLN 195 N -0.52 0.77 -0.00 2.37 4.20 -0.61 -3.08 115.11 118.22 2og1 h GLN 195 Ca -0.01 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2og1 h GLN 195 Cb 0.84 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2og1 h GLN 195 CO 0.03 0.80 -0.23 0.54 -0.67 0.00 0.00 178.83 179.29 2og1 n ARG 196 N -4.20 0.34 -3.16 1.46 1.74 0.36 -4.06 116.66 109.13 2og1 n ARG 196 Ca 0.02 -0.14 -0.18 0.00 -0.77 0.00 0.00 57.85 56.78 2og1 n ARG 196 Cb 0.32 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 2og1 n ARG 196 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2og1 n GLN 197 N -1.21 1.01 0.14 5.56 3.00 -1.17 -4.96 117.38 119.75 2og1 n GLN 197 Ca 0.10 -3.39 0.12 0.00 -0.01 0.00 0.00 57.00 53.81 2og1 n GLN 197 Cb 0.32 -1.69 0.63 0.00 0.00 0.00 0.00 30.24 29.50 2og1 n GLN 197 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2og1 h PRO 198 N 3.00 0.06 0.00 -1.09 0.13 -1.68 -1.88 132.00 130.54 2og1 h PRO 198 Ca 0.09 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 2og1 h PRO 198 Cb 0.98 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 2og1 h PRO 198 CO 0.50 0.04 -0.08 1.05 -0.23 0.00 0.00 178.00 179.28 2og1 h GLU 199 N 0.07 0.00 -0.50 0.86 9.09 -1.92 -2.14 114.58 120.03 2og1 h GLU 199 Ca 0.10 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.45 2og1 h GLU 199 Cb 0.33 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.41 2og1 h GLU 199 CO -0.01 0.08 0.06 0.45 0.05 0.00 0.00 179.01 179.65 2og1 h HIS 200 N 0.00 0.83 -0.15 2.06 3.86 -1.64 0.42 115.15 120.53 2og1 h HIS 200 Ca -0.00 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 2og1 h HIS 200 Cb 0.17 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 2og1 h HIS 200 CO 0.00 0.73 -0.04 -0.07 0.86 0.00 0.00 177.93 179.41 2og1 h LEU 201 N 0.75 0.29 -0.55 2.43 4.07 -1.53 -0.65 115.31 120.13 2og1 h LEU 201 Ca 0.16 -0.38 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 2og1 h LEU 201 Cb 0.37 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 2og1 h LEU 201 CO 0.01 0.60 0.28 0.50 -1.08 0.00 0.00 178.44 178.75 2og1 h LYS 202 N -0.02 0.78 -0.24 1.13 1.63 -1.41 -2.44 116.57 115.99 2og1 h LYS 202 Ca 0.04 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 2og1 h LYS 202 Cb 0.48 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2og1 h LYS 202 CO 0.02 0.62 -0.13 -0.91 -3.45 0.00 0.00 179.45 175.59 2og1 h ASN 203 N 0.73 0.39 -0.46 4.20 2.35 -0.86 -1.67 115.58 120.28 2og1 h ASN 203 Ca 0.19 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2og1 h ASN 203 Cb 0.09 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2og1 h ASN 203 CO -0.03 0.56 0.12 0.15 -1.65 0.00 0.00 177.43 176.59 2og1 h PHE 204 N 0.38 0.75 -0.58 1.19 3.57 -0.76 -0.37 116.94 121.12 2og1 h PHE 204 Ca 0.07 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2og1 h PHE 204 Cb 0.47 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2og1 h PHE 204 CO 0.01 0.68 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.67 2og1 h LEU 205 N 0.60 1.03 -0.58 0.59 3.38 -1.08 0.12 115.31 119.38 2og1 h LEU 205 Ca 0.14 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2og1 h LEU 205 Cb 0.30 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2og1 h LEU 205 CO -0.00 1.10 0.21 0.40 0.09 0.00 0.00 178.44 180.24 2og1 h ILE 206 N 0.94 1.23 -0.85 1.22 2.04 -1.18 -2.43 117.51 118.49 2og1 h ILE 206 Ca 0.16 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2og1 h ILE 206 Cb 0.59 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2og1 h ILE 206 CO 0.04 0.29 0.45 0.28 0.00 0.00 0.00 178.15 179.20 2og1 h SER 207 N 0.81 1.07 0.24 1.72 0.02 -0.70 -2.54 113.55 114.17 2og1 h SER 207 Ca 0.19 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2og1 h SER 207 Cb 0.24 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2og1 h SER 207 CO -0.01 0.88 -0.22 0.00 -1.14 0.00 0.00 176.83 176.33 2og1 h ALA 208 N 1.24 1.60 -0.04 3.77 0.00 -0.43 -0.01 119.26 125.40 2og1 h ALA 208 Ca 0.30 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2og1 h ALA 208 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2og1 h ALA 208 CO -0.04 0.28 -0.75 1.96 0.00 0.00 0.00 179.25 180.69 2og1 h GLN 209 N 0.00 0.27 -0.01 0.00 1.08 -1.03 -2.61 115.11 112.81 2og1 h GLN 209 Ca -0.00 -0.23 -0.24 0.00 -1.45 0.00 0.00 58.65 56.72 2og1 h GLN 209 Cb 0.40 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2og1 h GLN 209 CO 0.03 0.90 -0.97 0.87 -0.95 0.00 0.00 178.83 178.71 2og1 h LYS 210 N 0.18 0.58 -2.66 1.46 1.57 -1.08 -3.40 116.57 113.21 2og1 h LYS 210 Ca -0.03 -0.60 -0.59 0.00 -1.87 0.00 0.00 60.65 57.56 2og1 h LYS 210 Cb 1.32 0.17 -0.39 0.00 0.08 0.00 0.00 32.23 33.41 2og1 h LYS 210 CO 0.12 1.22 -0.84 0.00 -0.57 0.00 0.00 179.45 179.38 2og1 s ALA 211 N -3.34 1.50 0.90 3.86 0.00 -0.08 -4.89 121.76 119.72 2og1 s ALA 211 Ca -0.08 -2.30 -0.14 0.00 0.00 0.00 0.00 51.96 49.45 2og1 s ALA 211 Cb 0.08 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.50 2og1 s ALA 211 CO 0.89 -2.06 0.35 -2.30 0.00 0.00 0.00 175.76 172.64 2og1 n PRO 212 N 3.51 -0.14 0.08 0.00 -0.02 -0.98 -4.56 135.00 132.89 2og1 n PRO 212 Ca 0.16 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.84 2og1 n PRO 212 Cb 0.39 -1.79 0.74 0.00 -0.02 0.00 0.00 33.50 32.82 2og1 n PRO 212 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2og1 h LEU 213 N -1.26 0.00 -2.10 2.45 7.12 -1.98 0.47 115.31 120.01 2og1 h LEU 213 Ca -0.44 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 2og1 h LEU 213 Cb 1.30 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2og1 h LEU 213 CO 0.35 0.00 -0.08 0.77 -0.13 0.00 0.00 178.44 179.35 2og1 h SER 214 N 0.00 0.00 0.82 1.25 4.64 -1.93 -0.83 113.55 117.50 2og1 h SER 214 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2og1 h SER 214 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2og1 h SER 214 CO -0.00 0.08 0.00 0.35 -0.87 0.00 0.00 176.83 176.39 2og1 n THR 215 N -3.77 0.41 0.58 2.95 -2.24 0.15 -2.75 114.28 109.62 2og1 n THR 215 Ca -0.02 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 2og1 n THR 215 Cb 0.18 -0.70 0.35 0.00 -2.10 0.00 0.00 70.33 68.06 2og1 n THR 215 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2og1 h TRP 216 N 0.00 0.00 -2.39 4.78 4.06 -1.27 -3.45 115.95 117.68 2og1 h TRP 216 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 2og1 h TRP 216 Cb 0.41 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 2og1 h TRP 216 CO 0.00 0.00 1.32 0.34 -3.56 0.00 0.00 178.44 176.54 2og1 s ASP 217 N -4.66 5.62 -0.21 -3.49 2.15 -0.59 -4.74 116.67 110.74 2og1 s ASP 217 Ca 0.10 0.99 0.15 0.00 0.43 0.00 0.00 52.55 54.22 2og1 s ASP 217 Cb 0.12 -2.53 0.64 0.00 -0.30 0.00 0.00 42.92 40.85 2og1 s ASP 217 CO 0.62 -1.98 1.56 1.33 -0.17 0.00 0.00 175.17 176.53 2og1 n VAL 218 N 7.39 2.50 -0.28 1.11 0.24 -1.26 -4.70 118.33 123.32 2og1 n VAL 218 Ca 0.23 -1.74 0.09 0.00 -2.04 0.00 0.00 64.34 60.88 2og1 n VAL 218 Cb 0.49 -0.27 0.24 0.00 -1.47 0.00 0.00 33.84 32.83 2og1 n VAL 218 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2og1 h THR 219 N 2.56 0.54 -0.01 3.34 2.02 -1.88 -1.57 112.91 117.91 2og1 h THR 219 Ca 0.02 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2og1 h THR 219 Cb 1.69 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2og1 h THR 219 CO 0.35 0.07 0.09 0.00 0.37 0.00 0.00 175.52 176.40 2og1 h ALA 220 N 1.64 1.18 -0.16 6.16 0.00 -2.01 -2.39 119.26 123.69 2og1 h ALA 220 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2og1 h ALA 220 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2og1 h ALA 220 CO -0.49 -0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.20 2og1 n ARG 221 N -3.15 1.65 -0.13 0.00 1.74 -0.59 -4.63 116.66 111.54 2og1 n ARG 221 Ca -0.02 -1.68 0.22 0.00 -0.77 0.00 0.00 57.85 55.60 2og1 n ARG 221 Cb 0.16 -1.32 0.63 0.00 -1.02 0.00 0.00 32.46 30.91 2og1 n ARG 221 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2og1 h LEU 222 N 2.99 0.15 -0.25 0.55 3.38 -1.42 0.25 115.31 120.94 2og1 h LEU 222 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2og1 h LEU 222 Cb 0.70 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2og1 h LEU 222 CO 0.00 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2og1 n GLY 223 N -1.62 -0.86 0.11 0.83 0.00 -1.22 -2.24 105.19 100.19 2og1 n GLY 223 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2og1 n GLY 223 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2og1 h GLU 224 N 0.00 0.00 -6.26 1.61 5.08 -1.25 -3.45 114.58 110.31 2og1 h GLU 224 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 2og1 h GLU 224 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2og1 h GLU 224 CO 0.00 0.62 1.09 0.42 -1.00 0.00 0.00 179.01 180.15 2og1 s ILE 225 N -2.88 3.62 -1.37 3.13 1.01 -0.95 -4.89 121.20 118.87 2og1 s ILE 225 Ca 0.02 0.74 0.15 0.00 0.00 0.00 0.00 60.65 61.57 2og1 s ILE 225 Cb 0.08 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 2og1 s ILE 225 CO 0.77 -0.09 0.82 0.29 0.00 0.00 0.00 174.94 176.73 2og1 n LYS 226 N 7.21 1.74 -2.12 2.79 5.02 -1.26 -3.98 118.16 127.56 2og1 n LYS 226 Ca 0.18 -0.75 -0.40 0.00 -2.02 0.00 0.00 58.31 55.32 2og1 n LYS 226 Cb 0.43 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 34.18 2og1 n LYS 226 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2og1 s ALA 227 N -1.86 3.43 0.13 7.82 0.00 -1.26 -4.85 121.76 125.17 2og1 s ALA 227 Ca 0.12 1.24 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 2og1 s ALA 227 Cb 0.12 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2og1 s ALA 227 CO 0.40 -0.67 1.62 0.15 0.00 0.00 0.00 175.76 177.25 2og1 s LYS 228 N -1.91 4.20 -0.03 0.00 1.02 -1.26 -4.65 119.74 117.10 2og1 s LYS 228 Ca 0.51 2.37 0.07 0.00 0.02 0.00 0.00 55.97 58.94 2og1 s LYS 228 Cb -0.39 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2og1 s LYS 228 CO 0.51 -0.67 -0.25 0.99 -0.92 0.00 0.00 175.35 175.02 2og1 s THR 229 N 1.73 2.16 -0.22 2.17 2.01 0.34 -1.25 115.64 122.58 2og1 s THR 229 Ca 0.72 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2og1 s THR 229 Cb -0.43 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.36 2og1 s THR 229 CO 0.32 0.58 -0.14 0.12 -0.69 0.00 0.00 174.62 174.80 2og1 s PHE 230 N -0.48 2.89 -0.20 4.92 5.36 0.40 -1.91 117.98 128.96 2og1 s PHE 230 Ca 0.06 -1.91 -0.10 0.00 -0.96 0.00 0.00 56.93 54.03 2og1 s PHE 230 Cb -0.11 -1.86 -0.05 0.00 -0.34 0.00 0.00 43.02 40.66 2og1 s PHE 230 CO 0.01 -0.82 0.12 0.42 -1.46 0.00 0.00 175.22 173.49 2og1 s ILE 231 N 1.24 5.32 0.03 3.12 1.01 0.32 -0.66 121.20 131.58 2og1 s ILE 231 Ca -0.02 0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.86 2og1 s ILE 231 Cb -0.17 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2og1 s ILE 231 CO -0.09 0.44 -0.20 0.42 0.00 0.00 0.00 174.94 175.51 2og1 s THR 232 N 0.42 1.61 -0.03 2.92 -4.23 0.13 -0.68 115.64 115.78 2og1 s THR 232 Ca 0.07 -1.13 -0.14 0.00 -1.18 0.00 0.00 61.69 59.31 2og1 s THR 232 Cb -0.11 -1.40 0.02 0.00 1.34 0.00 0.00 72.50 72.35 2og1 s THR 232 CO -0.01 0.23 0.31 0.86 -0.54 0.00 0.00 174.62 175.47 2og1 s TRP 233 N -0.75 -0.21 -0.12 3.99 -0.11 -0.70 -1.65 118.94 119.39 2og1 s TRP 233 Ca 0.07 0.37 -0.21 0.00 1.22 0.00 0.00 56.10 57.55 2og1 s TRP 233 Cb -0.09 0.10 -0.04 0.00 -1.50 0.00 0.00 33.47 31.95 2og1 s TRP 233 CO 0.01 -0.35 0.59 0.20 -4.62 0.00 0.00 176.95 172.78 2og1 s GLY 234 N -1.07 2.40 0.50 5.86 0.00 -1.25 -1.35 107.32 112.41 2og1 s GLY 234 Ca -0.11 -0.09 0.21 0.00 0.00 0.00 0.00 44.72 44.73 2og1 s GLY 234 CO 0.04 1.04 2.01 -0.09 0.00 0.00 0.00 173.10 176.09 2og1 h ARG 235 N 6.91 0.11 -0.82 2.90 2.43 -0.70 -2.36 114.38 122.86 2og1 h ARG 235 Ca -0.39 -0.01 -0.53 0.00 -0.81 0.00 0.00 59.98 58.24 2og1 h ARG 235 Cb 1.18 -0.02 -0.29 0.00 -0.42 0.00 0.00 29.97 30.41 2og1 h ARG 235 CO 0.76 0.07 0.24 -0.25 -1.51 0.00 0.00 179.97 179.28 2og1 n ASP 236 N -4.42 5.49 -4.63 -3.80 9.92 0.16 -4.96 116.55 114.30 2og1 n ASP 236 Ca 0.09 -3.76 -0.43 0.00 -0.53 0.00 0.00 54.79 50.16 2og1 n ASP 236 Cb 0.49 -0.74 -0.02 0.00 -0.64 0.00 0.00 41.12 40.21 2og1 n ASP 236 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2og1 s ASP 237 N -2.34 6.65 -0.05 -2.24 -1.08 -0.89 -4.43 116.67 112.29 2og1 s ASP 237 Ca 0.57 1.34 0.20 0.00 -0.52 0.00 0.00 52.55 54.14 2og1 s ASP 237 Cb 0.46 -2.54 0.67 0.00 -1.46 0.00 0.00 42.92 40.06 2og1 s ASP 237 CO 0.02 -1.08 1.58 0.54 0.52 0.00 0.00 175.17 176.75 2og1 n ARG 238 N 7.30 3.19 -0.07 4.34 1.74 -1.26 -4.49 116.66 127.41 2og1 n ARG 238 Ca 0.15 -2.76 -0.15 0.00 -0.77 0.00 0.00 57.85 54.33 2og1 n ARG 238 Cb 0.46 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 2og1 n ARG 238 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2og1 n PHE 239 N 1.38 0.00 -4.90 -1.55 7.35 -1.26 -0.73 117.46 117.74 2og1 n PHE 239 Ca 0.25 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.68 2og1 n PHE 239 Cb 0.74 -0.52 -0.16 0.00 0.35 0.00 0.00 39.48 39.89 2og1 n PHE 239 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2og1 s VAL 240 N -2.37 1.49 0.14 -2.13 -7.23 -1.26 -4.45 120.40 104.59 2og1 s VAL 240 Ca -0.22 -0.79 -0.31 0.00 -1.81 0.00 0.00 61.98 58.85 2og1 s VAL 240 Cb 0.07 -1.24 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 2og1 s VAL 240 CO 0.28 0.42 1.53 -2.16 -0.31 0.00 0.00 175.10 174.86 2og1 s PRO 241 N -0.34 4.24 0.35 4.82 0.04 -1.26 -4.77 135.00 138.08 2og1 s PRO 241 Ca 0.05 2.28 0.10 0.00 0.04 0.00 0.00 61.00 63.47 2og1 s PRO 241 Cb -0.08 -3.22 0.87 0.00 0.04 0.00 0.00 34.50 32.11 2og1 s PRO 241 CO -0.00 -0.57 1.80 1.25 0.04 0.00 0.00 177.00 179.52 2og1 h LEU 242 N 6.96 0.65 -1.22 -3.56 5.85 -1.89 0.02 115.31 122.12 2og1 h LEU 242 Ca -0.42 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2og1 h LEU 242 Cb 1.20 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2og1 h LEU 242 CO 0.90 0.24 0.00 -0.90 -0.34 0.00 0.00 178.44 178.34 2og1 n ASP 243 N -4.67 0.63 0.26 1.25 5.68 -1.26 -0.53 116.55 117.92 2og1 n ASP 243 Ca 0.22 0.74 0.16 0.00 -0.50 0.00 0.00 54.79 55.41 2og1 n ASP 243 Cb 0.63 -0.84 0.57 0.00 -1.14 0.00 0.00 41.12 40.33 2og1 n ASP 243 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2og1 h HIS 244 N 0.00 0.00 -0.30 2.11 3.86 -1.37 -1.67 115.15 117.78 2og1 h HIS 244 Ca 0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 2og1 h HIS 244 Cb 0.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2og1 h HIS 244 CO 0.00 0.00 -0.28 0.78 0.86 0.00 0.00 177.93 179.29 2og1 h GLY 245 N 2.50 0.67 1.19 2.45 0.00 -0.95 -1.67 103.07 107.25 2og1 h GLY 245 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 47.33 46.56 2og1 h GLY 245 CO 0.00 0.53 -0.54 1.41 0.00 0.00 0.00 176.54 177.95 2og1 h LEU 246 N 0.53 0.95 -0.56 3.11 3.38 -1.45 -1.51 115.31 119.76 2og1 h LEU 246 Ca 0.07 -0.50 0.06 0.00 0.09 0.00 0.00 57.88 57.60 2og1 h LEU 246 Cb 0.76 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2og1 h LEU 246 CO 0.06 1.30 0.26 0.50 0.09 0.00 0.00 178.44 180.65 2og1 h LYS 247 N 0.66 0.47 -0.46 1.13 3.64 -1.00 -0.74 116.57 120.28 2og1 h LYS 247 Ca 0.02 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 2og1 h LYS 247 Cb 1.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2og1 h LYS 247 CO 0.12 0.31 -0.26 -0.07 -2.27 0.00 0.00 179.45 177.28 2og1 h LEU 248 N 0.49 1.02 -1.48 5.20 3.38 -1.23 -2.11 115.31 120.58 2og1 h LEU 248 Ca 0.26 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2og1 h LEU 248 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2og1 h LEU 248 CO -0.21 1.21 0.26 0.25 0.09 0.00 0.00 178.44 180.04 2og1 h LEU 249 N 0.83 0.54 0.00 1.67 5.85 -0.47 -1.44 115.31 122.28 2og1 h LEU 249 Ca 0.10 -0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.56 2og1 h LEU 249 Cb 0.84 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2og1 h LEU 249 CO 0.07 0.42 -1.41 -0.50 -0.34 0.00 0.00 178.44 176.69 2og1 h TRP 250 N 0.62 0.00 0.00 1.25 4.06 -1.09 -3.40 115.95 117.39 2og1 h TRP 250 Ca 0.16 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.88 2og1 h TRP 250 Cb -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 2og1 h TRP 250 CO 0.00 0.86 -1.81 0.09 -3.56 0.00 0.00 178.44 174.02 2og1 n ASN 251 N -3.08 0.54 -4.74 -3.49 3.02 -0.80 -4.86 115.26 101.84 2og1 n ASN 251 Ca -0.10 0.24 -0.39 0.00 -0.03 0.00 0.00 54.58 54.30 2og1 n ASN 251 Cb 0.96 0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 40.60 2og1 n ASN 251 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2og1 s ILE 252 N -2.79 4.96 0.09 2.41 1.01 -0.56 -3.45 121.20 122.87 2og1 s ILE 252 Ca -0.06 1.35 -0.27 0.00 0.00 0.00 0.00 60.65 61.68 2og1 s ILE 252 Cb 0.08 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 2og1 s ILE 252 CO 0.83 0.34 1.43 -0.78 0.00 0.00 0.00 174.94 176.76 2og1 h ASP 253 N 6.19 -1.34 -4.01 3.58 3.58 -1.81 -3.36 116.42 119.25 2og1 h ASP 253 Ca -0.43 0.16 -0.68 0.00 0.42 0.00 0.00 57.03 56.50 2og1 h ASP 253 Cb 1.20 0.52 -0.37 0.00 1.72 0.00 0.00 39.33 42.40 2og1 h ASP 253 CO 0.73 -0.39 -0.40 -0.62 -2.88 0.00 0.00 179.24 175.68 2og1 s ASP 254 N -4.33 5.11 0.13 2.28 -1.08 -1.26 -5.06 116.67 112.46 2og1 s ASP 254 Ca -0.12 -3.12 0.02 0.00 -0.52 0.00 0.00 52.55 48.82 2og1 s ASP 254 Cb 0.05 -1.80 -0.04 0.00 -1.46 0.00 0.00 42.92 39.67 2og1 s ASP 254 CO 0.48 -0.28 -0.05 0.00 0.52 0.00 0.00 175.17 175.83 2og1 s ALA 255 N -0.44 1.20 0.05 3.66 0.00 -1.26 -0.51 121.76 124.46 2og1 s ALA 255 Ca 0.19 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.71 2og1 s ALA 255 Cb -0.18 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2og1 s ALA 255 CO -0.05 -0.24 -0.06 -0.98 0.00 0.00 0.00 175.76 174.43 2og1 s ARG 256 N -3.85 0.54 -0.07 0.00 3.03 -0.80 -4.98 118.95 112.82 2og1 s ARG 256 Ca 0.17 -0.86 0.04 0.00 2.03 0.00 0.00 55.73 57.12 2og1 s ARG 256 Cb 0.05 -0.16 -0.00 0.00 -1.03 0.00 0.00 34.95 33.81 2og1 s ARG 256 CO -0.01 0.01 -0.21 -1.17 -1.13 0.00 0.00 175.30 172.78 2og1 s LEU 257 N -1.89 1.99 -0.10 -1.89 2.96 -1.26 -0.52 118.68 117.97 2og1 s LEU 257 Ca -0.06 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 2og1 s LEU 257 Cb -0.06 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.40 2og1 s LEU 257 CO -0.02 0.17 -0.14 -2.28 -1.32 0.00 0.00 176.35 172.76 2og1 s HIS 258 N 0.18 1.82 -0.15 5.38 5.65 0.15 -4.99 115.29 123.34 2og1 s HIS 258 Ca -0.11 -0.80 0.00 0.00 0.25 0.00 0.00 55.06 54.40 2og1 s HIS 258 Cb -0.15 -1.32 -0.00 0.00 -1.18 0.00 0.00 32.58 29.92 2og1 s HIS 258 CO 0.06 -0.41 -0.16 0.08 -0.65 0.00 0.00 174.74 173.65 2og1 s VAL 259 N 0.89 2.67 -0.07 0.89 1.01 -1.26 -1.72 120.40 122.81 2og1 s VAL 259 Ca -0.09 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 2og1 s VAL 259 Cb -0.15 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2og1 s VAL 259 CO 0.00 0.52 0.38 -0.36 0.00 0.00 0.00 175.10 175.65 2og1 s PHE 260 N 0.72 3.61 0.47 5.22 0.40 -0.46 -4.88 117.98 123.06 2og1 s PHE 260 Ca -0.07 0.85 -0.12 0.00 -0.60 0.00 0.00 56.93 57.00 2og1 s PHE 260 Cb -0.16 -2.34 -0.06 0.00 0.51 0.00 0.00 43.02 40.97 2og1 s PHE 260 CO 0.01 0.45 0.86 0.45 0.70 0.00 0.00 175.22 177.69 2og1 s SER 261 N -0.33 6.50 -1.33 1.36 0.15 -1.26 -0.40 113.70 118.38 2og1 s SER 261 Ca 0.22 1.27 -0.03 0.00 0.70 0.00 0.00 55.95 58.12 2og1 s SER 261 Cb -0.15 -2.39 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2og1 s SER 261 CO 0.10 -0.52 0.57 0.29 1.20 0.00 0.00 173.24 174.88 2og1 n LYS 262 N -1.63 -3.57 -3.74 5.44 5.02 -1.26 -4.90 118.16 113.52 2og1 n LYS 262 Ca 0.04 0.49 -0.14 0.00 -2.02 0.00 0.00 58.31 56.68 2og1 n LYS 262 Cb 0.54 -4.72 -0.15 0.00 -0.02 0.00 0.00 35.03 30.68 2og1 n LYS 262 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2og1 n GLY 264 N 4.37 0.58 0.34 0.00 0.00 -1.26 -0.67 105.19 108.55 2og1 n GLY 264 Ca -0.24 -1.56 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 2og1 n GLY 264 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2og1 h HIS 265 N 0.00 1.17 -1.60 1.61 -0.00 -1.09 -3.34 115.15 111.90 2og1 h HIS 265 Ca 0.00 -0.07 -0.72 0.00 -0.00 0.00 0.00 60.37 59.58 2og1 h HIS 265 Cb 0.00 -0.36 -0.14 0.00 -0.00 0.00 0.00 27.41 26.92 2og1 h HIS 265 CO 0.00 0.87 1.74 0.91 -0.00 0.00 0.00 177.93 181.45 2og1 n TRP 266 N -4.29 4.78 0.00 5.26 8.01 -1.26 -4.60 117.44 125.35 2og1 n TRP 266 Ca 0.07 -3.14 0.02 0.00 -1.31 0.00 0.00 57.50 53.15 2og1 n TRP 266 Cb 0.17 -2.37 0.37 0.00 -2.01 0.00 0.00 31.31 27.47 2og1 n TRP 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2og1 h ALA 267 N 7.25 1.57 0.00 6.99 0.00 -1.95 0.20 119.26 133.32 2og1 h ALA 267 Ca 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2og1 h ALA 267 Cb 0.86 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2og1 h ALA 267 CO 1.35 0.34 -0.04 -0.56 0.00 0.00 0.00 179.25 180.34 2og1 h GLN 268 N 0.53 0.00 0.00 0.00 -0.00 -1.86 -2.41 115.11 111.37 2og1 h GLN 268 Ca 0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.47 2og1 h GLN 268 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.53 2og1 h GLN 268 CO -0.01 0.04 -2.00 1.87 -0.00 0.00 0.00 178.83 178.73 2og1 n TRP 269 N -3.16 0.00 0.18 0.06 -0.00 -0.70 -3.70 117.44 110.12 2og1 n TRP 269 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.54 2og1 n TRP 269 Cb 0.31 -0.69 0.35 0.00 -0.00 0.00 0.00 31.31 31.28 2og1 n TRP 269 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 2og1 h GLU 270 N -0.72 0.00 -1.30 5.87 4.81 -0.76 -3.18 114.58 119.30 2og1 h GLU 270 Ca -0.47 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.28 2og1 h GLU 270 Cb 1.38 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.35 2og1 h GLU 270 CO -0.28 0.40 -0.95 0.72 -0.73 0.00 0.00 179.01 178.17 2og1 n HIS 271 N -3.78 2.35 -0.05 0.92 8.25 -0.91 -4.96 115.22 117.05 2og1 n HIS 271 Ca -0.01 -2.99 -0.08 0.00 -0.26 0.00 0.00 57.72 54.38 2og1 n HIS 271 Cb 0.47 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 2og1 n HIS 271 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2og1 h ALA 272 N 2.78 0.01 -0.30 -1.41 0.00 -1.60 -0.52 119.26 118.23 2og1 h ALA 272 Ca 0.11 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2og1 h ALA 272 Cb 1.03 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2og1 h ALA 272 CO 0.68 -0.57 0.09 0.22 0.00 0.00 0.00 179.25 179.67 2og1 h ASP 273 N -0.15 0.08 -0.31 0.00 -0.00 -1.89 0.19 116.42 114.34 2og1 h ASP 273 Ca 0.13 0.04 -0.01 0.00 -0.00 0.00 0.00 57.03 57.19 2og1 h ASP 273 Cb 0.34 0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.70 2og1 h ASP 273 CO -0.32 0.08 0.14 -0.33 -0.00 0.00 0.00 179.24 178.80 2og1 h GLU 274 N 0.21 0.45 -0.30 0.28 5.08 -1.90 -1.63 114.58 116.77 2og1 h GLU 274 Ca 0.14 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2og1 h GLU 274 Cb 0.12 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2og1 h GLU 274 CO -0.15 0.44 0.13 0.35 -1.00 0.00 0.00 179.01 178.78 2og1 h PHE 275 N 0.35 0.25 -0.26 4.33 3.57 -0.71 -0.80 116.94 123.67 2og1 h PHE 275 Ca 0.10 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2og1 h PHE 275 Cb 0.15 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2og1 h PHE 275 CO -0.01 0.13 0.14 -0.91 -2.23 0.00 0.00 178.31 175.43 2og1 h ASN 276 N 0.29 0.22 -0.43 0.41 2.35 -0.46 -0.36 115.58 117.60 2og1 h ASN 276 Ca 0.13 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2og1 h ASN 276 Cb 0.06 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2og1 h ASN 276 CO -0.10 0.16 0.22 0.03 -1.65 0.00 0.00 177.43 176.09 2og1 h ARG 277 N 0.29 0.60 -0.17 0.81 3.08 -1.05 -0.77 114.38 117.18 2og1 h ARG 277 Ca 0.10 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2og1 h ARG 277 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2og1 h ARG 277 CO -0.06 0.50 0.04 -0.07 -1.07 0.00 0.00 179.97 179.32 2og1 h LEU 278 N 0.55 0.25 -0.48 3.04 3.38 -0.96 -1.83 115.31 119.26 2og1 h LEU 278 Ca 0.15 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2og1 h LEU 278 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2og1 h LEU 278 CO -0.02 0.41 -0.31 0.58 0.09 0.00 0.00 178.44 179.19 2og1 h VAL 279 N 0.08 1.27 -0.71 1.22 2.07 -1.01 -1.44 116.25 117.73 2og1 h VAL 279 Ca 0.05 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 2og1 h VAL 279 Cb 0.26 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2og1 h VAL 279 CO 0.00 0.50 0.18 0.40 0.02 0.00 0.00 177.57 178.67 2og1 h ILE 280 N 0.77 1.26 -0.67 4.57 2.04 -1.15 -0.31 117.51 124.03 2og1 h ILE 280 Ca 0.08 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 2og1 h ILE 280 Cb 0.88 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 2og1 h ILE 280 CO 0.08 0.37 0.17 -0.78 0.00 0.00 0.00 178.15 177.99 2og1 h ASP 281 N 1.07 0.99 -0.16 1.72 1.82 -1.17 -1.31 116.42 119.38 2og1 h ASP 281 Ca 0.22 -0.20 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2og1 h ASP 281 Cb 0.36 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 2og1 h ASP 281 CO 0.00 0.95 0.06 0.15 -1.61 0.00 0.00 179.24 178.79 2og1 h PHE 282 N 1.00 0.24 -0.68 0.28 3.04 -0.73 0.42 116.94 120.53 2og1 h PHE 282 Ca 0.21 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 2og1 h PHE 282 Cb 0.34 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.75 2og1 h PHE 282 CO 0.03 0.33 0.33 -0.07 -2.02 0.00 0.00 178.31 176.91 2og1 h LEU 283 N 0.09 0.86 0.10 0.59 3.38 -0.86 -0.85 115.31 118.61 2og1 h LEU 283 Ca 0.05 -0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 2og1 h LEU 283 Cb 0.19 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 40.75 2og1 h LEU 283 CO -0.00 0.72 -1.10 0.03 0.09 0.00 0.00 178.44 178.17 2og1 h ARG 284 N 0.95 0.57 -0.00 1.13 3.08 -1.07 -3.41 114.38 115.64 2og1 h ARG 284 Ca 0.24 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2og1 h ARG 284 Cb 0.08 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2og1 h ARG 284 CO -0.03 1.33 -0.21 0.72 -1.07 0.00 0.00 179.97 180.71 2og1 n HIS 285 N -3.89 0.00 1.31 3.04 8.25 0.12 -5.10 115.22 118.95 2og1 n HIS 285 Ca -0.13 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.43 2og1 n HIS 285 Cb 0.92 0.00 0.62 0.00 1.12 0.00 0.00 29.99 32.65 2og1 n HIS 285 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98