#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1i s ALA 0 N 0.00 3.61 0.17 -2.53 0.00 -1.26 -5.15 121.76 116.59 2h1i s ALA 0 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2h1i s ALA 0 Cb 0.00 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 2h1i s ALA 0 CO 0.00 -1.12 0.98 0.15 0.00 0.00 0.00 175.76 175.76 2h1i s LYS 3 N 3.11 4.74 0.19 0.00 3.01 -1.26 -4.41 119.74 125.12 2h1i s LYS 3 Ca 0.39 1.51 -0.23 0.00 -1.01 0.00 0.00 55.97 56.62 2h1i s LYS 3 Cb -0.14 -3.32 0.05 0.00 -1.01 0.00 0.00 37.83 33.40 2h1i s LYS 3 CO 0.10 0.31 0.77 -3.38 0.51 0.00 0.00 175.35 173.66 2h1i s HIS 4 N -0.49 -0.26 -0.05 3.18 -3.43 -1.26 -0.98 115.29 111.99 2h1i s HIS 4 Ca 0.45 -0.08 0.02 0.00 -0.80 0.00 0.00 55.06 54.65 2h1i s HIS 4 Cb -0.25 0.64 0.01 0.00 -1.43 0.00 0.00 32.58 31.56 2h1i s HIS 4 CO 0.32 -0.99 -0.10 0.08 -2.00 0.00 0.00 174.74 172.05 2h1i s VAL 5 N -3.64 0.92 -0.12 -5.38 1.01 -0.27 -5.01 120.40 107.90 2h1i s VAL 5 Ca 0.09 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2h1i s VAL 5 Cb -0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2h1i s VAL 5 CO 0.00 0.30 -0.17 0.12 0.00 0.00 0.00 175.10 175.36 2h1i s PHE 6 N 0.65 2.72 -0.19 5.22 5.36 -1.26 -2.03 117.98 128.46 2h1i s PHE 6 Ca -0.12 -0.76 0.01 0.00 -0.96 0.00 0.00 56.93 55.10 2h1i s PHE 6 Cb -0.14 -1.79 0.03 0.00 -0.34 0.00 0.00 43.02 40.77 2h1i s PHE 6 CO 0.02 -0.26 -0.18 -0.65 -1.46 0.00 0.00 175.22 172.69 2h1i s GLN 7 N 0.30 2.76 0.36 10.12 -0.21 -0.05 -5.00 119.66 127.94 2h1i s GLN 7 Ca -0.13 -0.85 -0.27 0.00 0.02 0.00 0.00 55.36 54.13 2h1i s GLN 7 Cb -0.16 -2.53 -0.09 0.00 1.00 0.00 0.00 33.01 31.22 2h1i s GLN 7 CO 0.07 -0.26 1.25 0.21 -2.12 0.00 0.00 175.29 174.43 2h1i s LYS 8 N 1.30 4.21 0.35 2.91 2.47 -1.26 -0.91 119.74 128.82 2h1i s LYS 8 Ca 0.03 2.08 0.03 0.00 -1.56 0.00 0.00 55.97 56.54 2h1i s LYS 8 Cb -0.14 -2.91 -0.02 0.00 -1.46 0.00 0.00 37.83 33.30 2h1i s LYS 8 CO -0.12 -0.26 0.52 0.20 0.16 0.00 0.00 175.35 175.86 2h1i s GLY 9 N -0.74 1.42 0.21 5.54 0.00 -1.26 -4.78 107.32 107.72 2h1i s GLY 9 Ca 0.52 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2h1i s GLY 9 CO 0.47 -1.05 1.51 0.50 0.00 0.00 0.00 173.10 174.53 2h1i h LYS 10 N 0.78 0.35 -4.34 2.90 1.57 -1.62 -3.39 116.57 112.82 2h1i h LYS 10 Ca -0.48 -0.25 -0.69 0.00 -1.87 0.00 0.00 60.65 57.35 2h1i h LYS 10 Cb 1.24 0.04 -0.35 0.00 0.08 0.00 0.00 32.23 33.24 2h1i h LYS 10 CO 0.58 0.87 -0.52 0.34 -0.57 0.00 0.00 179.45 180.16 2h1i s ASP 11 N -6.92 5.26 0.00 0.86 -1.08 -0.70 -4.96 116.67 109.13 2h1i s ASP 11 Ca -0.05 -2.16 0.19 0.00 -0.52 0.00 0.00 52.55 50.01 2h1i s ASP 11 Cb 0.11 -1.84 0.83 0.00 -1.46 0.00 0.00 42.92 40.56 2h1i s ASP 11 CO 0.82 -0.52 1.62 0.35 0.52 0.00 0.00 175.17 177.96 2h1i n THR 12 N 4.43 0.67 0.29 1.71 -2.24 -1.26 -2.32 114.28 115.55 2h1i n THR 12 Ca -0.01 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 2h1i n THR 12 Cb 0.41 -0.83 0.27 0.00 -2.10 0.00 0.00 70.33 68.08 2h1i n THR 12 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2h1i h SER 13 N 0.00 0.00 -4.15 3.42 4.64 -1.94 -3.45 113.55 112.07 2h1i h SER 13 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2h1i h SER 13 Cb 0.33 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.49 2h1i h SER 13 CO 0.00 0.00 0.39 -0.54 -0.87 0.00 0.00 176.83 175.81 2h1i s LYS 14 N -3.25 3.28 0.63 4.77 -0.14 -0.98 -5.00 119.74 119.05 2h1i s LYS 14 Ca 0.07 1.39 -0.18 0.00 -1.36 0.00 0.00 55.97 55.89 2h1i s LYS 14 Cb 0.07 -2.02 -0.05 0.00 -1.68 0.00 0.00 37.83 34.15 2h1i s LYS 14 CO 0.64 -0.86 0.83 -0.35 -0.76 0.00 0.00 175.35 174.84 2h1i n PRO 15 N -1.75 0.69 -3.06 -1.68 -0.04 -1.26 -4.74 135.00 123.15 2h1i n PRO 15 Ca 0.10 0.28 -0.41 0.00 -0.04 0.00 0.00 63.50 63.43 2h1i n PRO 15 Cb 0.52 -2.04 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 2h1i n PRO 15 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2h1i s VAL 16 N -1.64 4.95 -0.31 0.52 1.01 0.24 -4.31 120.40 120.86 2h1i s VAL 16 Ca 0.74 1.20 -0.27 0.00 0.00 0.00 0.00 61.98 63.64 2h1i s VAL 16 Cb -0.40 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.01 2h1i s VAL 16 CO 0.49 -0.01 0.99 -0.76 0.00 0.00 0.00 175.10 175.81 2h1i s LEU 17 N 2.59 3.99 -0.36 3.92 1.43 -0.64 -1.78 118.68 127.83 2h1i s LEU 17 Ca 0.28 0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 54.18 2h1i s LEU 17 Cb -0.15 -3.41 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 2h1i s LEU 17 CO 0.09 -0.78 0.43 -0.22 0.23 0.00 0.00 176.35 176.09 2h1i s LEU 18 N 3.41 4.49 -0.20 1.79 2.96 -0.51 -1.35 118.68 129.27 2h1i s LEU 18 Ca 0.42 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 2h1i s LEU 18 Cb -0.13 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2h1i s LEU 18 CO 0.14 -0.43 0.29 -0.76 -1.32 0.00 0.00 176.35 174.27 2h1i s LEU 19 N 2.17 4.16 -0.25 -0.68 1.43 0.43 -0.84 118.68 125.10 2h1i s LEU 19 Ca 0.14 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2h1i s LEU 19 Cb -0.16 -2.35 0.07 0.00 0.03 0.00 0.00 46.19 43.78 2h1i s LEU 19 CO 0.13 0.01 -0.03 -0.76 0.23 0.00 0.00 176.35 175.93 2h1i s LEU 20 N 1.02 2.77 0.89 1.79 1.43 -0.91 -2.07 118.68 123.60 2h1i s LEU 20 Ca 0.15 -1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 51.81 2h1i s LEU 20 Cb -0.14 -1.20 0.12 0.00 0.03 0.00 0.00 46.19 45.01 2h1i s LEU 20 CO 0.06 -0.26 1.09 -1.38 0.23 0.00 0.00 176.35 176.08 2h1i s HIS 21 N 1.36 2.36 0.95 0.29 -3.43 -1.26 -1.78 115.29 113.78 2h1i s HIS 21 Ca -0.03 1.23 -0.16 0.00 -0.80 0.00 0.00 55.06 55.30 2h1i s HIS 21 Cb -0.19 -3.16 0.22 0.00 -1.43 0.00 0.00 32.58 28.02 2h1i s HIS 21 CO -0.08 -2.35 1.22 0.41 -2.00 0.00 0.00 174.74 171.94 2h1i n GLY 22 N -1.23 -1.67 3.69 -1.38 0.00 -1.19 -2.14 105.19 101.26 2h1i n GLY 22 Ca 0.07 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 2h1i n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2h1i n THR 23 N -3.87 0.37 -0.99 2.61 -1.04 -1.26 -1.26 114.28 108.84 2h1i n THR 23 Ca 0.15 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2h1i n THR 23 Cb 0.54 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 2h1i n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2h1i n GLY 24 N 4.19 0.45 0.00 3.41 0.00 0.13 -4.98 105.19 108.40 2h1i n GLY 24 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2h1i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h1i n GLY 25 N -2.25 1.05 3.86 -0.02 0.00 -0.39 -4.60 105.19 102.84 2h1i n GLY 25 Ca 0.00 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 2h1i n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1i s ASN 26 N -1.00 -0.00 0.00 1.61 2.20 -1.26 -4.36 114.94 112.13 2h1i s ASN 26 Ca 0.00 -0.81 0.20 0.00 -0.94 0.00 0.00 52.86 51.31 2h1i s ASN 26 Cb 0.00 0.61 0.98 0.00 -2.00 0.00 0.00 41.25 40.83 2h1i s ASN 26 CO 0.00 -1.20 1.63 -1.84 -2.94 0.00 0.00 177.10 172.75 2h1i n GLU 27 N -0.64 0.22 0.00 3.55 0.00 -1.26 -2.07 120.64 120.44 2h1i n GLU 27 Ca -0.05 0.11 0.10 0.00 0.00 0.00 0.00 57.16 57.32 2h1i n GLU 27 Cb 0.60 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.42 2h1i n GLU 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2h1i n LEU 28 N -1.34 0.97 -0.21 -1.84 4.77 -1.26 -4.57 117.00 113.53 2h1i n LEU 28 Ca 0.08 -0.51 0.01 0.00 -0.03 0.00 0.00 56.01 55.57 2h1i n LEU 28 Cb 0.18 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 2h1i n LEU 28 CO 0.16 0.24 0.96 0.44 -1.33 0.00 0.00 177.39 177.86 2h1i h ASP 29 N 0.05 0.12 -0.35 -1.43 3.32 -1.83 -3.16 116.42 113.13 2h1i h ASP 29 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2h1i h ASP 29 Cb 0.48 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2h1i h ASP 29 CO 0.00 0.07 0.00 0.18 -1.72 0.00 0.00 179.24 177.77 2h1i n LEU 30 N -5.06 3.16 -0.25 1.55 4.77 -1.26 -4.50 117.00 115.40 2h1i n LEU 30 Ca 0.10 -1.58 0.03 0.00 -0.03 0.00 0.00 56.01 54.53 2h1i n LEU 30 Cb 0.32 -0.23 0.16 0.00 -2.33 0.00 0.00 43.42 41.34 2h1i n LEU 30 CO 0.19 0.71 1.04 -0.07 -1.33 0.00 0.00 177.39 177.93 2h1i h LEU 31 N 3.57 0.37 -2.06 2.23 3.38 -1.81 -0.52 115.31 120.47 2h1i h LEU 31 Ca 0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2h1i h LEU 31 Cb 0.85 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2h1i h LEU 31 CO 0.00 0.19 -0.07 -0.65 0.09 0.00 0.00 178.44 177.99 2h1i h PRO 32 N 0.52 0.00 -0.68 1.13 0.11 -1.82 -1.99 132.00 129.27 2h1i h PRO 32 Ca 0.38 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 2h1i h PRO 32 Cb 0.49 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 2h1i h PRO 32 CO -0.33 0.07 0.23 1.25 -0.21 0.00 0.00 178.00 179.01 2h1i h LEU 33 N 0.00 0.97 -0.52 2.35 5.85 -1.40 -1.79 115.31 120.76 2h1i h LEU 33 Ca -0.00 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 2h1i h LEU 33 Cb 0.16 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2h1i h LEU 33 CO 0.01 0.90 -0.08 0.00 -0.34 0.00 0.00 178.44 178.93 2h1i h ALA 34 N 1.10 0.71 -0.82 1.25 0.00 -1.16 0.81 119.26 121.15 2h1i h ALA 34 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2h1i h ALA 34 Cb 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2h1i h ALA 34 CO -0.01 0.60 0.52 1.49 0.00 0.00 0.00 179.25 181.84 2h1i h GLU 35 N 0.84 1.10 -0.02 0.00 4.57 -1.29 0.26 114.58 120.04 2h1i h GLU 35 Ca 0.14 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2h1i h GLU 35 Cb 0.64 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2h1i h GLU 35 CO 0.04 0.75 -0.00 0.82 -1.18 0.00 0.00 179.01 179.44 2h1i h ILE 36 N 1.12 1.28 -0.34 2.32 2.04 -1.11 -3.09 117.51 119.73 2h1i h ILE 36 Ca 0.30 -0.85 -0.16 0.00 1.00 0.00 0.00 64.86 65.15 2h1i h ILE 36 Cb -0.08 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2h1i h ILE 36 CO -0.06 0.22 -0.42 0.58 0.00 0.00 0.00 178.15 178.47 2h1i h VAL 37 N -0.31 1.28 -0.73 1.67 2.07 -0.46 -3.42 116.25 116.34 2h1i h VAL 37 Ca 0.00 -1.60 0.08 0.00 0.82 0.00 0.00 66.70 66.00 2h1i h VAL 37 Cb 0.37 1.47 -0.20 0.00 -1.52 0.00 0.00 31.29 31.40 2h1i h VAL 37 CO 0.00 0.53 -0.26 -0.62 0.02 0.00 0.00 177.57 177.23 2h1i s ASP 38 N -6.86 -1.18 0.35 0.57 -1.08 0.87 -4.90 116.67 104.44 2h1i s ASP 38 Ca -0.10 0.01 0.25 0.00 -0.52 0.00 0.00 52.55 52.19 2h1i s ASP 38 Cb 0.11 1.70 1.25 0.00 -1.46 0.00 0.00 42.92 44.52 2h1i s ASP 38 CO 0.87 -0.20 1.77 0.77 0.52 0.00 0.00 175.17 178.90 2h1i h SER 39 N 7.50 0.00 -0.01 -0.34 4.64 -1.61 -2.78 113.55 120.95 2h1i h SER 39 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2h1i h SER 39 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2h1i h SER 39 CO 0.06 0.00 -0.58 -0.62 -0.87 0.00 0.00 176.83 174.81 2h1i n GLU 40 N -2.39 1.18 -2.71 4.77 -0.58 -1.26 -4.72 120.64 114.93 2h1i n GLU 40 Ca -0.00 -0.61 -0.38 0.00 -0.42 0.00 0.00 57.16 55.75 2h1i n GLU 40 Cb 0.12 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 2h1i n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h1i s ALA 41 N -2.44 3.25 0.76 0.62 0.00 -1.05 -1.72 121.76 121.18 2h1i s ALA 41 Ca 0.13 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 2h1i s ALA 41 Cb 0.15 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2h1i s ALA 41 CO 0.60 0.10 1.02 0.43 0.00 0.00 0.00 175.76 177.92 2h1i n SER 42 N 0.78 0.57 -3.86 0.00 7.64 -1.26 -4.37 113.62 113.13 2h1i n SER 42 Ca 0.01 0.63 -0.16 0.00 1.01 0.00 0.00 58.87 60.36 2h1i n SER 42 Cb 0.49 -1.43 -0.16 0.00 -1.01 0.00 0.00 64.21 62.10 2h1i n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2h1i s VAL 43 N -1.92 0.24 -0.16 0.44 1.01 -0.09 -1.63 120.40 118.30 2h1i s VAL 43 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2h1i s VAL 43 Cb -0.32 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 35.80 2h1i s VAL 43 CO 0.51 0.13 -0.09 -0.22 0.00 0.00 0.00 175.10 175.43 2h1i s LEU 44 N 0.66 1.75 0.04 3.92 2.96 -0.45 -0.87 118.68 126.68 2h1i s LEU 44 Ca -0.07 -0.62 0.07 0.00 -0.22 0.00 0.00 54.13 53.30 2h1i s LEU 44 Cb -0.10 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 2h1i s LEU 44 CO -0.01 -0.13 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.74 2h1i s SER 45 N 1.54 2.51 -0.00 3.68 1.04 -0.86 -0.43 113.70 121.18 2h1i s SER 45 Ca 0.02 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.98 2h1i s SER 45 Cb -0.14 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 2h1i s SER 45 CO -0.09 0.18 -0.11 -0.69 0.98 0.00 0.00 173.24 173.51 2h1i s VAL 46 N -0.77 0.88 -0.02 5.02 1.01 -0.88 -1.12 120.40 124.54 2h1i s VAL 46 Ca 0.08 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2h1i s VAL 46 Cb -0.09 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 2h1i s VAL 46 CO 0.01 0.22 0.40 -0.60 0.00 0.00 0.00 175.10 175.14 2h1i s ARG 47 N -0.33 3.93 0.76 2.72 3.52 -0.16 -4.34 118.95 125.06 2h1i s ARG 47 Ca 0.04 0.39 -0.14 0.00 -0.13 0.00 0.00 55.73 55.89 2h1i s ARG 47 Cb -0.05 -3.24 0.06 0.00 -1.56 0.00 0.00 34.95 30.17 2h1i s ARG 47 CO -0.00 0.65 1.18 0.20 -0.81 0.00 0.00 175.30 176.52 2h1i s GLY 48 N -0.94 2.15 0.00 8.12 0.00 -1.26 -4.46 107.32 110.93 2h1i s GLY 48 Ca 0.23 0.74 0.24 0.00 0.00 0.00 0.00 44.72 45.93 2h1i s GLY 48 CO 0.13 1.14 1.23 0.70 0.00 0.00 0.00 173.10 176.30 2h1i n ASN 49 N -3.05 1.06 -4.83 1.64 3.02 -1.14 -4.59 115.26 107.36 2h1i n ASN 49 Ca 0.12 -0.86 -0.30 0.00 -0.03 0.00 0.00 54.58 53.52 2h1i n ASN 49 Cb 0.51 0.50 -0.05 0.00 -0.61 0.00 0.00 39.78 40.12 2h1i n ASN 49 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2h1i s VAL 50 N -2.79 4.83 0.02 2.41 1.01 -0.69 -4.98 120.40 120.21 2h1i s VAL 50 Ca 0.14 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.50 2h1i s VAL 50 Cb 0.18 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2h1i s VAL 50 CO 0.69 0.07 -0.26 -0.76 0.00 0.00 0.00 175.10 174.84 2h1i s LEU 51 N -2.61 2.13 -0.17 3.92 1.43 -1.26 -0.46 118.68 121.65 2h1i s LEU 51 Ca 0.32 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2h1i s LEU 51 Cb -0.12 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.84 2h1i s LEU 51 CO 0.24 0.28 0.01 -0.70 0.23 0.00 0.00 176.35 176.42 2h1i s GLU 52 N -1.00 0.84 -1.37 1.70 2.12 -1.26 -4.84 118.70 114.89 2h1i s GLU 52 Ca 0.11 -0.38 -0.14 0.00 0.36 0.00 0.00 54.97 54.91 2h1i s GLU 52 Cb -0.10 -1.93 0.02 0.00 0.26 0.00 0.00 34.13 32.38 2h1i s GLU 52 CO 0.01 -0.54 0.38 0.09 -0.54 0.00 0.00 175.26 174.66 2h1i n ASN 53 N 5.01 -1.64 -2.22 -1.70 5.03 -1.26 -4.75 115.26 113.73 2h1i n ASN 53 Ca -0.09 -1.22 -0.03 0.00 0.87 0.00 0.00 54.58 54.11 2h1i n ASN 53 Cb 0.48 -2.02 0.00 0.00 -1.02 0.00 0.00 39.78 37.22 2h1i n ASN 53 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2h1i n GLY 54 N -2.23 -0.93 3.43 7.41 0.00 -1.26 -5.16 105.19 106.45 2h1i n GLY 54 Ca -0.23 0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2h1i n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2h1i s PRO 56 N -2.22 2.37 0.14 1.61 0.02 -1.26 -5.05 135.00 130.61 2h1i s PRO 56 Ca 0.08 -0.77 -0.06 0.00 0.02 0.00 0.00 61.00 60.27 2h1i s PRO 56 Cb -0.02 -2.27 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 2h1i s PRO 56 CO 0.39 0.60 0.20 1.03 -0.33 0.00 0.00 177.00 178.89 2h1i s ARG 57 N -0.73 1.04 0.03 5.54 0.52 0.40 0.22 118.95 125.97 2h1i s ARG 57 Ca 0.11 -1.24 0.07 0.00 -0.52 0.00 0.00 55.73 54.15 2h1i s ARG 57 Cb -0.10 0.33 -0.23 0.00 0.52 0.00 0.00 34.95 35.46 2h1i s ARG 57 CO 0.00 -0.35 0.95 0.74 0.02 0.00 0.00 175.30 176.66 2h1i h PHE 58 N 2.68 0.10 -3.69 -0.53 -1.00 -1.89 -1.79 116.94 110.82 2h1i h PHE 58 Ca -0.33 -0.08 -0.08 0.00 2.81 0.00 0.00 57.97 60.30 2h1i h PHE 58 Cb 1.21 -0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.68 2h1i h PHE 58 CO 0.42 1.09 -0.12 -0.59 -1.61 0.00 0.00 178.31 177.49 2h1i s PHE 59 N -2.65 0.44 0.09 -0.55 -0.12 -1.26 -4.42 117.98 109.51 2h1i s PHE 59 Ca -0.04 -0.79 -0.24 0.00 -0.05 0.00 0.00 56.93 55.81 2h1i s PHE 59 Cb 0.09 0.17 -0.07 0.00 -0.63 0.00 0.00 43.02 42.58 2h1i s PHE 59 CO 0.83 -1.02 0.74 0.50 -0.05 0.00 0.00 175.22 176.22 2h1i s ARG 60 N -3.88 4.48 0.32 1.99 3.52 -1.26 -4.97 118.95 119.15 2h1i s ARG 60 Ca 0.23 1.05 0.10 0.00 -0.13 0.00 0.00 55.73 56.98 2h1i s ARG 60 Cb -0.01 -3.31 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2h1i s ARG 60 CO 0.10 0.44 -0.03 -0.98 -0.81 0.00 0.00 175.30 174.02 2h1i s ARG 61 N -0.60 2.03 -0.02 5.12 1.70 -1.26 -1.14 118.95 124.78 2h1i s ARG 61 Ca 0.36 -1.71 0.14 0.00 -0.47 0.00 0.00 55.73 54.06 2h1i s ARG 61 Cb -0.21 -1.93 -0.22 0.00 -0.57 0.00 0.00 34.95 32.02 2h1i s ARG 61 CO 0.23 0.21 0.31 1.28 -1.08 0.00 0.00 175.30 176.26 2h1i n LEU 62 N -0.88 0.01 -3.63 -1.89 4.77 -0.04 -4.73 117.00 110.61 2h1i n LEU 62 Ca -0.05 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 2h1i n LEU 62 Cb 0.61 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 2h1i n LEU 62 CO 0.42 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.47 2h1i s ALA 63 N -2.97 -2.11 0.16 -1.18 0.00 -1.20 -5.03 121.76 109.43 2h1i s ALA 63 Ca -0.05 0.79 -0.33 0.00 0.00 0.00 0.00 51.96 52.37 2h1i s ALA 63 Cb 0.09 0.32 -0.13 0.00 0.00 0.00 0.00 23.12 23.40 2h1i s ALA 63 CO 0.59 -0.96 1.66 -1.91 0.00 0.00 0.00 175.76 175.15 2h1i n GLU 64 N -0.41 2.40 -0.96 0.00 2.13 -1.26 -1.13 120.64 121.42 2h1i n GLU 64 Ca -0.07 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2h1i n GLU 64 Cb 0.62 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.65 2h1i n GLU 64 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2h1i n GLY 65 N 3.71 0.65 3.01 8.31 0.00 -1.26 -4.99 105.19 114.62 2h1i n GLY 65 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2h1i n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h1i s ILE 66 N -2.75 1.36 -0.02 -0.61 -1.09 -0.28 -5.09 121.20 112.71 2h1i s ILE 66 Ca 0.00 -0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 57.88 2h1i s ILE 66 Cb 0.00 -1.27 -0.04 0.00 -1.58 0.00 0.00 42.46 39.57 2h1i s ILE 66 CO 0.00 0.42 0.04 -0.36 -1.23 0.00 0.00 174.94 173.81 2h1i s PHE 67 N 1.22 3.20 -0.40 3.97 2.99 -1.26 -0.86 117.98 126.84 2h1i s PHE 67 Ca -0.02 0.17 -0.28 0.00 0.00 0.00 0.00 56.93 56.80 2h1i s PHE 67 Cb -0.14 -1.73 -0.01 0.00 0.00 0.00 0.00 43.02 41.14 2h1i s PHE 67 CO -0.04 0.51 1.72 0.34 -0.00 0.00 0.00 175.22 177.75 2h1i s ASP 68 N -1.48 5.88 0.24 1.36 -1.08 -0.29 -4.76 116.67 116.54 2h1i s ASP 68 Ca 0.19 1.01 0.03 0.00 -0.52 0.00 0.00 52.55 53.26 2h1i s ASP 68 Cb -0.12 -2.53 0.27 0.00 -1.46 0.00 0.00 42.92 39.08 2h1i s ASP 68 CO 0.10 -1.77 1.59 -0.08 0.52 0.00 0.00 175.17 175.52 2h1i h GLU 69 N 12.76 0.35 -0.12 4.34 4.81 -1.97 -0.66 114.58 134.09 2h1i h GLU 69 Ca -0.31 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 2h1i h GLU 69 Cb 1.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2h1i h GLU 69 CO 1.08 0.78 -0.34 1.49 -0.73 0.00 0.00 179.01 181.29 2h1i h GLU 70 N 0.27 0.24 0.20 1.92 4.81 -1.96 -2.50 114.58 117.57 2h1i h GLU 70 Ca 0.01 -0.10 -0.29 0.00 -0.13 0.00 0.00 59.36 58.85 2h1i h GLU 70 Cb 1.01 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.40 2h1i h GLU 70 CO 0.09 0.56 -1.34 0.22 -0.73 0.00 0.00 179.01 177.81 2h1i h ASP 71 N 0.21 0.66 -0.34 1.04 3.58 -1.78 -2.59 116.42 117.20 2h1i h ASP 71 Ca 0.03 -0.93 0.06 0.00 0.42 0.00 0.00 57.03 56.61 2h1i h ASP 71 Cb 0.71 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 2h1i h ASP 71 CO 0.05 1.63 0.02 0.25 -2.88 0.00 0.00 179.24 178.32 2h1i h LEU 72 N -0.05 -0.09 -0.20 2.28 5.85 -1.07 0.17 115.31 122.20 2h1i h LEU 72 Ca -0.25 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2h1i h LEU 72 Cb 1.97 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 43.09 2h1i h LEU 72 CO 0.20 -0.01 -0.03 0.40 -0.34 0.00 0.00 178.44 178.67 2h1i h ILE 73 N 0.13 0.83 -0.61 4.05 2.04 -1.53 -1.32 117.51 121.09 2h1i h ILE 73 Ca 0.17 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2h1i h ILE 73 Cb 0.22 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2h1i h ILE 73 CO -0.26 0.01 0.33 0.15 0.00 0.00 0.00 178.15 178.37 2h1i h PHE 74 N 0.03 0.85 0.00 1.37 3.57 -0.95 -1.62 116.94 120.18 2h1i h PHE 74 Ca 0.09 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 2h1i h PHE 74 Cb 0.13 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2h1i h PHE 74 CO -0.20 0.62 -0.55 0.00 -2.23 0.00 0.00 178.31 175.96 2h1i h ARG 75 N 0.83 0.00 -0.30 1.11 2.47 -0.48 -0.70 114.38 117.32 2h1i h ARG 75 Ca 0.21 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.80 2h1i h ARG 75 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2h1i h ARG 75 CO -0.03 0.55 -0.34 1.15 0.56 0.00 0.00 179.97 181.85 2h1i h THR 76 N 0.00 1.29 -0.77 2.04 2.02 -1.00 0.47 112.91 116.97 2h1i h THR 76 Ca -0.01 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.62 2h1i h THR 76 Cb 1.10 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 69.04 2h1i h THR 76 CO 0.07 0.49 0.36 0.50 0.37 0.00 0.00 175.52 177.31 2h1i h LYS 77 N 0.52 1.12 -0.41 6.66 3.64 -0.96 -1.05 116.57 126.10 2h1i h LYS 77 Ca 0.04 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 2h1i h LYS 77 Cb 0.93 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2h1i h LYS 77 CO 0.08 0.88 -0.22 1.49 -2.27 0.00 0.00 179.45 179.42 2h1i h GLU 78 N 1.09 0.87 -0.40 1.90 4.81 -1.02 -1.64 114.58 120.19 2h1i h GLU 78 Ca 0.26 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2h1i h GLU 78 Cb 0.14 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2h1i h GLU 78 CO -0.03 1.03 0.02 1.25 -0.73 0.00 0.00 179.01 180.55 2h1i h LEU 79 N 0.68 0.68 -0.33 1.64 5.85 -0.72 -1.18 115.31 121.92 2h1i h LEU 79 Ca 0.09 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2h1i h LEU 79 Cb 0.78 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2h1i h LEU 79 CO 0.06 0.81 0.11 -1.13 -0.34 0.00 0.00 178.44 177.95 2h1i h ASN 80 N 0.53 0.12 -0.54 1.25 -1.24 -1.12 -1.74 115.58 112.84 2h1i h ASN 80 Ca 0.12 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.10 2h1i h ASN 80 Cb 0.45 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.50 2h1i h ASN 80 CO 0.02 0.11 0.12 -0.08 -1.29 0.00 0.00 177.43 176.30 2h1i h GLU 81 N 0.26 0.92 -0.83 6.67 4.57 -1.20 -2.37 114.58 122.60 2h1i h GLU 81 Ca 0.15 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2h1i h GLU 81 Cb 0.12 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2h1i h GLU 81 CO -0.15 0.84 0.55 0.35 -1.18 0.00 0.00 179.01 179.41 2h1i h PHE 82 N 0.88 1.02 -0.68 0.92 3.57 -0.81 -1.14 116.94 120.69 2h1i h PHE 82 Ca 0.19 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 2h1i h PHE 82 Cb 0.35 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2h1i h PHE 82 CO 0.02 0.62 0.16 -0.07 -2.23 0.00 0.00 178.31 176.82 2h1i h LEU 83 N 1.08 1.03 -0.41 0.59 3.38 -0.82 0.53 115.31 120.69 2h1i h LEU 83 Ca 0.31 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2h1i h LEU 83 Cb -0.07 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.35 2h1i h LEU 83 CO -0.08 1.00 0.04 0.44 0.09 0.00 0.00 178.44 179.93 2h1i h ASP 84 N 1.01 -0.08 0.77 -0.43 5.19 -0.99 -1.07 116.42 120.82 2h1i h ASP 84 Ca 0.21 0.08 -0.17 0.00 -0.62 0.00 0.00 57.03 56.54 2h1i h ASP 84 Cb 0.37 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 2h1i h ASP 84 CO 0.00 -0.00 -0.79 -0.33 -3.12 0.00 0.00 179.24 175.00 2h1i h GLU 85 N 0.16 0.02 -0.09 3.56 4.39 -0.65 -3.05 114.58 118.91 2h1i h GLU 85 Ca 0.20 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.66 2h1i h GLU 85 Cb 0.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2h1i h GLU 85 CO -0.30 0.80 -0.83 0.00 -1.16 0.00 0.00 179.01 177.52 2h1i h ALA 86 N 1.20 0.22 -0.58 3.43 0.00 0.38 -2.19 119.26 121.72 2h1i h ALA 86 Ca -0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2h1i h ALA 86 Cb 1.40 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2h1i h ALA 86 CO 0.10 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.30 2h1i h ALA 87 N 0.48 1.46 -0.06 0.00 0.00 -1.24 0.10 119.26 120.00 2h1i h ALA 87 Ca -0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 2h1i h ALA 87 Cb 1.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2h1i h ALA 87 CO 0.17 0.45 -0.68 0.87 0.00 0.00 0.00 179.25 180.06 2h1i h LYS 88 N 0.81 0.28 0.09 0.00 1.57 -1.43 -1.20 116.57 116.69 2h1i h LYS 88 Ca 0.21 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2h1i h LYS 88 Cb 0.03 0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.40 2h1i h LYS 88 CO -0.03 0.86 -0.66 1.49 -0.57 0.00 0.00 179.45 180.54 2h1i h GLU 89 N 0.20 0.29 -0.02 3.15 4.57 -0.73 -3.36 114.58 118.69 2h1i h GLU 89 Ca -0.02 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2h1i h GLU 89 Cb 1.22 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 2h1i h GLU 89 CO 0.11 1.17 -0.41 0.66 -1.18 0.00 0.00 179.01 179.36 2h1i n TYR 90 N -4.21 0.00 -2.97 0.92 4.02 0.29 -4.98 117.16 110.23 2h1i n TYR 90 Ca -0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.65 2h1i n TYR 90 Cb 0.74 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 40.09 2h1i n TYR 90 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2h1i n LYS 91 N -0.02 -4.16 -4.04 -0.72 4.76 -0.48 -5.05 118.16 108.45 2h1i n LYS 91 Ca 0.10 0.48 -0.24 0.00 -2.87 0.00 0.00 58.31 55.78 2h1i n LYS 91 Cb 0.46 -4.42 -0.07 0.00 -1.84 0.00 0.00 35.03 29.16 2h1i n LYS 91 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2h1i s PHE 92 N -3.19 2.63 -0.83 2.13 -0.12 -1.06 -5.06 117.98 112.47 2h1i s PHE 92 Ca 0.17 -0.57 -0.23 0.00 -0.05 0.00 0.00 56.93 56.25 2h1i s PHE 92 Cb -0.08 -1.99 0.06 0.00 -0.63 0.00 0.00 43.02 40.39 2h1i s PHE 92 CO 0.41 0.14 1.22 0.34 -0.05 0.00 0.00 175.22 177.29 2h1i s ASP 93 N -3.94 6.34 0.56 1.98 -1.08 -1.26 -4.72 116.67 114.55 2h1i s ASP 93 Ca 0.42 -1.13 0.33 0.00 -0.52 0.00 0.00 52.55 51.65 2h1i s ASP 93 Cb 0.03 -2.50 1.47 0.00 -1.46 0.00 0.00 42.92 40.46 2h1i s ASP 93 CO 0.23 -1.52 1.80 -0.09 0.52 0.00 0.00 175.17 176.12 2h1i h ARG 94 N 9.65 0.00 -0.52 4.34 9.65 -1.93 0.48 114.38 136.05 2h1i h ARG 94 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2h1i h ARG 94 Cb 1.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2h1i h ARG 94 CO 1.27 0.00 0.00 0.09 2.80 0.00 0.00 179.97 184.13 2h1i n ASN 95 N -4.01 2.99 -2.54 -3.80 3.02 -1.26 -4.30 115.26 105.36 2h1i n ASN 95 Ca 0.20 -1.98 -0.16 0.00 -0.03 0.00 0.00 54.58 52.62 2h1i n ASN 95 Cb 1.08 -0.35 0.02 0.00 -0.61 0.00 0.00 39.78 39.93 2h1i n ASN 95 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2h1i n ASN 96 N 1.14 3.00 -4.69 6.41 5.15 0.16 -4.66 115.26 121.78 2h1i n ASN 96 Ca 0.19 -3.07 -0.35 0.00 -0.60 0.00 0.00 54.58 50.74 2h1i n ASN 96 Cb 0.48 -0.47 -0.09 0.00 -0.53 0.00 0.00 39.78 39.17 2h1i n ASN 96 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2h1i s ILE 97 N -4.22 5.21 -0.18 -1.44 1.01 -1.26 -0.59 121.20 119.73 2h1i s ILE 97 Ca 0.37 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 61.13 2h1i s ILE 97 Cb 0.41 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.50 2h1i s ILE 97 CO -0.05 0.43 -0.12 -0.69 0.00 0.00 0.00 174.94 174.51 2h1i s VAL 98 N 0.45 2.84 0.19 2.92 1.01 -0.74 0.57 120.40 127.64 2h1i s VAL 98 Ca 0.06 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2h1i s VAL 98 Cb -0.12 -2.23 -0.08 0.00 0.00 0.00 0.00 36.38 33.96 2h1i s VAL 98 CO -0.01 0.49 0.70 0.00 0.00 0.00 0.00 175.10 176.29 2h1i s ALA 99 N 1.02 3.45 -0.27 5.51 0.00 -0.55 -1.43 121.76 129.51 2h1i s ALA 99 Ca -0.01 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.13 2h1i s ALA 99 Cb -0.15 -2.80 0.07 0.00 0.00 0.00 0.00 23.12 20.24 2h1i s ALA 99 CO -0.02 0.34 -0.04 0.42 0.00 0.00 0.00 175.76 176.46 2h1i s ILE 100 N -1.40 1.80 0.09 0.00 1.01 -0.02 0.13 121.20 122.81 2h1i s ILE 100 Ca 0.40 -1.58 0.09 0.00 0.00 0.00 0.00 60.65 59.55 2h1i s ILE 100 Cb -0.18 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2h1i s ILE 100 CO 0.22 -0.23 -0.22 -0.83 0.00 0.00 0.00 174.94 173.87 2h1i s GLY 101 N 1.23 1.29 -0.08 6.18 0.00 -0.57 -2.14 107.32 113.23 2h1i s GLY 101 Ca -0.02 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.49 2h1i s GLY 101 CO -0.08 -1.22 -0.21 -0.47 0.00 0.00 0.00 173.10 171.13 2h1i s TYR 102 N -1.02 2.23 0.00 1.90 5.04 -0.74 -0.97 117.35 123.79 2h1i s TYR 102 Ca 0.09 -0.86 0.00 0.00 -2.44 0.00 0.00 57.07 53.86 2h1i s TYR 102 Cb -0.10 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.70 2h1i s TYR 102 CO 0.04 -0.35 0.00 0.45 -1.34 0.00 0.00 175.55 174.35 2h1i n SER 103 N 3.50 0.00 -0.29 4.32 2.88 -0.08 -1.02 113.62 122.94 2h1i n SER 103 Ca -0.20 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2h1i n SER 103 Cb 0.53 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.23 2h1i n SER 103 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2h1i h ASN 104 N 0.00 0.33 -0.52 -3.46 -0.00 -1.87 0.15 115.58 110.21 2h1i h ASN 104 Ca 0.00 0.13 -0.09 0.00 -0.00 0.00 0.00 56.30 56.34 2h1i h ASN 104 Cb 0.00 0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.40 2h1i h ASN 104 CO 0.00 0.07 -0.02 1.23 -0.00 0.00 0.00 177.43 178.71 2h1i h GLY 105 N 0.45 1.05 0.96 1.57 0.00 -0.54 -2.22 103.07 104.34 2h1i h GLY 105 Ca 0.49 -0.76 0.06 0.00 0.00 0.00 0.00 47.33 47.12 2h1i h GLY 105 CO -0.46 0.70 0.52 0.00 0.00 0.00 0.00 176.54 177.30 2h1i h ALA 106 N 1.08 1.62 -0.33 3.60 0.00 -0.70 -2.56 119.26 121.97 2h1i h ALA 106 Ca 0.16 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2h1i h ALA 106 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2h1i h ALA 106 CO 0.03 0.25 -0.21 -0.91 0.00 0.00 0.00 179.25 178.41 2h1i h ASN 107 N 0.87 0.63 1.38 0.00 2.35 -0.25 -0.59 115.58 119.97 2h1i h ASN 107 Ca 0.35 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2h1i h ASN 107 Cb 0.23 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2h1i h ASN 107 CO -0.12 0.84 -0.64 -0.29 -1.65 0.00 0.00 177.43 175.57 2h1i h ILE 108 N 0.55 0.36 -0.09 2.81 2.10 -1.31 -1.27 117.51 120.66 2h1i h ILE 108 Ca 0.08 -1.57 -0.02 0.00 1.08 0.00 0.00 64.86 64.44 2h1i h ILE 108 Cb 0.67 2.03 -0.00 0.00 -1.09 0.00 0.00 36.82 38.43 2h1i h ILE 108 CO 0.05 0.21 -0.01 0.00 -1.08 0.00 0.00 178.15 177.32 2h1i h ALA 109 N 1.73 0.13 -0.20 0.18 0.00 -1.32 0.13 119.26 119.92 2h1i h ALA 109 Ca -0.03 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2h1i h ALA 109 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2h1i h ALA 109 CO 0.03 -0.16 0.14 0.00 0.00 0.00 0.00 179.25 179.26 2h1i h ALA 110 N 0.71 2.11 -0.08 0.00 0.00 -0.99 -1.38 119.26 119.62 2h1i h ALA 110 Ca 0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2h1i h ALA 110 Cb 0.39 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2h1i h ALA 110 CO 0.01 -0.16 -0.70 1.03 0.00 0.00 0.00 179.25 179.43 2h1i h SER 111 N 0.06 0.75 -0.16 0.00 0.87 -0.74 -1.81 113.55 112.52 2h1i h SER 111 Ca 0.09 -0.68 0.05 0.00 -1.23 0.00 0.00 61.79 60.02 2h1i h SER 111 Cb 0.29 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 61.97 2h1i h SER 111 CO -0.01 1.32 -0.22 -0.07 -0.53 0.00 0.00 176.83 177.32 2h1i h LEU 112 N 0.25 -0.69 -0.56 2.23 3.38 0.24 -0.99 115.31 119.16 2h1i h LEU 112 Ca -0.06 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2h1i h LEU 112 Cb 1.35 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 42.34 2h1i h LEU 112 CO 0.14 -0.27 0.12 -0.07 0.09 0.00 0.00 178.44 178.45 2h1i h LEU 113 N -0.27 0.00 -1.36 1.67 3.38 -1.24 -0.14 115.31 117.35 2h1i h LEU 113 Ca 0.11 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 2h1i h LEU 113 Cb 0.43 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2h1i h LEU 113 CO -0.31 0.02 -0.11 -0.26 0.09 0.00 0.00 178.44 177.87 2h1i h PHE 114 N 0.25 0.30 0.00 1.13 -1.00 -0.41 -3.27 116.94 113.95 2h1i h PHE 114 Ca 0.29 -0.03 -0.30 0.00 2.81 0.00 0.00 57.97 60.74 2h1i h PHE 114 Cb 0.41 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.83 2h1i h PHE 114 CO -0.24 0.40 -1.97 0.72 -1.61 0.00 0.00 178.31 175.61 2h1i n HIS 115 N -4.27 0.54 -3.70 -0.55 8.25 -0.47 -1.79 115.22 113.23 2h1i n HIS 115 Ca -0.00 0.19 -0.26 0.00 -0.26 0.00 0.00 57.72 57.39 2h1i n HIS 115 Cb 0.26 -1.07 -0.17 0.00 1.12 0.00 0.00 29.99 30.14 2h1i n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2h1i s TYR 116 N -2.63 0.65 0.22 4.41 1.51 -0.15 -4.70 117.35 116.65 2h1i s TYR 116 Ca -0.07 -0.51 0.35 0.00 -1.01 0.00 0.00 57.07 55.83 2h1i s TYR 116 Cb 0.07 -0.86 1.73 0.00 -0.11 0.00 0.00 41.96 42.80 2h1i s TYR 116 CO 0.83 -0.51 2.06 1.05 -1.11 0.00 0.00 175.55 177.87 2h1i h GLU 117 N 8.32 0.00 -0.01 -0.62 4.11 -1.85 -2.79 114.58 121.74 2h1i h GLU 117 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2h1i h GLU 117 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2h1i h GLU 117 CO 0.30 0.00 -0.29 0.09 0.07 0.00 0.00 179.01 179.18 2h1i n ASN 118 N -2.87 1.89 0.19 3.06 3.02 -1.26 -4.57 115.26 114.72 2h1i n ASN 118 Ca -0.01 -1.44 -0.15 0.00 -0.03 0.00 0.00 54.58 52.95 2h1i n ASN 118 Cb 0.16 0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 2h1i n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h1i h ALA 119 N 3.16 -0.44 -2.72 5.41 0.00 -1.81 -3.46 119.26 119.40 2h1i h ALA 119 Ca 0.00 -0.09 -0.51 0.00 0.00 0.00 0.00 54.91 54.31 2h1i h ALA 119 Cb 0.63 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 18.45 2h1i h ALA 119 CO 0.00 -0.75 -0.77 -0.51 0.00 0.00 0.00 179.25 177.22 2h1i s LEU 120 N -10.15 2.47 0.00 0.00 1.43 -1.26 -4.78 118.68 106.40 2h1i s LEU 120 Ca -0.15 -0.91 0.10 0.00 -1.03 0.00 0.00 54.13 52.14 2h1i s LEU 120 Cb 0.05 -0.81 -0.23 0.00 0.03 0.00 0.00 46.19 45.23 2h1i s LEU 120 CO 0.64 -0.06 0.84 0.50 0.23 0.00 0.00 176.35 178.51 2h1i h LYS 121 N 3.03 0.02 -2.57 1.70 1.63 -0.14 -3.48 116.57 116.76 2h1i h LYS 121 Ca -0.41 -0.03 0.15 0.00 -0.85 0.00 0.00 60.65 59.51 2h1i h LYS 121 Cb 1.21 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 2h1i h LYS 121 CO 0.54 0.68 0.55 0.20 -3.45 0.00 0.00 179.45 177.97 2h1i s GLY 122 N -5.00 0.11 -0.04 5.01 0.00 -1.19 -3.21 107.32 103.01 2h1i s GLY 122 Ca -0.04 -0.34 -0.13 0.00 0.00 0.00 0.00 44.72 44.21 2h1i s GLY 122 CO 0.82 1.98 0.30 0.00 0.00 0.00 0.00 173.10 176.20 2h1i s ALA 123 N -2.27 -0.74 -0.23 3.20 0.00 -0.21 -1.47 121.76 120.03 2h1i s ALA 123 Ca 0.20 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 2h1i s ALA 123 Cb -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2h1i s ALA 123 CO 0.06 -0.22 0.10 0.08 0.00 0.00 0.00 175.76 175.77 2h1i s VAL 124 N -0.89 4.78 -0.30 0.00 1.01 0.36 -1.05 120.40 124.30 2h1i s VAL 124 Ca -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2h1i s VAL 124 Cb -0.05 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.20 2h1i s VAL 124 CO 0.03 0.36 -0.02 -0.76 0.00 0.00 0.00 175.10 174.71 2h1i s LEU 125 N 1.17 4.09 -0.58 3.92 1.43 0.18 -1.51 118.68 127.38 2h1i s LEU 125 Ca 0.05 -1.70 -0.23 0.00 -1.03 0.00 0.00 54.13 51.23 2h1i s LEU 125 Cb -0.14 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.52 2h1i s LEU 125 CO 0.04 -0.29 0.90 -1.00 0.23 0.00 0.00 176.35 176.23 2h1i s HIS 126 N 1.05 2.80 -0.91 0.29 3.76 -0.15 -0.88 115.29 121.25 2h1i s HIS 126 Ca -0.00 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.59 2h1i s HIS 126 Cb -0.20 -4.06 -0.05 0.00 1.11 0.00 0.00 32.58 29.38 2h1i s HIS 126 CO -0.06 -1.40 0.79 0.72 -0.85 0.00 0.00 174.74 173.95 2h1i n HIS 127 N 7.33 -2.08 -0.59 1.40 8.25 0.95 -0.90 115.22 129.58 2h1i n HIS 127 Ca -0.01 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 2h1i n HIS 127 Cb 0.46 -3.96 0.00 0.00 1.12 0.00 0.00 29.99 27.61 2h1i n HIS 127 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2h1i n PRO 128 N -3.04 2.10 -2.82 -0.41 -0.04 -1.26 -3.73 135.00 125.80 2h1i n PRO 128 Ca -0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 2h1i n PRO 128 Cb 0.61 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.03 2h1i n PRO 128 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2h1i s VAL 130 N 0.76 4.62 0.27 0.52 1.01 -1.26 -4.76 120.40 121.56 2h1i s VAL 130 Ca 0.00 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 2h1i s VAL 130 Cb 0.00 -4.30 0.16 0.00 0.00 0.00 0.00 36.38 32.24 2h1i s VAL 130 CO 0.00 -0.47 1.82 1.55 0.00 0.00 0.00 175.10 178.00 2h1i h PRO 131 N 8.36 0.88 -2.00 2.72 0.13 -1.90 -3.46 132.00 136.73 2h1i h PRO 131 Ca -0.23 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 2h1i h PRO 131 Cb 1.08 -0.14 -0.19 0.00 0.13 0.00 0.00 31.00 31.88 2h1i h PRO 131 CO 0.97 0.77 0.18 0.50 -0.23 0.00 0.00 178.00 180.19 2h1i s ARG 132 N -5.27 1.01 0.21 0.86 3.52 -1.26 -4.98 118.95 113.04 2h1i s ARG 132 Ca -0.10 0.42 0.06 0.00 -0.13 0.00 0.00 55.73 55.98 2h1i s ARG 132 Cb 0.16 0.48 -0.05 0.00 -1.56 0.00 0.00 34.95 33.98 2h1i s ARG 132 CO 0.81 -0.28 -0.09 1.03 -0.81 0.00 0.00 175.30 175.96 2h1i s ARG 133 N -0.85 1.32 -0.24 5.12 0.52 -1.26 -5.13 118.95 118.43 2h1i s ARG 133 Ca -0.09 -1.62 -0.01 0.00 -0.52 0.00 0.00 55.73 53.50 2h1i s ARG 133 Cb -0.01 -0.92 -0.01 0.00 0.52 0.00 0.00 34.95 34.53 2h1i s ARG 133 CO 0.08 0.08 0.21 0.41 0.02 0.00 0.00 175.30 176.10 2h1i n GLY 134 N -0.39 0.15 3.29 -3.53 0.00 -1.26 -5.22 105.19 98.23 2h1i n GLY 134 Ca -0.07 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2h1i n GLY 134 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2h1i s GLN 136 N -3.25 3.28 0.68 1.61 2.00 -1.26 -5.32 119.66 117.41 2h1i s GLN 136 Ca 0.08 -0.69 -0.15 0.00 -2.00 0.00 0.00 55.36 52.61 2h1i s GLN 136 Cb -0.01 -3.00 0.01 0.00 0.80 0.00 0.00 33.01 30.80 2h1i s GLN 136 CO 0.18 -0.23 1.12 -0.51 -0.50 0.00 0.00 175.29 175.35 2h1i s LEU 137 N 1.45 3.35 0.77 3.68 1.43 -1.26 -4.93 118.68 123.17 2h1i s LEU 137 Ca 0.05 2.02 -0.14 0.00 -1.03 0.00 0.00 54.13 55.03 2h1i s LEU 137 Cb -0.15 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.58 2h1i s LEU 137 CO -0.04 -1.73 1.19 0.00 0.23 0.00 0.00 176.35 176.00 2h1i s ALA 138 N -2.35 2.01 -0.30 4.21 0.00 -0.74 -4.96 121.76 119.63 2h1i s ALA 138 Ca 0.67 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 2h1i s ALA 138 Cb -0.21 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 2h1i s ALA 138 CO 0.43 -2.03 1.37 1.21 0.00 0.00 0.00 175.76 176.74 2h1i s ASN 139 N -2.24 6.57 -0.37 0.00 3.84 -1.26 -4.87 114.94 116.62 2h1i s ASN 139 Ca 0.72 1.22 0.06 0.00 0.21 0.00 0.00 52.86 55.08 2h1i s ASN 139 Cb -0.27 -2.54 0.55 0.00 -0.55 0.00 0.00 41.25 38.44 2h1i s ASN 139 CO 0.48 -1.16 1.63 0.18 -2.79 0.00 0.00 177.10 175.44 2h1i n LEU 140 N 7.93 5.23 -4.71 3.21 4.77 0.40 -4.73 117.00 129.10 2h1i n LEU 140 Ca 0.16 -3.84 -0.43 0.00 -0.03 0.00 0.00 56.01 51.87 2h1i n LEU 140 Cb 0.47 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2h1i n LEU 140 CO 0.64 1.27 1.25 0.00 -1.33 0.00 0.00 177.39 179.23 2h1i n ALA 141 N -1.10 2.19 -0.59 -1.18 0.00 -1.24 -1.97 120.51 116.62 2h1i n ALA 141 Ca 0.44 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.29 2h1i n ALA 141 Cb 1.20 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2h1i n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1i n GLY 142 N 3.20 0.77 3.73 0.00 0.00 -1.26 -4.99 105.19 106.64 2h1i n GLY 142 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2h1i n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1i s LYS 143 N -0.41 2.89 -0.08 1.61 1.02 -0.83 -5.01 119.74 118.93 2h1i s LYS 143 Ca 0.00 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.46 2h1i s LYS 143 Cb 0.00 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 2h1i s LYS 143 CO 0.00 0.63 -0.22 -1.12 -0.92 0.00 0.00 175.35 173.72 2h1i s SER 144 N -1.70 3.32 -0.04 2.83 0.01 -1.20 -1.44 113.70 115.48 2h1i s SER 144 Ca 0.22 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.04 2h1i s SER 144 Cb -0.12 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.02 2h1i s SER 144 CO 0.13 0.22 -0.12 -0.69 0.41 0.00 0.00 173.24 173.19 2h1i s VAL 145 N -0.02 1.07 -0.20 3.43 1.01 0.51 -1.04 120.40 125.15 2h1i s VAL 145 Ca -0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2h1i s VAL 145 Cb -0.15 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 2h1i s VAL 145 CO 0.05 0.32 -0.09 0.12 0.00 0.00 0.00 175.10 175.50 2h1i s PHE 146 N 0.24 2.90 -0.15 5.22 5.36 -0.22 -0.89 117.98 130.44 2h1i s PHE 146 Ca -0.06 -1.07 -0.03 0.00 -0.96 0.00 0.00 56.93 54.82 2h1i s PHE 146 Cb -0.11 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.51 2h1i s PHE 146 CO 0.02 -0.57 -0.06 0.42 -1.46 0.00 0.00 175.22 173.56 2h1i s ILE 147 N 1.32 3.62 -0.24 3.12 1.01 -0.14 0.52 121.20 130.40 2h1i s ILE 147 Ca 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2h1i s ILE 147 Cb -0.14 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.76 2h1i s ILE 147 CO -0.05 0.50 -0.04 0.00 0.00 0.00 0.00 174.94 175.35 2h1i s ALA 148 N 0.44 2.79 0.25 9.38 0.00 -0.06 -0.71 121.76 133.86 2h1i s ALA 148 Ca -0.05 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.63 2h1i s ALA 148 Cb -0.15 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 2h1i s ALA 148 CO 0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 175.76 175.10 2h1i s ALA 149 N 1.41 2.09 -0.14 0.00 0.00 -0.51 -0.04 121.76 124.57 2h1i s ALA 149 Ca 0.03 -1.83 -0.04 0.00 0.00 0.00 0.00 51.96 50.12 2h1i s ALA 149 Cb -0.16 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2h1i s ALA 149 CO -0.03 -0.14 -0.00 0.20 0.00 0.00 0.00 175.76 175.78 2h1i s GLY 150 N -3.37 1.80 0.30 0.00 0.00 -1.26 -0.47 107.32 104.32 2h1i s GLY 150 Ca 0.28 -0.80 0.10 0.00 0.00 0.00 0.00 44.72 44.31 2h1i s GLY 150 CO 0.10 -0.17 1.68 -0.91 0.00 0.00 0.00 173.10 173.80 2h1i h THR 151 N 4.83 1.37 -2.19 0.90 1.35 -1.53 -3.30 112.91 114.33 2h1i h THR 151 Ca -0.37 -1.80 -0.67 0.00 -0.55 0.00 0.00 66.41 63.02 2h1i h THR 151 Cb 1.18 1.95 -0.37 0.00 -1.73 0.00 0.00 68.15 69.19 2h1i h THR 151 CO 0.63 0.52 -0.04 -0.46 -0.25 0.00 0.00 175.52 175.92 2h1i n ASN 152 N -3.92 5.57 -4.42 5.36 6.94 -1.26 -4.80 115.26 118.72 2h1i n ASN 152 Ca -0.02 -3.70 -0.36 0.00 -0.02 0.00 0.00 54.58 50.48 2h1i n ASN 152 Cb 0.54 -0.77 -0.13 0.00 -2.36 0.00 0.00 39.78 37.07 2h1i n ASN 152 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2h1i s ASP 153 N -2.70 5.06 0.48 0.53 -1.08 -1.24 -4.47 116.67 113.24 2h1i s ASP 153 Ca 0.46 -0.28 0.28 0.00 -0.52 0.00 0.00 52.55 52.49 2h1i s ASP 153 Cb 0.27 -1.90 0.87 0.00 -1.46 0.00 0.00 42.92 40.70 2h1i s ASP 153 CO -0.16 -0.05 1.80 1.55 0.52 0.00 0.00 175.17 178.83 2h1i h PRO 154 N 8.23 0.00 0.04 4.34 0.13 -1.96 -3.32 132.00 139.46 2h1i h PRO 154 Ca -0.38 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.43 2h1i h PRO 154 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2h1i h PRO 154 CO 0.58 0.00 -1.79 -0.89 -0.23 0.00 0.00 178.00 175.67 2h1i n ILE 155 N -3.03 1.61 -3.81 -3.56 5.41 -1.26 -4.89 119.36 109.84 2h1i n ILE 155 Ca 0.02 -0.33 -0.27 0.00 1.00 0.00 0.00 62.75 63.17 2h1i n ILE 155 Cb 0.41 -1.87 -0.17 0.00 -0.71 0.00 0.00 39.64 37.31 2h1i n ILE 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2h1i s SER 157 N 1.78 3.22 0.27 0.00 1.04 -1.26 -4.48 113.70 114.27 2h1i s SER 157 Ca 0.01 1.80 0.24 0.00 0.48 0.00 0.00 55.95 58.48 2h1i s SER 157 Cb -0.16 -2.41 0.43 0.00 0.10 0.00 0.00 66.02 63.99 2h1i s SER 157 CO -0.07 -2.85 1.52 0.77 0.98 0.00 0.00 173.24 173.59 2h1i h SER 158 N -1.69 0.00 -0.58 7.02 4.64 -1.87 -2.38 113.55 118.68 2h1i h SER 158 Ca -0.47 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 60.73 2h1i h SER 158 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 2h1i h SER 158 CO 0.49 0.02 0.08 0.00 -0.87 0.00 0.00 176.83 176.55 2h1i h ALA 159 N 2.26 0.78 0.36 5.18 0.00 -1.98 -1.01 119.26 124.85 2h1i h ALA 159 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2h1i h ALA 159 Cb 0.87 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2h1i h ALA 159 CO 0.00 0.54 -0.35 1.49 0.00 0.00 0.00 179.25 180.93 2h1i h GLU 160 N 0.87 -0.71 -0.75 0.00 4.57 -1.85 -0.13 114.58 116.58 2h1i h GLU 160 Ca 0.17 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.49 2h1i h GLU 160 Cb 0.44 0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 29.12 2h1i h GLU 160 CO 0.01 -0.47 0.40 0.77 -1.18 0.00 0.00 179.01 178.55 2h1i h SER 161 N -0.74 0.56 -0.25 1.04 0.02 -1.35 -1.81 113.55 111.02 2h1i h SER 161 Ca -0.03 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2h1i h SER 161 Cb 0.66 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2h1i h SER 161 CO -0.05 0.32 0.12 -0.08 -1.14 0.00 0.00 176.83 176.00 2h1i h GLU 162 N 0.69 0.37 -0.93 3.45 4.57 -1.00 -2.21 114.58 119.52 2h1i h GLU 162 Ca 0.36 -0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.60 2h1i h GLU 162 Cb 0.35 -0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.79 2h1i h GLU 162 CO -0.25 0.37 0.56 1.49 -1.18 0.00 0.00 179.01 180.00 2h1i h GLU 163 N 0.28 0.88 0.02 1.92 4.81 -0.35 -0.70 114.58 121.43 2h1i h GLU 163 Ca 0.09 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2h1i h GLU 163 Cb 0.12 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2h1i h GLU 163 CO -0.01 0.58 -0.01 1.25 -0.73 0.00 0.00 179.01 180.09 2h1i h LEU 164 N 0.91 -0.02 -0.34 1.64 5.85 -0.99 -0.49 115.31 121.86 2h1i h LEU 164 Ca 0.46 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.21 2h1i h LEU 164 Cb 0.45 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2h1i h LEU 164 CO -0.26 0.01 0.03 0.50 -0.34 0.00 0.00 178.44 178.37 2h1i h LYS 165 N -0.05 0.13 -0.40 1.25 3.64 -0.75 -0.34 116.57 120.05 2h1i h LYS 165 Ca -0.00 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 2h1i h LYS 165 Cb 0.04 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 2h1i h LYS 165 CO 0.00 0.08 -0.13 0.28 -2.27 0.00 0.00 179.45 177.42 2h1i h VAL 166 N 0.13 0.55 0.03 2.00 2.07 -0.89 0.24 116.25 120.37 2h1i h VAL 166 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.71 2h1i h VAL 166 Cb 0.21 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2h1i h VAL 166 CO -0.25 0.00 -0.18 -0.07 0.02 0.00 0.00 177.57 177.09 2h1i h LEU 167 N -0.04 -0.51 -1.01 2.57 3.38 -0.34 0.73 115.31 120.09 2h1i h LEU 167 Ca 0.19 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2h1i h LEU 167 Cb 0.33 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2h1i h LEU 167 CO -0.43 -0.24 0.53 -0.07 0.09 0.00 0.00 178.44 178.32 2h1i h LEU 168 N -0.30 1.07 -0.58 1.67 3.38 -0.56 -1.89 115.31 118.10 2h1i h LEU 168 Ca 0.05 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2h1i h LEU 168 Cb 0.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2h1i h LEU 168 CO -0.15 0.83 -0.66 -0.33 0.09 0.00 0.00 178.44 178.21 2h1i h GLU 169 N 1.23 0.21 0.00 1.13 5.08 -0.02 -1.95 114.58 120.27 2h1i h GLU 169 Ca 0.32 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2h1i h GLU 169 Cb -0.05 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2h1i h GLU 169 CO -0.06 0.80 0.00 0.09 -1.00 0.00 0.00 179.01 178.84 2h1i n ASN 170 N -3.82 0.22 -1.32 1.42 3.02 0.20 -1.35 115.26 113.64 2h1i n ASN 170 Ca -0.03 0.55 0.10 0.00 -0.03 0.00 0.00 54.58 55.17 2h1i n ASN 170 Cb 0.66 -0.60 0.31 0.00 -0.61 0.00 0.00 39.78 39.54 2h1i n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h1i n ALA 171 N -1.59 2.63 -0.76 5.41 0.00 -0.74 -4.96 120.51 120.50 2h1i n ALA 171 Ca 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.04 2h1i n ALA 171 Cb 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2h1i n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2h1i n ASN 172 N 1.20 -1.47 -4.83 0.00 3.02 -0.46 -0.46 115.26 112.26 2h1i n ASN 172 Ca 0.23 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.46 2h1i n ASN 172 Cb 0.71 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 2h1i n ASN 172 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h1i s ALA 173 N -2.54 2.99 -0.27 5.41 0.00 -0.81 -3.81 121.76 122.73 2h1i s ALA 173 Ca 0.00 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 2h1i s ALA 173 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2h1i s ALA 173 CO 0.00 -0.33 0.90 -0.80 0.00 0.00 0.00 175.76 175.52 2h1i s ASN 174 N -2.90 6.86 -0.19 0.00 -0.87 -0.52 -4.39 114.94 112.94 2h1i s ASN 174 Ca 0.60 1.02 -0.00 0.00 -1.57 0.00 0.00 52.86 52.91 2h1i s ASN 174 Cb -0.11 -2.46 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 2h1i s ASN 174 CO 0.31 -0.62 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.38 2h1i s VAL 175 N 3.05 2.49 0.02 1.60 1.01 -1.26 -0.36 120.40 126.95 2h1i s VAL 175 Ca 0.38 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2h1i s VAL 175 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.16 2h1i s VAL 175 CO 0.09 0.50 0.03 0.41 0.00 0.00 0.00 175.10 176.14 2h1i n THR 176 N 4.58 0.00 0.00 3.92 -1.04 -0.07 -5.00 114.28 116.68 2h1i n THR 176 Ca -0.20 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 2h1i n THR 176 Cb 0.50 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 2h1i n THR 176 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2h1i n HIS 178 N -1.27 0.00 -4.51 -1.42 -0.00 0.11 -0.97 115.22 107.17 2h1i n HIS 178 Ca 0.01 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.85 2h1i n HIS 178 Cb 0.02 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.77 2h1i n HIS 178 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2h1i s TRP 179 N -0.21 2.99 0.35 1.57 0.52 -1.26 -1.42 118.94 121.48 2h1i s TRP 179 Ca 0.00 -0.16 0.09 0.00 0.02 0.00 0.00 56.10 56.05 2h1i s TRP 179 Cb 0.00 -1.85 -0.06 0.00 -1.15 0.00 0.00 33.47 30.42 2h1i s TRP 179 CO 0.00 0.13 0.01 -1.21 0.02 0.00 0.00 176.95 175.90 2h1i s GLU 180 N -0.18 2.04 -0.15 4.98 0.41 0.39 -4.97 118.70 121.22 2h1i s GLU 180 Ca 0.03 -1.80 0.13 0.00 -0.41 0.00 0.00 54.97 52.92 2h1i s GLU 180 Cb -0.13 -1.88 -0.19 0.00 -1.78 0.00 0.00 34.13 30.15 2h1i s GLU 180 CO 0.03 0.11 0.04 -1.71 -0.49 0.00 0.00 175.26 173.24 2h1i n ASN 181 N -0.95 1.28 -2.21 -0.19 2.85 -1.26 -1.38 115.26 113.41 2h1i n ASN 181 Ca -0.04 -0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.23 2h1i n ASN 181 Cb 0.63 0.83 -0.07 0.00 1.24 0.00 0.00 39.78 42.41 2h1i n ASN 181 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2h1i n ARG 182 N -2.58 2.12 0.00 1.20 3.00 -1.26 -4.64 116.66 114.49 2h1i n ARG 182 Ca -0.25 -1.72 0.00 0.00 -0.01 0.00 0.00 57.85 55.87 2h1i n ARG 182 Cb 0.99 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 31.50 2h1i n ARG 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2h1i n GLY 183 N 1.28 2.33 0.30 -0.13 0.00 -1.26 -3.26 105.19 104.45 2h1i n GLY 183 Ca 0.41 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2h1i n GLY 183 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2h1i n HIS 184 N 13.29 0.00 -2.79 1.61 -0.00 -1.26 -4.32 115.22 121.75 2h1i n HIS 184 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 2h1i n HIS 184 Cb 0.00 -0.08 -0.07 0.00 -0.00 0.00 0.00 29.99 29.84 2h1i n HIS 184 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2h1i s GLN 185 N -2.56 4.37 -0.19 1.57 -2.07 -1.20 -5.00 119.66 114.57 2h1i s GLN 185 Ca 0.20 1.23 -0.29 0.00 -1.82 0.00 0.00 55.36 54.68 2h1i s GLN 185 Cb 0.18 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.65 2h1i s GLN 185 CO 0.58 0.09 1.05 -1.17 -1.32 0.00 0.00 175.29 174.52 2h1i s LEU 186 N -2.68 4.14 0.00 2.60 2.96 -1.26 -4.91 118.68 119.53 2h1i s LEU 186 Ca 0.57 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 2h1i s LEU 186 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2h1i s LEU 186 CO 0.18 -0.63 0.00 0.35 -1.32 0.00 0.00 176.35 174.94 2h1i n THR 187 N 5.14 0.00 0.00 3.68 -2.24 -1.26 -5.06 114.28 114.54 2h1i n THR 187 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2h1i n THR 187 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2h1i n THR 187 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h1i n GLY 189 N 5.00 0.00 0.26 3.38 0.00 -1.26 -2.43 105.19 110.14 2h1i n GLY 189 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2h1i n GLY 189 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2h1i h GLU 190 N 0.00 0.49 -0.16 1.61 4.81 -1.98 -2.65 114.58 116.70 2h1i h GLU 190 Ca 0.00 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 58.95 2h1i h GLU 190 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2h1i h GLU 190 CO 0.00 0.59 -0.55 0.28 -0.73 0.00 0.00 179.01 178.60 2h1i h VAL 191 N 0.45 1.33 0.40 0.32 2.07 -1.90 -2.63 116.25 116.31 2h1i h VAL 191 Ca 0.09 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 2h1i h VAL 191 Cb 0.45 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2h1i h VAL 191 CO 0.02 0.56 -0.19 -0.33 0.02 0.00 0.00 177.57 177.65 2h1i h GLU 192 N 0.36 -0.52 -0.98 1.57 5.08 -1.79 -1.16 114.58 117.14 2h1i h GLU 192 Ca 0.01 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.58 2h1i h GLU 192 Cb 1.07 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 2h1i h GLU 192 CO 0.10 -0.27 0.58 0.87 -1.00 0.00 0.00 179.01 179.29 2h1i h LYS 193 N -0.70 0.75 -0.28 2.33 1.79 -1.56 0.35 116.57 119.25 2h1i h LYS 193 Ca -0.06 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 2h1i h LYS 193 Cb 0.50 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2h1i h LYS 193 CO 0.09 0.50 0.09 0.00 -1.08 0.00 0.00 179.45 179.04 2h1i h ALA 194 N 1.62 0.31 -0.47 3.86 0.00 -1.21 -0.49 119.26 122.87 2h1i h ALA 194 Ca 0.55 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.44 2h1i h ALA 194 Cb 0.80 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2h1i h ALA 194 CO -0.36 -0.32 0.09 -0.22 0.00 0.00 0.00 179.25 178.43 2h1i h LYS 195 N 0.21 0.78 0.30 0.00 3.64 0.42 0.37 116.57 122.28 2h1i h LYS 195 Ca 0.13 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2h1i h LYS 195 Cb 0.11 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2h1i h LYS 195 CO -0.14 0.78 -0.35 0.93 -2.27 0.00 0.00 179.45 178.40 2h1i h GLU 196 N 0.65 -0.67 0.03 1.90 5.08 -0.31 0.30 114.58 121.56 2h1i h GLU 196 Ca 0.14 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2h1i h GLU 196 Cb 0.37 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2h1i h GLU 196 CO 0.01 -0.45 -0.54 2.35 -1.00 0.00 0.00 179.01 179.38 2h1i h TRP 197 N -0.70 -1.57 -0.59 4.33 7.01 -0.89 -1.55 115.95 121.99 2h1i h TRP 197 Ca -0.01 0.05 0.11 0.00 2.11 0.00 0.00 58.89 61.15 2h1i h TRP 197 Cb 0.65 0.68 -0.12 0.00 -2.10 0.00 0.00 29.16 28.27 2h1i h TRP 197 CO -0.23 -0.58 -0.28 -0.92 -2.79 0.00 0.00 178.44 173.64 2h1i h TYR 198 N -0.70 -0.73 -0.89 2.65 3.20 -0.07 0.26 116.97 120.70 2h1i h TYR 198 Ca 0.01 0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.04 2h1i h TYR 198 Cb 0.74 0.41 -0.08 0.00 1.54 0.00 0.00 36.73 39.34 2h1i h TYR 198 CO -0.50 -0.35 0.53 -0.44 -1.64 0.00 0.00 178.16 175.76 2h1i h ASP 199 N -0.12 0.78 -0.28 -2.11 3.32 -0.02 -2.15 116.42 115.84 2h1i h ASP 199 Ca 0.26 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 2h1i h ASP 199 Cb 0.53 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2h1i h ASP 199 CO -0.67 0.44 -0.01 0.11 -1.72 0.00 0.00 179.24 177.39 2h1i h LYS 200 N 0.88 0.50 0.00 3.56 1.57 -0.02 -3.31 116.57 119.76 2h1i h LYS 200 Ca 0.43 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2h1i h LYS 200 Cb 0.38 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2h1i h LYS 200 CO -0.25 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 2h1i n ALA 201 N -2.37 2.15 -1.20 3.86 0.00 0.75 -5.11 120.51 118.59 2h1i n ALA 201 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2h1i n ALA 201 Cb 0.27 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2h1i n ALA 201 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69