#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1i s LYS 3 N 0.00 2.87 0.28 0.00 2.20 -1.26 -5.24 119.74 118.59 2h1i s LYS 3 Ca 0.00 -0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 54.57 2h1i s LYS 3 Cb 0.00 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 34.02 2h1i s LYS 3 CO 0.00 0.31 0.70 -3.38 -0.36 0.00 0.00 175.35 172.62 2h1i s HIS 4 N 0.05 -0.13 0.04 4.03 -3.43 -1.26 -0.88 115.29 113.71 2h1i s HIS 4 Ca -0.09 -0.33 0.04 0.00 -0.80 0.00 0.00 55.06 53.89 2h1i s HIS 4 Cb -0.15 0.67 -0.02 0.00 -1.43 0.00 0.00 32.58 31.64 2h1i s HIS 4 CO 0.05 -1.23 -0.13 0.14 -2.00 0.00 0.00 174.74 171.58 2h1i s VAL 5 N -3.88 1.00 -0.01 -5.38 -7.23 -0.30 -5.01 120.40 99.58 2h1i s VAL 5 Ca 0.12 -1.01 0.07 0.00 -1.81 0.00 0.00 61.98 59.35 2h1i s VAL 5 Cb -0.05 -0.93 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 2h1i s VAL 5 CO 0.07 -0.07 -0.22 0.12 -0.31 0.00 0.00 175.10 174.69 2h1i s PHE 6 N -0.94 1.98 -0.05 2.82 5.36 -1.26 -2.09 117.98 123.80 2h1i s PHE 6 Ca -0.00 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 2h1i s PHE 6 Cb -0.08 -1.26 0.02 0.00 -0.34 0.00 0.00 43.02 41.36 2h1i s PHE 6 CO 0.01 -0.02 -0.05 -1.14 -1.46 0.00 0.00 175.22 172.56 2h1i s GLN 7 N -0.60 0.90 0.24 10.12 0.74 -0.59 -5.00 119.66 125.46 2h1i s GLN 7 Ca 0.09 -0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.07 2h1i s GLN 7 Cb -0.09 -0.89 -0.09 0.00 1.10 0.00 0.00 33.01 33.04 2h1i s GLN 7 CO -0.01 -0.08 0.95 0.21 -0.55 0.00 0.00 175.29 175.82 2h1i s LYS 8 N 0.91 4.84 0.26 1.67 2.47 -1.26 -0.94 119.74 127.69 2h1i s LYS 8 Ca -0.11 1.51 -0.06 0.00 -1.56 0.00 0.00 55.97 55.75 2h1i s LYS 8 Cb -0.14 -3.28 -0.06 0.00 -1.46 0.00 0.00 37.83 32.89 2h1i s LYS 8 CO 0.00 0.49 0.53 0.20 0.16 0.00 0.00 175.35 176.73 2h1i s GLY 9 N -1.10 1.97 0.15 5.54 0.00 -1.26 -4.81 107.32 107.80 2h1i s GLY 9 Ca 0.42 -0.51 -0.14 0.00 0.00 0.00 0.00 44.72 44.48 2h1i s GLY 9 CO 0.32 -0.41 1.71 0.50 0.00 0.00 0.00 173.10 175.23 2h1i h LYS 10 N 1.95 0.70 -4.68 2.90 6.56 -1.80 -3.38 116.57 118.82 2h1i h LYS 10 Ca -0.47 -0.12 -0.70 0.00 -1.06 0.00 0.00 60.65 58.30 2h1i h LYS 10 Cb 1.18 -0.12 -0.28 0.00 -0.57 0.00 0.00 32.23 32.45 2h1i h LYS 10 CO 0.67 0.62 -0.60 0.34 -2.06 0.00 0.00 179.45 178.42 2h1i s ASP 11 N -5.92 5.34 0.00 0.86 -1.08 -0.63 -4.96 116.67 110.29 2h1i s ASP 11 Ca -0.13 -1.07 0.14 0.00 -0.52 0.00 0.00 52.55 50.96 2h1i s ASP 11 Cb 0.11 -1.89 0.40 0.00 -1.46 0.00 0.00 42.92 40.08 2h1i s ASP 11 CO 0.77 -0.32 1.33 0.35 0.52 0.00 0.00 175.17 177.82 2h1i n THR 12 N 4.84 0.55 0.84 1.71 -2.24 -1.26 -3.22 114.28 115.49 2h1i n THR 12 Ca -0.13 -0.56 0.11 0.00 -2.27 0.00 0.00 64.05 61.21 2h1i n THR 12 Cb 0.45 0.30 0.08 0.00 -2.10 0.00 0.00 70.33 69.06 2h1i n THR 12 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2h1i n SER 13 N 0.73 0.66 -4.86 3.42 3.41 -1.26 -4.89 113.62 110.83 2h1i n SER 13 Ca 0.14 -0.40 -0.31 0.00 -0.26 0.00 0.00 58.87 58.04 2h1i n SER 13 Cb 0.36 0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 2h1i n SER 13 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2h1i s LYS 14 N -3.07 3.79 1.03 4.33 -0.14 -1.20 -5.06 119.74 119.42 2h1i s LYS 14 Ca 0.08 0.75 -0.17 0.00 -1.36 0.00 0.00 55.97 55.27 2h1i s LYS 14 Cb 0.16 -2.19 0.26 0.00 -1.68 0.00 0.00 37.83 34.38 2h1i s LYS 14 CO 0.78 -0.30 0.58 -2.30 -0.76 0.00 0.00 175.35 173.35 2h1i n PRO 15 N -1.89 -3.58 -4.65 -1.68 -0.02 -1.26 -4.81 135.00 117.10 2h1i n PRO 15 Ca 0.05 -0.98 -0.28 0.00 -2.02 0.00 0.00 63.50 60.27 2h1i n PRO 15 Cb 0.54 -1.35 -0.17 0.00 -0.02 0.00 0.00 33.50 32.51 2h1i n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2h1i s VAL 16 N -1.78 1.49 -0.29 -1.45 1.01 -0.34 -4.13 120.40 114.91 2h1i s VAL 16 Ca 0.45 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 2h1i s VAL 16 Cb -0.08 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2h1i s VAL 16 CO 0.38 0.44 0.47 -0.76 0.00 0.00 0.00 175.10 175.62 2h1i s LEU 17 N 0.75 4.15 -0.42 3.92 1.43 -0.30 -1.19 118.68 127.01 2h1i s LEU 17 Ca -0.12 0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 2h1i s LEU 17 Cb -0.16 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.54 2h1i s LEU 17 CO 0.02 -0.32 0.31 -0.22 0.23 0.00 0.00 176.35 176.38 2h1i s LEU 18 N 2.26 5.21 -0.02 1.79 2.96 -0.73 -0.21 118.68 129.94 2h1i s LEU 18 Ca 0.18 -1.10 -0.17 0.00 -0.22 0.00 0.00 54.13 52.82 2h1i s LEU 18 Cb -0.16 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 2h1i s LEU 18 CO 0.11 -0.51 0.47 -0.76 -1.32 0.00 0.00 176.35 174.34 2h1i s LEU 19 N 1.62 4.43 -0.20 -0.68 1.43 0.91 -0.64 118.68 125.55 2h1i s LEU 19 Ca 0.04 0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.11 2h1i s LEU 19 Cb -0.21 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.38 2h1i s LEU 19 CO 0.08 0.22 0.01 -0.76 0.23 0.00 0.00 176.35 176.13 2h1i s LEU 20 N -0.59 1.52 0.96 1.79 1.43 -0.42 -2.45 118.68 120.92 2h1i s LEU 20 Ca 0.26 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 2h1i s LEU 20 Cb -0.17 -0.74 0.17 0.00 0.03 0.00 0.00 46.19 45.48 2h1i s LEU 20 CO 0.14 -0.29 1.09 -1.38 0.23 0.00 0.00 176.35 176.14 2h1i s HIS 21 N 1.74 2.10 0.83 0.29 -3.43 -1.26 -1.52 115.29 114.04 2h1i s HIS 21 Ca -0.02 1.21 -0.12 0.00 -0.80 0.00 0.00 55.06 55.33 2h1i s HIS 21 Cb -0.18 -3.19 0.11 0.00 -1.43 0.00 0.00 32.58 27.90 2h1i s HIS 21 CO -0.07 -2.74 1.18 0.20 -2.00 0.00 0.00 174.74 171.30 2h1i s GLY 22 N -3.27 1.67 0.31 -1.38 0.00 -1.15 -1.80 107.32 101.70 2h1i s GLY 22 Ca 0.65 -0.90 -0.29 0.00 0.00 0.00 0.00 44.72 44.18 2h1i s GLY 22 CO 0.58 -0.35 1.30 2.41 0.00 0.00 0.00 173.10 177.04 2h1i n THR 23 N -3.34 1.73 0.00 0.90 -1.04 -1.26 -1.55 114.28 109.71 2h1i n THR 23 Ca 0.10 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 2h1i n THR 23 Cb 0.60 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 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 1.16 2.80 0.00 3.41 0.00 -0.80 -5.00 105.19 106.77 2h1i n GLY 24 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.98 -1.58 0.00 -0.02 0.00 -0.60 -4.56 105.19 97.45 2h1i n GLY 25 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2h1i n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2h1i n ASN 26 N -1.46 0.00 0.00 1.61 0.23 -1.26 -4.48 115.26 109.90 2h1i n ASN 26 Ca 0.00 -0.88 0.09 0.00 -0.53 0.00 0.00 54.58 53.25 2h1i n ASN 26 Cb 0.00 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.14 2h1i n ASN 26 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2h1i n GLU 27 N 0.00 0.24 -0.03 -3.83 0.00 -1.26 -2.67 120.64 113.08 2h1i n GLU 27 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 57.16 57.33 2h1i n GLU 27 Cb 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 29.79 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 -1.29 0.00 -0.19 -1.84 4.77 -1.26 -4.64 117.00 112.55 2h1i n LEU 28 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2h1i n LEU 28 Cb 0.14 0.12 0.10 0.00 -2.33 0.00 0.00 43.42 41.46 2h1i n LEU 28 CO 0.13 0.12 0.91 0.44 -1.33 0.00 0.00 177.39 177.67 2h1i h ASP 29 N 0.00 -0.00 0.03 -1.43 3.32 -1.92 -2.67 116.42 113.74 2h1i h ASP 29 Ca -0.14 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2h1i h ASP 29 Cb 1.22 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2h1i h ASP 29 CO 0.01 0.01 -0.04 0.18 -1.72 0.00 0.00 179.24 177.67 2h1i n LEU 30 N -5.13 1.48 -0.29 1.55 4.77 -1.26 -4.30 117.00 113.82 2h1i n LEU 30 Ca 0.08 -0.48 0.02 0.00 -0.03 0.00 0.00 56.01 55.60 2h1i n LEU 30 Cb 0.31 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2h1i n LEU 30 CO 0.17 0.25 0.68 -0.07 -1.33 0.00 0.00 177.39 177.09 2h1i h LEU 31 N 2.25 -0.89 -2.20 2.23 3.38 -1.75 0.21 115.31 118.54 2h1i h LEU 31 Ca 0.00 0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.28 2h1i h LEU 31 Cb 0.52 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2h1i h LEU 31 CO 0.00 -0.28 0.23 -0.65 0.09 0.00 0.00 178.44 177.83 2h1i h PRO 32 N -0.02 0.00 -0.06 1.13 0.11 -1.82 0.72 132.00 132.06 2h1i h PRO 32 Ca 0.37 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.39 2h1i h PRO 32 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2h1i h PRO 32 CO -0.85 0.00 -0.37 -0.07 -0.21 0.00 0.00 178.00 176.50 2h1i h LEU 33 N 0.00 0.11 -0.23 2.35 3.38 -0.89 -2.34 115.31 117.69 2h1i h LEU 33 Ca 0.10 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2h1i h LEU 33 Cb 0.55 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2h1i h LEU 33 CO -0.00 0.48 -0.28 0.00 0.09 0.00 0.00 178.44 178.73 2h1i h ALA 34 N 1.52 0.35 -0.49 1.53 0.00 -0.85 0.16 119.26 121.49 2h1i h ALA 34 Ca 0.01 -0.40 0.10 0.00 0.00 0.00 0.00 54.91 54.62 2h1i h ALA 34 Cb 0.71 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2h1i h ALA 34 CO 0.05 0.35 -0.18 0.93 0.00 0.00 0.00 179.25 180.41 2h1i h GLU 35 N 0.30 -0.07 -0.17 0.00 5.08 -1.41 -0.30 114.58 118.02 2h1i h GLU 35 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2h1i h GLU 35 Cb 0.85 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2h1i h GLU 35 CO 0.07 -0.05 -0.12 0.82 -1.00 0.00 0.00 179.01 178.73 2h1i h ILE 36 N -0.07 1.33 -0.11 3.13 2.04 -1.17 -2.77 117.51 119.88 2h1i h ILE 36 Ca 0.23 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.79 2h1i h ILE 36 Cb 0.43 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2h1i h ILE 36 CO -0.54 0.37 -0.20 0.58 0.00 0.00 0.00 178.15 178.36 2h1i h VAL 37 N 0.04 1.38 -1.25 1.67 2.07 -0.54 -3.43 116.25 116.18 2h1i h VAL 37 Ca 0.03 -1.46 -0.14 0.00 0.82 0.00 0.00 66.70 65.95 2h1i h VAL 37 Cb 0.63 2.07 -0.22 0.00 -1.52 0.00 0.00 31.29 32.24 2h1i h VAL 37 CO 0.03 0.42 -0.51 -0.62 0.02 0.00 0.00 177.57 176.91 2h1i s ASP 38 N -6.20 -0.82 0.50 0.57 -1.08 -0.13 -4.89 116.67 104.61 2h1i s ASP 38 Ca -0.14 -0.97 0.20 0.00 -0.52 0.00 0.00 52.55 51.12 2h1i s ASP 38 Cb 0.04 1.60 1.26 0.00 -1.46 0.00 0.00 42.92 44.36 2h1i s ASP 38 CO 0.76 -0.20 2.03 0.77 0.52 0.00 0.00 175.17 179.05 2h1i h SER 39 N 7.04 0.11 -0.04 -0.34 4.64 -1.52 -1.34 113.55 122.10 2h1i h SER 39 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2h1i h SER 39 Cb 1.15 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2h1i h SER 39 CO 0.13 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 175.54 2h1i n GLU 40 N -4.44 1.17 -4.06 4.77 -0.58 -1.26 -4.76 120.64 111.47 2h1i n GLU 40 Ca 0.07 -0.25 -0.32 0.00 -0.42 0.00 0.00 57.16 56.24 2h1i n GLU 40 Cb 0.42 -1.31 -0.06 0.00 -0.57 0.00 0.00 31.44 29.92 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 -1.95 3.64 0.67 0.62 0.00 -0.51 -1.60 121.76 122.63 2h1i s ALA 41 Ca 0.28 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 2h1i s ALA 41 Cb 0.14 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.69 2h1i s ALA 41 CO 0.22 0.73 1.19 -1.12 0.00 0.00 0.00 175.76 176.78 2h1i s SER 42 N -2.04 4.67 -0.05 0.00 0.01 -1.26 -4.47 113.70 110.55 2h1i s SER 42 Ca 0.26 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.83 2h1i s SER 42 Cb -0.12 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.55 2h1i s SER 42 CO 0.18 -1.94 -0.04 -0.69 0.41 0.00 0.00 173.24 171.17 2h1i s VAL 43 N -1.92 0.53 -0.22 3.43 1.01 -0.12 -1.15 120.40 121.96 2h1i s VAL 43 Ca 0.74 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2h1i s VAL 43 Cb -0.28 -0.58 0.04 0.00 0.00 0.00 0.00 36.38 35.56 2h1i s VAL 43 CO 0.41 0.24 -0.14 -0.22 0.00 0.00 0.00 175.10 175.39 2h1i s LEU 44 N 1.19 2.67 -0.14 3.92 2.96 0.71 -1.54 118.68 128.45 2h1i s LEU 44 Ca -0.07 -1.00 0.02 0.00 -0.22 0.00 0.00 54.13 52.86 2h1i s LEU 44 Cb -0.14 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.13 2h1i s LEU 44 CO -0.01 -0.11 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.17 2h1i s SER 45 N 1.25 2.84 0.09 3.68 0.15 -0.89 -0.07 113.70 120.75 2h1i s SER 45 Ca -0.02 -0.54 0.08 0.00 0.70 0.00 0.00 55.95 56.17 2h1i s SER 45 Cb -0.17 -1.30 -0.04 0.00 -1.71 0.00 0.00 66.02 62.81 2h1i s SER 45 CO -0.09 0.03 -0.16 -0.69 1.20 0.00 0.00 173.24 173.53 2h1i s VAL 46 N 1.02 2.96 -0.10 4.45 1.01 -1.02 -1.15 120.40 127.57 2h1i s VAL 46 Ca -0.04 -1.34 -0.05 0.00 0.00 0.00 0.00 61.98 60.55 2h1i s VAL 46 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2h1i s VAL 46 CO -0.04 0.18 0.12 -0.60 0.00 0.00 0.00 175.10 174.76 2h1i s ARG 47 N -1.92 3.35 0.69 2.72 3.52 -0.06 -4.33 118.95 122.91 2h1i s ARG 47 Ca 0.18 -0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.40 2h1i s ARG 47 Cb -0.11 -3.10 0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2h1i s ARG 47 CO 0.09 0.75 1.19 0.20 -0.81 0.00 0.00 175.30 176.72 2h1i s GLY 48 N -1.15 2.41 0.00 8.12 0.00 -1.26 -4.43 107.32 111.02 2h1i s GLY 48 Ca 0.17 0.86 0.21 0.00 0.00 0.00 0.00 44.72 45.95 2h1i s GLY 48 CO 0.06 1.25 1.45 0.70 0.00 0.00 0.00 173.10 176.56 2h1i n ASN 49 N -2.40 3.12 -4.37 1.64 5.03 -1.01 -4.47 115.26 112.80 2h1i n ASN 49 Ca 0.13 -1.96 -0.32 0.00 0.87 0.00 0.00 54.58 53.31 2h1i n ASN 49 Cb 0.50 -0.31 -0.15 0.00 -1.02 0.00 0.00 39.78 38.80 2h1i n ASN 49 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2h1i s VAL 50 N -1.38 2.44 -0.04 2.41 1.01 -0.81 -5.00 120.40 119.02 2h1i s VAL 50 Ca 0.39 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2h1i s VAL 50 Cb 0.21 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2h1i s VAL 50 CO 0.29 0.58 0.07 -0.76 0.00 0.00 0.00 175.10 175.28 2h1i s LEU 51 N -0.64 3.89 -0.38 3.92 1.43 -1.26 -0.65 118.68 124.99 2h1i s LEU 51 Ca 0.10 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2h1i s LEU 51 Cb -0.10 -2.14 0.14 0.00 0.03 0.00 0.00 46.19 44.11 2h1i s LEU 51 CO -0.00 0.31 0.22 -0.70 0.23 0.00 0.00 176.35 176.42 2h1i s GLU 52 N -1.45 0.82 -0.97 1.70 2.12 -1.26 -4.81 118.70 114.85 2h1i s GLU 52 Ca 0.20 -1.59 -0.05 0.00 0.36 0.00 0.00 54.97 53.89 2h1i s GLU 52 Cb -0.12 -1.68 0.01 0.00 0.26 0.00 0.00 34.13 32.60 2h1i s GLU 52 CO 0.10 -1.20 0.84 0.09 -0.54 0.00 0.00 175.26 174.56 2h1i n ASN 53 N 3.84 -4.57 -2.10 -1.70 3.02 -1.26 -4.84 115.26 107.65 2h1i n ASN 53 Ca 0.11 -0.41 -0.03 0.00 -0.03 0.00 0.00 54.58 54.22 2h1i n ASN 53 Cb 0.36 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 2h1i n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h1i n GLY 54 N -1.51 -0.96 3.05 7.41 0.00 -1.26 -5.18 105.19 106.75 2h1i n GLY 54 Ca -0.04 0.49 -0.22 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.74 1.20 0.18 1.61 0.02 -1.26 -5.03 135.00 129.98 2h1i s PRO 56 Ca 0.11 -0.42 -0.06 0.00 0.02 0.00 0.00 61.00 60.65 2h1i s PRO 56 Cb -0.03 -1.10 -0.02 0.00 0.02 0.00 0.00 34.50 33.37 2h1i s PRO 56 CO 0.34 0.18 0.23 1.03 -0.33 0.00 0.00 177.00 178.44 2h1i s ARG 57 N 0.07 1.20 0.16 5.54 0.52 0.18 -1.90 118.95 124.71 2h1i s ARG 57 Ca -0.02 -1.38 0.20 0.00 -0.52 0.00 0.00 55.73 54.02 2h1i s ARG 57 Cb -0.09 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 2h1i s ARG 57 CO 0.01 -0.42 0.98 0.74 0.02 0.00 0.00 175.30 176.63 2h1i h PHE 58 N 2.58 0.00 -2.22 -0.53 -1.00 -1.88 -2.08 116.94 111.81 2h1i h PHE 58 Ca -0.33 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.47 2h1i h PHE 58 Cb 1.23 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 40.62 2h1i h PHE 58 CO 0.39 0.21 0.34 -0.59 -1.61 0.00 0.00 178.31 177.05 2h1i s PHE 59 N -3.20 -0.50 0.63 -0.55 -0.12 -1.26 -4.61 117.98 108.37 2h1i s PHE 59 Ca -0.01 0.63 -0.18 0.00 -0.05 0.00 0.00 56.93 57.32 2h1i s PHE 59 Cb 0.09 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 2h1i s PHE 59 CO 0.80 -0.60 1.21 1.03 -0.05 0.00 0.00 175.22 177.61 2h1i s ARG 60 N -2.23 2.74 0.34 1.99 0.52 -1.26 -4.97 118.95 116.08 2h1i s ARG 60 Ca -0.03 1.81 0.05 0.00 -0.52 0.00 0.00 55.73 57.04 2h1i s ARG 60 Cb -0.01 -1.90 -0.07 0.00 0.52 0.00 0.00 34.95 33.50 2h1i s ARG 60 CO -0.02 -1.38 0.04 -0.98 0.02 0.00 0.00 175.30 172.98 2h1i s ARG 61 N -3.51 1.71 -0.08 3.54 1.70 -1.26 -2.36 118.95 118.69 2h1i s ARG 61 Ca 0.77 -1.95 0.13 0.00 -0.47 0.00 0.00 55.73 54.20 2h1i s ARG 61 Cb -0.30 -1.04 -0.19 0.00 -0.57 0.00 0.00 34.95 32.85 2h1i s ARG 61 CO 0.37 -0.15 0.16 1.28 -1.08 0.00 0.00 175.30 175.88 2h1i n LEU 62 N -0.74 0.00 -3.88 -1.89 4.77 0.50 -4.69 117.00 111.07 2h1i n LEU 62 Ca -0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 2h1i n LEU 62 Cb 0.67 0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.95 2h1i n LEU 62 CO 0.44 0.18 0.43 0.00 -1.33 0.00 0.00 177.39 177.11 2h1i s ALA 63 N -2.60 -0.27 0.31 -1.18 0.00 -1.20 -5.04 121.76 111.78 2h1i s ALA 63 Ca -0.06 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 2h1i s ALA 63 Cb 0.06 0.79 -0.10 0.00 0.00 0.00 0.00 23.12 23.87 2h1i s ALA 63 CO 0.56 -0.93 1.21 -1.83 0.00 0.00 0.00 175.76 174.77 2h1i s GLU 64 N -2.35 4.47 0.00 0.00 -1.05 -1.26 -2.79 118.70 115.73 2h1i s GLU 64 Ca 0.20 2.02 0.00 0.00 -0.15 0.00 0.00 54.97 57.04 2h1i s GLU 64 Cb -0.04 -3.11 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 2h1i s GLU 64 CO 0.15 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.75 2h1i n GLY 65 N 0.96 1.10 2.85 -3.83 0.00 -1.26 -4.97 105.19 100.05 2h1i n GLY 65 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.71 1.24 0.22 -0.61 1.01 -1.12 -5.10 121.20 113.13 2h1i s ILE 66 Ca 0.00 -1.31 -0.16 0.00 0.00 0.00 0.00 60.65 59.18 2h1i s ILE 66 Cb 0.00 -1.74 -0.08 0.00 0.01 0.00 0.00 42.46 40.65 2h1i s ILE 66 CO 0.00 -0.37 0.65 -0.36 0.00 0.00 0.00 174.94 174.86 2h1i s PHE 67 N 1.48 3.56 -0.80 3.97 0.08 -1.26 -0.37 117.98 124.64 2h1i s PHE 67 Ca 0.02 1.20 -0.25 0.00 0.12 0.00 0.00 56.93 58.02 2h1i s PHE 67 Cb -0.18 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.77 2h1i s PHE 67 CO -0.13 0.31 1.74 0.34 -0.10 0.00 0.00 175.22 177.38 2h1i s ASP 68 N -1.85 5.56 0.29 1.36 -1.08 -1.00 -4.74 116.67 115.20 2h1i s ASP 68 Ca 0.44 -0.42 -0.03 0.00 -0.52 0.00 0.00 52.55 52.02 2h1i s ASP 68 Cb -0.14 -2.55 0.40 0.00 -1.46 0.00 0.00 42.92 39.17 2h1i s ASP 68 CO 0.20 -2.29 1.95 -0.08 0.52 0.00 0.00 175.17 175.47 2h1i h GLU 69 N 12.11 1.14 -0.86 4.34 4.81 -1.94 -1.33 114.58 132.86 2h1i h GLU 69 Ca -0.07 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2h1i h GLU 69 Cb 1.07 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 2h1i h GLU 69 CO 1.26 0.76 0.53 1.49 -0.73 0.00 0.00 179.01 182.32 2h1i h GLU 70 N 1.18 0.94 -0.06 1.92 4.81 -1.98 -1.93 114.58 119.46 2h1i h GLU 70 Ca 0.33 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 59.26 2h1i h GLU 70 Cb -0.10 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.08 2h1i h GLU 70 CO -0.08 0.62 -0.93 0.22 -0.73 0.00 0.00 179.01 178.11 2h1i h ASP 71 N 0.97 0.88 -0.17 1.04 3.58 -1.70 -2.70 116.42 118.31 2h1i h ASP 71 Ca 0.38 -0.65 0.04 0.00 0.42 0.00 0.00 57.03 57.21 2h1i h ASP 71 Cb 0.18 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 2h1i h ASP 71 CO -0.18 1.45 -0.07 0.25 -2.88 0.00 0.00 179.24 177.82 2h1i h LEU 72 N 0.43 -0.23 -0.67 2.28 5.85 -1.04 0.54 115.31 122.46 2h1i h LEU 72 Ca -0.10 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2h1i h LEU 72 Cb 1.57 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.66 2h1i h LEU 72 CO 0.18 -0.09 0.25 0.40 -0.34 0.00 0.00 178.44 178.85 2h1i h ILE 73 N -0.04 0.73 -0.18 4.05 2.04 -1.36 0.90 117.51 123.65 2h1i h ILE 73 Ca 0.09 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2h1i h ILE 73 Cb 0.18 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2h1i h ILE 73 CO -0.20 0.08 -0.01 0.15 0.00 0.00 0.00 178.15 178.16 2h1i h PHE 74 N 0.43 0.36 0.00 1.37 3.57 -0.96 -2.56 116.94 119.15 2h1i h PHE 74 Ca 0.35 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 2h1i h PHE 74 Cb 0.46 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2h1i h PHE 74 CO -0.17 0.55 -0.37 0.00 -2.23 0.00 0.00 178.31 176.09 2h1i h ARG 75 N 0.07 0.00 -0.49 1.11 2.47 0.51 -1.69 114.38 116.36 2h1i h ARG 75 Ca 0.05 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 2h1i h ARG 75 Cb 0.41 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2h1i h ARG 75 CO 0.01 0.37 0.09 1.15 0.56 0.00 0.00 179.97 182.16 2h1i h THR 76 N 0.00 1.25 -0.47 2.04 2.02 -0.68 -1.29 112.91 115.77 2h1i h THR 76 Ca -0.00 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.18 2h1i h THR 76 Cb 0.80 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 2h1i h THR 76 CO 0.05 0.32 -0.13 0.50 0.37 0.00 0.00 175.52 176.62 2h1i h LYS 77 N 0.67 0.89 -0.47 6.66 3.64 -1.06 -1.91 116.57 125.00 2h1i h LYS 77 Ca 0.15 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 2h1i h LYS 77 Cb 0.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2h1i h LYS 77 CO 0.01 0.97 -0.12 1.49 -2.27 0.00 0.00 179.45 179.52 2h1i h GLU 78 N 0.79 0.91 -0.43 1.90 4.81 -1.17 -1.12 114.58 120.26 2h1i h GLU 78 Ca 0.12 -0.35 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 2h1i h GLU 78 Cb 0.66 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2h1i h GLU 78 CO 0.05 1.00 -0.02 1.25 -0.73 0.00 0.00 179.01 180.56 2h1i h LEU 79 N 0.75 0.77 -0.28 1.64 5.85 -1.14 0.60 115.31 123.50 2h1i h LEU 79 Ca 0.12 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2h1i h LEU 79 Cb 0.68 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2h1i h LEU 79 CO 0.05 0.90 0.15 -1.13 -0.34 0.00 0.00 178.44 178.07 2h1i h ASN 80 N 0.62 0.23 -0.22 1.25 -1.24 -1.24 -0.54 115.58 114.45 2h1i h ASN 80 Ca 0.12 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 2h1i h ASN 80 Cb 0.52 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 2h1i h ASN 80 CO 0.03 0.17 -0.02 -0.08 -1.29 0.00 0.00 177.43 176.24 2h1i h GLU 81 N 0.31 0.53 -0.57 6.67 4.57 -1.07 -2.25 114.58 122.77 2h1i h GLU 81 Ca 0.11 -0.12 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2h1i h GLU 81 Cb 0.01 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 2h1i h GLU 81 CO -0.06 0.57 0.34 0.35 -1.18 0.00 0.00 179.01 179.03 2h1i h PHE 82 N 0.50 0.63 -0.70 0.92 3.57 -0.29 -1.27 116.94 120.30 2h1i h PHE 82 Ca 0.11 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2h1i h PHE 82 Cb 0.36 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 2h1i h PHE 82 CO 0.01 0.35 0.45 -0.07 -2.23 0.00 0.00 178.31 176.82 2h1i h LEU 83 N 0.66 0.75 -0.38 0.59 3.38 -0.60 0.35 115.31 120.06 2h1i h LEU 83 Ca 0.23 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2h1i h LEU 83 Cb 0.04 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 2h1i h LEU 83 CO -0.11 0.52 -0.13 0.44 0.09 0.00 0.00 178.44 179.25 2h1i h ASP 84 N 0.89 -0.47 -0.06 -0.43 5.19 -0.91 -0.62 116.42 120.01 2h1i h ASP 84 Ca 0.27 0.13 -0.21 0.00 -0.62 0.00 0.00 57.03 56.60 2h1i h ASP 84 Cb -0.02 0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2h1i h ASP 84 CO -0.09 -0.17 -0.73 -0.33 -3.12 0.00 0.00 179.24 174.79 2h1i h GLU 85 N -0.05 0.70 -0.44 3.56 4.39 -0.27 -3.16 114.58 119.31 2h1i h GLU 85 Ca 0.19 -0.55 -0.10 0.00 0.34 0.00 0.00 59.36 59.24 2h1i h GLU 85 Cb 0.34 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2h1i h GLU 85 CO -0.42 1.17 -0.10 0.00 -1.16 0.00 0.00 179.01 178.49 2h1i h ALA 86 N 0.68 0.60 -0.78 3.43 0.00 -0.17 -0.87 119.26 122.15 2h1i h ALA 86 Ca -0.04 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2h1i h ALA 86 Cb 1.34 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2h1i h ALA 86 CO 0.15 0.49 0.51 0.00 0.00 0.00 0.00 179.25 180.40 2h1i h ALA 87 N 0.86 1.64 -0.00 0.00 0.00 -1.16 -0.89 119.26 119.71 2h1i h ALA 87 Ca 0.11 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 2h1i h ALA 87 Cb 0.64 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2h1i h ALA 87 CO 0.04 0.24 -0.92 0.87 0.00 0.00 0.00 179.25 179.48 2h1i h LYS 88 N 0.84 0.37 -0.12 0.00 1.57 -1.44 -1.64 116.57 116.14 2h1i h LYS 88 Ca 0.33 -0.39 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 2h1i h LYS 88 Cb 0.24 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.67 2h1i h LYS 88 CO -0.12 1.07 -0.61 1.49 -0.57 0.00 0.00 179.45 180.71 2h1i h GLU 89 N 0.21 0.63 -0.29 3.15 4.57 -0.61 -3.32 114.58 118.92 2h1i h GLU 89 Ca -0.07 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 2h1i h GLU 89 Cb 1.55 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 2h1i h GLU 89 CO 0.16 1.13 0.00 0.66 -1.18 0.00 0.00 179.01 179.78 2h1i n TYR 90 N -4.12 0.37 -3.40 0.92 4.02 -0.39 -5.02 117.16 109.55 2h1i n TYR 90 Ca -0.08 -0.25 -0.15 0.00 -0.01 0.00 0.00 57.90 57.41 2h1i n TYR 90 Cb 0.66 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.99 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 1.08 -1.45 -4.26 -0.72 4.76 -0.66 -5.03 118.16 111.87 2h1i n LYS 91 Ca 0.15 1.00 -0.14 0.00 -2.87 0.00 0.00 58.31 56.45 2h1i n LYS 91 Cb 0.49 -4.60 -0.10 0.00 -1.84 0.00 0.00 35.03 28.98 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 -3.16 1.27 -0.49 2.13 -0.12 -0.93 -5.06 117.98 111.63 2h1i s PHE 92 Ca 0.17 -0.91 -0.27 0.00 -0.05 0.00 0.00 56.93 55.87 2h1i s PHE 92 Cb -0.05 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.62 2h1i s PHE 92 CO 0.81 -0.08 1.77 0.34 -0.05 0.00 0.00 175.22 178.01 2h1i s ASP 93 N -3.19 5.65 0.38 1.98 -1.08 -1.26 -4.71 116.67 114.44 2h1i s ASP 93 Ca 0.21 0.73 0.27 0.00 -0.52 0.00 0.00 52.55 53.24 2h1i s ASP 93 Cb 0.05 -2.53 1.35 0.00 -1.46 0.00 0.00 42.92 40.33 2h1i s ASP 93 CO 0.03 -2.01 1.81 -0.09 0.52 0.00 0.00 175.17 175.44 2h1i h ARG 94 N 13.58 0.00 -0.52 4.34 9.65 -1.94 -2.42 114.38 137.07 2h1i h ARG 94 Ca -0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2h1i h ARG 94 Cb 1.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2h1i h ARG 94 CO 1.14 0.00 0.00 0.09 2.80 0.00 0.00 179.97 184.00 2h1i n ASN 95 N -2.45 4.06 -2.93 -3.80 3.02 -1.26 -4.48 115.26 107.43 2h1i n ASN 95 Ca -0.01 -2.37 -0.13 0.00 -0.03 0.00 0.00 54.58 52.04 2h1i n ASN 95 Cb 0.10 -0.47 0.02 0.00 -0.61 0.00 0.00 39.78 38.82 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 0.77 0.46 -4.52 6.41 5.15 -0.91 -4.79 115.26 117.83 2h1i n ASN 96 Ca 0.21 -2.95 -0.34 0.00 -0.60 0.00 0.00 54.58 50.91 2h1i n ASN 96 Cb 0.74 -0.17 -0.12 0.00 -0.53 0.00 0.00 39.78 39.70 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 -2.15 4.02 -0.26 -1.44 1.01 -1.26 -1.19 121.20 119.93 2h1i s ILE 97 Ca 0.32 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 2h1i s ILE 97 Cb 0.38 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 40.10 2h1i s ILE 97 CO -0.04 0.49 -0.01 -0.69 0.00 0.00 0.00 174.94 174.69 2h1i s VAL 98 N 0.38 3.35 0.39 2.92 1.01 -0.33 -0.31 120.40 127.80 2h1i s VAL 98 Ca -0.03 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 2h1i s VAL 98 Cb -0.14 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 2h1i s VAL 98 CO 0.03 0.20 1.03 0.00 0.00 0.00 0.00 175.10 176.36 2h1i s ALA 99 N 1.42 3.11 -0.18 5.51 0.00 -0.86 -1.77 121.76 128.98 2h1i s ALA 99 Ca 0.02 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 2h1i s ALA 99 Cb -0.16 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 19.75 2h1i s ALA 99 CO -0.02 -0.14 -0.03 0.42 0.00 0.00 0.00 175.76 175.99 2h1i s ILE 100 N -1.66 1.04 0.00 0.00 1.01 0.19 0.53 121.20 122.32 2h1i s ILE 100 Ca 0.57 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2h1i s ILE 100 Cb -0.21 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2h1i s ILE 100 CO 0.27 0.01 -0.09 -0.83 0.00 0.00 0.00 174.94 174.30 2h1i s GLY 101 N 1.64 0.46 -0.13 6.18 0.00 -0.27 -1.31 107.32 113.90 2h1i s GLY 101 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 44.72 44.25 2h1i s GLY 101 CO -0.07 -0.42 -0.13 -0.47 0.00 0.00 0.00 173.10 172.01 2h1i s TYR 102 N -0.41 2.80 0.00 1.90 5.04 -0.57 -0.79 117.35 125.32 2h1i s TYR 102 Ca 0.02 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 2h1i s TYR 102 Cb -0.04 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.41 2h1i s TYR 102 CO -0.00 -0.26 0.00 0.45 -1.34 0.00 0.00 175.55 174.40 2h1i n SER 103 N 3.62 0.00 -0.10 4.32 2.88 0.21 -1.61 113.62 122.94 2h1i n SER 103 Ca -0.18 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.30 2h1i n SER 103 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.24 -0.91 -3.46 -0.00 -1.86 0.85 115.58 109.95 2h1i h ASN 104 Ca 0.00 0.09 0.15 0.00 -0.00 0.00 0.00 56.30 56.54 2h1i h ASN 104 Cb 0.00 0.18 -0.07 0.00 -0.00 0.00 0.00 38.32 38.43 2h1i h ASN 104 CO 0.00 -0.08 0.58 1.23 -0.00 0.00 0.00 177.43 179.16 2h1i h GLY 105 N 0.04 1.25 1.84 1.57 0.00 -0.50 0.11 103.07 107.38 2h1i h GLY 105 Ca 0.17 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 2h1i h GLY 105 CO -0.32 0.07 -0.42 0.00 0.00 0.00 0.00 176.54 175.87 2h1i h ALA 106 N 1.60 1.14 -0.67 3.60 0.00 -0.87 -1.60 119.26 122.47 2h1i h ALA 106 Ca 0.46 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2h1i h ALA 106 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2h1i h ALA 106 CO -0.22 0.58 0.14 -0.91 0.00 0.00 0.00 179.25 178.84 2h1i h ASN 107 N 0.15 1.04 1.04 0.00 2.35 0.80 -0.29 115.58 120.67 2h1i h ASN 107 Ca 0.01 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.40 2h1i h ASN 107 Cb 0.81 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2h1i h ASN 107 CO 0.06 1.02 -0.56 -0.29 -1.65 0.00 0.00 177.43 176.02 2h1i h ILE 108 N 1.02 1.10 -0.58 2.81 2.10 -0.99 -1.74 117.51 121.23 2h1i h ILE 108 Ca 0.21 -2.15 -0.09 0.00 1.08 0.00 0.00 64.86 63.90 2h1i h ILE 108 Cb 0.41 2.27 -0.02 0.00 -1.09 0.00 0.00 36.82 38.39 2h1i h ILE 108 CO 0.01 0.55 -0.01 0.00 -1.08 0.00 0.00 178.15 177.61 2h1i h ALA 109 N 1.44 0.89 -0.49 0.18 0.00 -1.01 -1.35 119.26 118.92 2h1i h ALA 109 Ca -0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2h1i h ALA 109 Cb 1.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2h1i h ALA 109 CO 0.07 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.96 2h1i h ALA 110 N 1.05 1.05 -0.14 0.00 0.00 -0.84 -2.31 119.26 118.07 2h1i h ALA 110 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2h1i h ALA 110 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2h1i h ALA 110 CO 0.03 0.59 -0.19 1.03 0.00 0.00 0.00 179.25 180.71 2h1i h SER 111 N 0.77 0.23 -0.09 0.00 0.87 -0.87 -1.12 113.55 113.34 2h1i h SER 111 Ca 0.15 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2h1i h SER 111 Cb 0.48 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2h1i h SER 111 CO 0.02 0.44 0.03 -0.07 -0.53 0.00 0.00 176.83 176.72 2h1i h LEU 112 N 0.22 0.12 -0.84 2.23 3.38 -0.71 -1.93 115.31 117.78 2h1i h LEU 112 Ca 0.04 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2h1i h LEU 112 Cb 0.47 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2h1i h LEU 112 CO 0.03 0.26 0.54 -0.07 0.09 0.00 0.00 178.44 179.29 2h1i h LEU 113 N -0.02 0.91 -0.43 1.67 3.38 -1.12 0.16 115.31 119.86 2h1i h LEU 113 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2h1i h LEU 113 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2h1i h LEU 113 CO -0.00 0.63 0.22 -0.26 0.09 0.00 0.00 178.44 179.12 2h1i h PHE 114 N 1.07 0.60 0.00 1.13 -1.00 -1.06 -3.31 116.94 114.37 2h1i h PHE 114 Ca 0.33 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.09 2h1i h PHE 114 Cb -0.02 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.35 2h1i h PHE 114 CO -0.02 0.48 -0.89 0.45 -1.61 0.00 0.00 178.31 176.71 2h1i h HIS 115 N 0.55 0.00 -2.32 -0.55 3.86 -1.00 -1.21 115.15 114.48 2h1i h HIS 115 Ca 0.15 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.10 2h1i h HIS 115 Cb 0.09 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.22 2h1i h HIS 115 CO -0.02 0.00 -0.58 0.71 0.86 0.00 0.00 177.93 178.91 2h1i s TYR 116 N -3.30 -0.45 0.28 2.45 1.51 0.01 -4.88 117.35 112.98 2h1i s TYR 116 Ca 0.02 0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 56.46 2h1i s TYR 116 Cb 0.11 -0.24 0.37 0.00 -0.11 0.00 0.00 41.96 42.09 2h1i s TYR 116 CO 0.77 -0.64 1.94 0.93 -1.11 0.00 0.00 175.55 177.44 2h1i h GLU 117 N 8.27 1.15 -0.52 -0.62 5.08 -1.83 -3.03 114.58 123.08 2h1i h GLU 117 Ca -0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2h1i h GLU 117 Cb 1.15 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2h1i h GLU 117 CO 0.28 0.78 0.00 0.09 -1.00 0.00 0.00 179.01 179.16 2h1i n ASN 118 N -4.38 3.45 -0.07 1.42 3.02 -1.26 -4.48 115.26 112.95 2h1i n ASN 118 Ca 0.10 -1.98 -0.12 0.00 -0.03 0.00 0.00 54.58 52.54 2h1i n ASN 118 Cb 0.04 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 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 4.37 0.28 -2.53 5.41 0.00 -1.85 -3.46 119.26 121.47 2h1i h ALA 119 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 54.91 54.24 2h1i h ALA 119 Cb 0.92 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.48 2h1i h ALA 119 CO 0.00 0.10 -0.74 -0.51 0.00 0.00 0.00 179.25 178.11 2h1i s LEU 120 N -9.25 2.48 -0.17 0.00 1.43 -1.26 -4.87 118.68 107.03 2h1i s LEU 120 Ca -0.14 -0.92 0.16 0.00 -1.03 0.00 0.00 54.13 52.20 2h1i s LEU 120 Cb 0.06 -0.49 -0.24 0.00 0.03 0.00 0.00 46.19 45.55 2h1i s LEU 120 CO 0.75 -0.22 0.17 1.17 0.23 0.00 0.00 176.35 178.46 2h1i n LYS 121 N 0.11 0.68 -3.85 1.70 4.81 0.58 -4.95 118.16 117.25 2h1i n LYS 121 Ca -0.12 0.06 -0.08 0.00 -0.87 0.00 0.00 58.31 57.29 2h1i n LYS 121 Cb 0.59 -1.57 -0.00 0.00 0.02 0.00 0.00 35.03 34.06 2h1i n LYS 121 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2h1i s GLY 122 N -5.46 0.17 -0.21 3.14 0.00 -1.12 -3.02 107.32 100.82 2h1i s GLY 122 Ca -0.10 -0.55 -0.14 0.00 0.00 0.00 0.00 44.72 43.93 2h1i s GLY 122 CO 0.82 -0.23 0.52 0.00 0.00 0.00 0.00 173.10 174.22 2h1i s ALA 123 N -3.21 -1.36 -0.38 3.20 0.00 -0.66 -2.02 121.76 117.32 2h1i s ALA 123 Ca 0.14 1.77 -0.16 0.00 0.00 0.00 0.00 51.96 53.71 2h1i s ALA 123 Cb -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2h1i s ALA 123 CO 0.09 -0.29 0.38 0.08 0.00 0.00 0.00 175.76 176.02 2h1i s VAL 124 N 1.11 5.15 -0.36 0.00 1.01 0.19 -0.78 120.40 126.72 2h1i s VAL 124 Ca -0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 2h1i s VAL 124 Cb -0.06 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.45 2h1i s VAL 124 CO -0.10 -0.25 0.14 -0.76 0.00 0.00 0.00 175.10 174.13 2h1i s LEU 125 N 2.02 4.54 -0.40 3.92 1.43 0.37 -1.11 118.68 129.45 2h1i s LEU 125 Ca 0.11 -1.24 -0.19 0.00 -1.03 0.00 0.00 54.13 51.78 2h1i s LEU 125 Cb -0.17 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2h1i s LEU 125 CO 0.12 -0.38 0.54 -1.00 0.23 0.00 0.00 176.35 175.87 2h1i s HIS 126 N 1.40 3.13 -1.05 0.29 3.76 0.03 -0.83 115.29 122.02 2h1i s HIS 126 Ca -0.00 -0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2h1i s HIS 126 Cb -0.20 -3.08 -0.01 0.00 1.11 0.00 0.00 32.58 30.40 2h1i s HIS 126 CO 0.03 -0.70 0.88 0.72 -0.85 0.00 0.00 174.74 174.82 2h1i n HIS 127 N 5.90 -2.00 -0.38 1.40 8.25 0.13 -0.62 115.22 127.91 2h1i n HIS 127 Ca -0.04 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 2h1i n HIS 127 Cb 0.48 -4.64 0.00 0.00 1.12 0.00 0.00 29.99 26.95 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 -3.68 2.53 -3.08 -0.41 -0.04 -1.26 -4.14 135.00 124.91 2h1i n PRO 128 Ca -0.23 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.82 2h1i n PRO 128 Cb 0.65 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.68 4.95 0.16 0.52 1.01 -1.26 -4.72 120.40 121.73 2h1i s VAL 130 Ca 0.00 1.14 -0.06 0.00 0.00 0.00 0.00 61.98 63.06 2h1i s VAL 130 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 2h1i s VAL 130 CO 0.00 -0.03 1.43 1.55 0.00 0.00 0.00 175.10 178.06 2h1i h PRO 131 N 7.93 0.64 -2.99 2.72 0.13 -1.92 -3.46 132.00 135.04 2h1i h PRO 131 Ca -0.26 -0.45 -0.15 0.00 -0.87 0.00 0.00 66.00 64.27 2h1i h PRO 131 Cb 1.12 0.07 -0.25 0.00 0.13 0.00 0.00 31.00 32.07 2h1i h PRO 131 CO 0.79 1.06 -0.36 1.03 -0.23 0.00 0.00 178.00 180.30 2h1i s ARG 132 N -3.90 0.36 0.20 0.86 0.52 -1.26 -5.00 118.95 110.73 2h1i s ARG 132 Ca -0.08 0.43 0.08 0.00 -0.52 0.00 0.00 55.73 55.63 2h1i s ARG 132 Cb 0.10 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 2h1i s ARG 132 CO 0.86 -0.04 0.03 1.03 0.02 0.00 0.00 175.30 177.20 2h1i s ARG 133 N 0.18 2.47 -0.28 3.54 0.52 -1.26 -5.08 118.95 119.03 2h1i s ARG 133 Ca -0.00 -1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 54.05 2h1i s ARG 133 Cb -0.02 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.09 2h1i s ARG 133 CO 0.00 0.43 0.27 0.41 0.02 0.00 0.00 175.30 176.44 2h1i n GLY 134 N -0.41 -0.70 2.96 -3.53 0.00 -1.26 -5.21 105.19 97.05 2h1i n GLY 134 Ca -0.09 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.86 1.89 0.63 1.61 2.00 -1.26 -5.30 119.66 116.37 2h1i s GLN 136 Ca 0.01 -0.63 -0.10 0.00 -2.00 0.00 0.00 55.36 52.63 2h1i s GLN 136 Cb -0.00 -2.16 -0.02 0.00 0.80 0.00 0.00 33.01 31.62 2h1i s GLN 136 CO 0.30 -0.37 1.02 -0.51 -0.50 0.00 0.00 175.29 175.23 2h1i s LEU 137 N 1.51 3.18 0.88 3.68 1.43 -1.26 -4.99 118.68 123.11 2h1i s LEU 137 Ca 0.01 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 2h1i s LEU 137 Cb -0.15 -4.25 0.12 0.00 0.03 0.00 0.00 46.19 41.94 2h1i s LEU 137 CO -0.09 -0.97 1.11 0.00 0.23 0.00 0.00 176.35 176.63 2h1i s ALA 138 N -3.19 1.58 -0.24 4.21 0.00 -0.46 -4.99 121.76 118.68 2h1i s ALA 138 Ca 0.55 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 2h1i s ALA 138 Cb -0.11 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2h1i s ALA 138 CO 0.52 -2.44 0.82 1.21 0.00 0.00 0.00 175.76 175.87 2h1i s ASN 139 N -3.04 6.83 -0.25 0.00 2.47 -1.26 -4.80 114.94 114.89 2h1i s ASN 139 Ca 0.64 1.04 0.12 0.00 0.42 0.00 0.00 52.86 55.08 2h1i s ASN 139 Cb -0.20 -2.43 0.51 0.00 -1.45 0.00 0.00 41.25 37.68 2h1i s ASN 139 CO 0.58 -0.50 1.45 0.18 -3.72 0.00 0.00 177.10 175.09 2h1i n LEU 140 N 5.93 4.06 -4.63 3.21 4.77 0.33 -4.75 117.00 125.93 2h1i n LEU 140 Ca 0.05 -3.46 -0.46 0.00 -0.03 0.00 0.00 56.01 52.11 2h1i n LEU 140 Cb 0.48 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2h1i n LEU 140 CO 0.47 1.01 0.89 0.00 -1.33 0.00 0.00 177.39 178.44 2h1i n ALA 141 N -0.91 0.37 -0.97 -1.18 0.00 -1.25 -1.34 120.51 115.23 2h1i n ALA 141 Ca 0.29 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.16 2h1i n ALA 141 Cb 0.99 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 2.08 0.38 3.90 0.00 0.00 -1.26 -4.99 105.19 105.29 2h1i n GLY 142 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.63 3.48 -0.15 1.61 -0.14 -0.45 -5.00 119.74 118.46 2h1i s LYS 143 Ca 0.00 -0.24 -0.01 0.00 -1.36 0.00 0.00 55.97 54.36 2h1i s LYS 143 Cb 0.00 -3.09 -0.01 0.00 -1.68 0.00 0.00 37.83 33.04 2h1i s LYS 143 CO 0.00 0.67 -0.11 -1.12 -0.76 0.00 0.00 175.35 174.03 2h1i s SER 144 N -1.83 4.08 -0.05 2.83 0.01 -1.17 -1.41 113.70 116.17 2h1i s SER 144 Ca 0.27 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.23 2h1i s SER 144 Cb -0.13 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.47 2h1i s SER 144 CO 0.17 0.13 -0.12 -0.69 0.41 0.00 0.00 173.24 173.15 2h1i s VAL 145 N 0.54 1.07 -0.22 3.43 1.01 -0.95 -1.66 120.40 123.62 2h1i s VAL 145 Ca -0.08 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2h1i s VAL 145 Cb -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2h1i s VAL 145 CO 0.04 0.33 -0.12 0.12 0.00 0.00 0.00 175.10 175.46 2h1i s PHE 146 N 0.36 2.97 -0.18 5.22 5.36 0.04 -0.72 117.98 131.02 2h1i s PHE 146 Ca -0.08 -1.64 -0.07 0.00 -0.96 0.00 0.00 56.93 54.18 2h1i s PHE 146 Cb -0.12 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 2h1i s PHE 146 CO 0.02 -0.76 0.06 0.42 -1.46 0.00 0.00 175.22 173.49 2h1i s ILE 147 N 1.30 4.72 -0.26 3.12 1.01 0.01 -0.48 121.20 130.61 2h1i s ILE 147 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 2h1i s ILE 147 Cb -0.15 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.22 2h1i s ILE 147 CO -0.08 0.46 -0.05 0.00 0.00 0.00 0.00 174.94 175.28 2h1i s ALA 148 N 0.39 2.73 0.18 9.38 0.00 -0.01 -0.77 121.76 133.65 2h1i s ALA 148 Ca 0.03 -1.56 0.11 0.00 0.00 0.00 0.00 51.96 50.54 2h1i s ALA 148 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 2h1i s ALA 148 CO 0.00 -0.96 -0.24 0.00 0.00 0.00 0.00 175.76 174.57 2h1i s ALA 149 N 1.30 2.53 0.11 0.00 0.00 -0.87 0.18 121.76 125.00 2h1i s ALA 149 Ca -0.02 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.40 2h1i s ALA 149 Cb -0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2h1i s ALA 149 CO -0.04 0.46 -0.00 0.20 0.00 0.00 0.00 175.76 176.38 2h1i s GLY 150 N -2.55 1.87 0.43 0.00 0.00 -1.26 -1.64 107.32 104.16 2h1i s GLY 150 Ca 0.20 -1.18 0.07 0.00 0.00 0.00 0.00 44.72 43.81 2h1i s GLY 150 CO 0.09 -1.16 0.18 -0.51 0.00 0.00 0.00 173.10 171.70 2h1i s THR 151 N -1.40 2.20 -1.43 0.90 -4.23 0.30 -4.66 115.64 107.32 2h1i s THR 151 Ca 0.26 -1.70 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 2h1i s THR 151 Cb -0.11 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 70.85 2h1i s THR 151 CO 0.18 0.00 1.01 0.59 -0.54 0.00 0.00 174.62 175.87 2h1i n ASN 152 N -1.27 -6.12 -4.06 3.99 3.02 -1.26 -2.00 115.26 107.56 2h1i n ASN 152 Ca -0.02 -0.50 -0.32 0.00 -0.03 0.00 0.00 54.58 53.71 2h1i n ASN 152 Cb 0.65 -4.86 -0.15 0.00 -0.61 0.00 0.00 39.78 34.81 2h1i n ASN 152 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2h1i s ASP 153 N -3.16 4.01 0.52 6.41 -1.08 -1.26 -3.48 116.67 118.63 2h1i s ASP 153 Ca 0.53 -1.17 0.17 0.00 -0.52 0.00 0.00 52.55 51.56 2h1i s ASP 153 Cb -0.24 -1.46 1.31 0.00 -1.46 0.00 0.00 42.92 41.07 2h1i s ASP 153 CO 0.65 -0.15 2.15 1.55 0.52 0.00 0.00 175.17 179.89 2h1i h PRO 154 N 7.85 0.00 0.05 4.34 0.13 -1.94 -3.18 132.00 139.25 2h1i h PRO 154 Ca -0.25 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.56 2h1i h PRO 154 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2h1i h PRO 154 CO 0.49 0.01 -1.80 -0.89 -0.23 0.00 0.00 178.00 175.58 2h1i n ILE 155 N -4.47 1.63 -3.57 -3.56 -0.00 -1.26 -4.99 119.36 103.14 2h1i n ILE 155 Ca -0.03 -0.36 -0.37 0.00 -0.00 0.00 0.00 62.75 61.99 2h1i n ILE 155 Cb 0.10 -1.85 -0.06 0.00 -0.00 0.00 0.00 39.64 37.83 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 -1.30 5.06 0.23 0.00 1.04 -1.26 -4.65 113.70 112.81 2h1i s SER 157 Ca 0.26 0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.72 2h1i s SER 157 Cb -0.15 -1.43 0.22 0.00 0.10 0.00 0.00 66.02 64.75 2h1i s SER 157 CO 0.14 0.35 1.71 0.28 0.98 0.00 0.00 173.24 176.70 2h1i h SER 158 N 5.35 0.89 -0.82 7.02 0.02 -1.97 -2.68 113.55 121.36 2h1i h SER 158 Ca -0.48 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.22 2h1i h SER 158 Cb 1.19 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 2h1i h SER 158 CO 0.55 0.95 0.45 0.00 -1.14 0.00 0.00 176.83 177.64 2h1i h ALA 159 N 1.14 1.23 -0.68 3.77 0.00 -1.99 -1.45 119.26 121.28 2h1i h ALA 159 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2h1i h ALA 159 Cb 0.51 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2h1i h ALA 159 CO 0.03 0.62 0.38 1.49 0.00 0.00 0.00 179.25 181.77 2h1i h GLU 160 N 1.16 0.69 -0.25 0.00 4.57 -1.91 -1.52 114.58 117.32 2h1i h GLU 160 Ca 0.29 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 58.23 2h1i h GLU 160 Cb 0.03 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 2h1i h GLU 160 CO -0.05 0.45 -0.61 0.77 -1.18 0.00 0.00 179.01 178.40 2h1i h SER 161 N 0.71 0.96 -0.05 1.04 0.02 -1.15 -2.64 113.55 112.43 2h1i h SER 161 Ca 0.31 -0.54 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 2h1i h SER 161 Cb 0.19 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2h1i h SER 161 CO -0.18 1.34 -0.18 -0.33 -1.14 0.00 0.00 176.83 176.34 2h1i h GLU 162 N 0.63 0.42 -0.63 3.45 5.08 -1.11 -1.29 114.58 121.13 2h1i h GLU 162 Ca -0.00 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2h1i h GLU 162 Cb 1.22 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2h1i h GLU 162 CO 0.13 0.59 0.15 1.49 -1.00 0.00 0.00 179.01 180.38 2h1i h GLU 163 N 0.38 1.02 -0.55 2.33 4.81 -1.23 -0.41 114.58 120.93 2h1i h GLU 163 Ca 0.07 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2h1i h GLU 163 Cb 0.54 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2h1i h GLU 163 CO 0.04 0.92 0.35 1.25 -0.73 0.00 0.00 179.01 180.84 2h1i h LEU 164 N 0.94 0.65 -0.55 1.64 5.85 -1.06 0.51 115.31 123.29 2h1i h LEU 164 Ca 0.20 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.97 2h1i h LEU 164 Cb 0.36 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2h1i h LEU 164 CO 0.00 0.49 0.16 0.50 -0.34 0.00 0.00 178.44 179.25 2h1i h LYS 165 N 0.74 0.31 -0.41 1.25 3.64 -0.89 -1.05 116.57 120.16 2h1i h LYS 165 Ca 0.20 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2h1i h LYS 165 Cb -0.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2h1i h LYS 165 CO -0.04 0.20 -0.20 0.28 -2.27 0.00 0.00 179.45 177.42 2h1i h VAL 166 N 0.31 1.28 -0.31 2.00 2.07 -0.40 -1.43 116.25 119.77 2h1i h VAL 166 Ca 0.27 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.50 2h1i h VAL 166 Cb 0.35 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2h1i h VAL 166 CO -0.32 0.45 0.01 -0.07 0.02 0.00 0.00 177.57 177.67 2h1i h LEU 167 N 0.67 -0.10 -1.10 2.57 3.38 -0.44 -2.01 115.31 118.29 2h1i h LEU 167 Ca 0.09 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2h1i h LEU 167 Cb 0.76 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2h1i h LEU 167 CO 0.06 -0.01 -0.05 -0.07 0.09 0.00 0.00 178.44 178.46 2h1i h LEU 168 N 0.10 0.55 -0.14 1.67 3.38 -1.01 -2.61 115.31 117.26 2h1i h LEU 168 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2h1i h LEU 168 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2h1i h LEU 168 CO -0.24 0.65 0.01 -0.33 0.09 0.00 0.00 178.44 178.63 2h1i h GLU 169 N 0.54 0.24 0.00 1.13 5.08 -0.84 -2.11 114.58 118.62 2h1i h GLU 169 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2h1i h GLU 169 Cb 0.42 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2h1i h GLU 169 CO 0.02 0.45 0.00 -0.91 -1.00 0.00 0.00 179.01 177.57 2h1i h ASN 170 N -0.01 0.00 1.03 1.42 2.35 -1.35 0.57 115.58 119.59 2h1i h ASN 170 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2h1i h ASN 170 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2h1i h ASN 170 CO 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 2h1i n ALA 171 N -2.05 2.06 -0.16 -0.83 0.00 -0.99 -4.93 120.51 113.62 2h1i n ALA 171 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2h1i n ALA 171 Cb 0.21 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.92 -0.43 -4.80 0.00 3.02 0.20 -0.51 115.26 110.81 2h1i n ASN 172 Ca 0.05 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.26 2h1i n ASN 172 Cb 0.32 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 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 -2.03 2.93 -0.91 5.41 0.00 -0.83 -3.85 121.76 122.49 2h1i s ALA 173 Ca 0.00 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.28 2h1i s ALA 173 Cb 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.96 2h1i s ALA 173 CO 0.00 -0.17 1.31 -0.80 0.00 0.00 0.00 175.76 176.10 2h1i s ASN 174 N -2.02 6.42 -0.11 0.00 0.01 -0.50 -4.52 114.94 114.21 2h1i s ASN 174 Ca 0.65 -1.30 -0.16 0.00 -0.71 0.00 0.00 52.86 51.34 2h1i s ASN 174 Cb -0.14 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 2h1i s ASN 174 CO 0.18 -1.50 0.41 -0.69 -1.51 0.00 0.00 177.10 173.99 2h1i s VAL 175 N 4.65 5.20 0.00 1.60 1.01 -1.26 -2.24 120.40 129.37 2h1i s VAL 175 Ca 0.39 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2h1i s VAL 175 Cb -0.04 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2h1i s VAL 175 CO -0.03 0.39 0.00 0.41 0.00 0.00 0.00 175.10 175.87 2h1i n THR 176 N 3.35 0.00 0.00 3.92 -1.04 0.10 -4.99 114.28 115.62 2h1i n THR 176 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2h1i n THR 176 Cb 0.52 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.34 0.00 -4.23 -1.42 -0.00 0.05 -0.81 115.22 108.47 2h1i n HIS 178 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 2h1i n HIS 178 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 2h1i n HIS 178 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2h1i s TRP 179 N 0.00 3.12 0.22 1.57 0.52 -1.26 -2.05 118.94 121.05 2h1i s TRP 179 Ca 0.00 0.10 0.09 0.00 0.02 0.00 0.00 56.10 56.31 2h1i s TRP 179 Cb 0.00 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.60 2h1i s TRP 179 CO 0.00 0.48 -0.15 -1.21 0.02 0.00 0.00 176.95 176.09 2h1i s GLU 180 N -1.65 1.40 -0.21 4.98 0.41 -0.65 -4.97 118.70 118.01 2h1i s GLU 180 Ca 0.21 -1.63 0.11 0.00 -0.41 0.00 0.00 54.97 53.25 2h1i s GLU 180 Cb -0.12 -1.25 0.42 0.00 -1.78 0.00 0.00 34.13 31.40 2h1i s GLU 180 CO 0.12 0.21 1.23 0.27 -0.49 0.00 0.00 175.26 176.60 2h1i n ASN 181 N -0.43 1.82 -0.97 -0.19 2.04 -1.26 -0.54 115.26 115.73 2h1i n ASN 181 Ca -0.07 -3.83 0.01 0.00 -0.44 0.00 0.00 54.58 50.24 2h1i n ASN 181 Cb 0.60 -0.53 0.21 0.00 -2.53 0.00 0.00 39.78 37.53 2h1i n ASN 181 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2h1i n ARG 182 N -1.14 2.04 0.00 -3.83 5.12 -1.24 -4.67 116.66 112.93 2h1i n ARG 182 Ca 0.20 -3.06 0.00 0.00 -1.93 0.00 0.00 57.85 53.06 2h1i n ARG 182 Cb 0.71 -1.79 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 2h1i n ARG 182 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2h1i n GLY 183 N -1.00 -1.15 0.11 -0.13 0.00 -0.85 -4.36 105.19 97.81 2h1i n GLY 183 Ca 0.28 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 45.03 2h1i n GLY 183 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2h1i h HIS 184 N 0.00 0.00 -4.21 1.61 -0.00 -1.87 -3.43 115.15 107.25 2h1i h HIS 184 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 60.37 59.87 2h1i h HIS 184 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 27.41 27.56 2h1i h HIS 184 CO 0.00 0.00 0.28 -0.65 -0.00 0.00 0.00 177.93 177.56 2h1i s GLN 185 N -3.18 1.69 0.14 5.26 -1.52 -1.26 -4.97 119.66 115.82 2h1i s GLN 185 Ca 0.07 1.12 -0.30 0.00 -1.95 0.00 0.00 55.36 54.29 2h1i s GLN 185 Cb 0.11 -1.84 -0.07 0.00 -0.22 0.00 0.00 33.01 30.99 2h1i s GLN 185 CO 0.68 -2.02 1.13 -0.51 -0.25 0.00 0.00 175.29 174.32 2h1i s LEU 186 N -6.15 4.45 0.00 2.90 1.43 -1.26 -4.99 118.68 115.06 2h1i s LEU 186 Ca 0.63 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2h1i s LEU 186 Cb -0.18 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2h1i s LEU 186 CO 0.57 -0.31 0.00 0.41 0.23 0.00 0.00 176.35 177.25 2h1i n THR 187 N 2.86 0.00 0.00 5.49 -1.04 -1.26 -5.07 114.28 115.26 2h1i n THR 187 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2h1i n THR 187 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2h1i n THR 187 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2h1i n GLY 189 N 5.00 0.00 0.31 3.41 0.00 -1.26 -3.04 105.19 109.61 2h1i n GLY 189 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.31 -0.31 1.61 4.81 -1.97 -0.97 114.58 117.44 2h1i h GLU 190 Ca 0.00 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 2h1i h GLU 190 Cb 0.00 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2h1i h GLU 190 CO 0.00 -0.21 -0.51 0.28 -0.73 0.00 0.00 179.01 177.84 2h1i h VAL 191 N -0.32 1.27 -0.65 0.32 2.07 -1.97 -0.57 116.25 116.40 2h1i h VAL 191 Ca 0.12 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 2h1i h VAL 191 Cb 0.51 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2h1i h VAL 191 CO -0.38 0.56 0.13 -0.33 0.02 0.00 0.00 177.57 177.56 2h1i h GLU 192 N 0.69 1.06 -0.69 1.57 5.08 -1.86 0.33 114.58 120.76 2h1i h GLU 192 Ca 0.02 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2h1i h GLU 192 Cb 1.12 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2h1i h GLU 192 CO 0.12 0.97 0.12 0.87 -1.00 0.00 0.00 179.01 180.09 2h1i h LYS 193 N 0.98 1.13 -0.10 2.33 1.79 -1.13 -2.20 116.57 119.37 2h1i h LYS 193 Ca 0.20 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2h1i h LYS 193 Cb 0.41 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2h1i h LYS 193 CO 0.01 1.02 0.05 0.00 -1.08 0.00 0.00 179.45 179.45 2h1i h ALA 194 N 1.06 0.13 -0.65 3.86 0.00 -0.73 -1.11 119.26 121.83 2h1i h ALA 194 Ca 0.21 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2h1i h ALA 194 Cb 0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2h1i h ALA 194 CO 0.01 -0.32 0.31 -0.22 0.00 0.00 0.00 179.25 179.04 2h1i h LYS 195 N 0.05 0.54 -0.42 0.00 3.64 -0.87 0.25 116.57 119.77 2h1i h LYS 195 Ca 0.04 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2h1i h LYS 195 Cb 0.11 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2h1i h LYS 195 CO -0.00 0.35 -0.11 1.49 -2.27 0.00 0.00 179.45 178.91 2h1i h GLU 196 N 0.55 0.75 -0.19 1.90 4.81 -1.25 -0.43 114.58 120.72 2h1i h GLU 196 Ca 0.31 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2h1i h GLU 196 Cb 0.31 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2h1i h GLU 196 CO -0.25 0.83 0.01 2.35 -0.73 0.00 0.00 179.01 181.22 2h1i h TRP 197 N 0.68 0.35 -0.71 0.92 7.01 -0.63 -3.11 115.95 120.47 2h1i h TRP 197 Ca 0.12 -0.06 0.12 0.00 2.11 0.00 0.00 58.89 61.18 2h1i h TRP 197 Cb 0.58 -0.09 -0.09 0.00 -2.10 0.00 0.00 29.16 27.46 2h1i h TRP 197 CO 0.03 0.51 0.28 -0.92 -2.79 0.00 0.00 178.44 175.55 2h1i h TYR 198 N 0.09 0.47 0.00 2.65 3.20 0.07 -1.01 116.97 122.44 2h1i h TYR 198 Ca 0.05 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2h1i h TYR 198 Cb 0.37 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2h1i h TYR 198 CO 0.03 0.08 -0.19 -0.44 -1.64 0.00 0.00 178.16 176.00 2h1i h ASP 199 N 0.44 0.00 0.16 -2.11 3.32 -1.04 -2.38 116.42 114.80 2h1i h ASP 199 Ca 0.38 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.16 2h1i h ASP 199 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.10 2h1i h ASP 199 CO -0.37 0.19 -1.25 0.11 -1.72 0.00 0.00 179.24 176.20 2h1i h LYS 200 N 0.00 0.33 0.00 3.56 1.57 -1.30 -3.38 116.57 117.35 2h1i h LYS 200 Ca -0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2h1i h LYS 200 Cb 0.43 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2h1i h LYS 200 CO 0.02 1.27 0.00 0.00 -0.57 0.00 0.00 179.45 180.18 2h1i h ALA 201 N 0.05 1.00 0.00 3.86 0.00 -1.07 -3.52 119.26 119.58 2h1i h ALA 201 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2h1i h ALA 201 Cb 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2h1i h ALA 201 CO 0.14 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.58