#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0u h GLU 12 N 0.00 0.82 -0.03 -0.72 4.81 -1.95 -3.24 114.58 114.27 3h0u h GLU 12 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3h0u h GLU 12 Cb 0.00 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3h0u h GLU 12 CO 0.00 0.55 0.00 0.25 -0.73 0.00 0.00 179.01 179.08 3h0u n THR 13 N -4.71 0.19 -3.76 0.32 -2.24 -1.26 -4.85 114.28 97.97 3h0u n THR 13 Ca 0.16 -0.59 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 3h0u n THR 13 Cb 0.32 0.97 -0.17 0.00 -2.10 0.00 0.00 70.33 69.35 3h0u n THR 13 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3h0u s ILE 14 N -0.45 0.43 -0.21 2.28 1.01 -1.23 -0.86 121.20 122.17 3h0u s ILE 14 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 3h0u s ILE 14 Cb 0.03 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 3h0u s ILE 14 CO 0.05 0.10 0.24 -0.54 0.00 0.00 0.00 174.94 174.79 3h0u s LYS 15 N 1.93 4.14 -0.08 2.79 -0.14 -0.07 -2.69 119.74 125.61 3h0u s LYS 15 Ca 0.03 -0.09 0.04 0.00 -1.36 0.00 0.00 55.97 54.60 3h0u s LYS 15 Cb -0.14 -3.51 -0.01 0.00 -1.68 0.00 0.00 37.83 32.49 3h0u s LYS 15 CO -0.06 0.09 -0.22 0.00 -0.76 0.00 0.00 175.35 174.40 3h0u s ALA 16 N 0.96 2.29 -0.06 5.17 0.00 -1.26 -0.39 121.76 128.48 3h0u s ALA 16 Ca 0.12 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3h0u s ALA 16 Cb -0.13 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.17 3h0u s ALA 16 CO 0.04 0.36 -0.06 1.03 0.00 0.00 0.00 175.76 177.13 3h0u s ARG 17 N 0.04 1.11 -0.29 0.00 1.81 -0.41 -4.99 118.95 116.22 3h0u s ARG 17 Ca -0.08 -0.17 -0.08 0.00 -1.72 0.00 0.00 55.73 53.68 3h0u s ARG 17 Cb -0.15 -1.11 -0.01 0.00 -0.45 0.00 0.00 34.95 33.23 3h0u s ARG 17 CO 0.05 -0.12 0.09 -1.17 -0.68 0.00 0.00 175.30 173.48 3h0u s LEU 18 N 1.15 3.79 -0.57 2.53 2.96 -1.26 -0.40 118.68 126.88 3h0u s LEU 18 Ca -0.07 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.32 3h0u s LEU 18 Cb -0.14 -1.92 0.15 0.00 0.50 0.00 0.00 46.19 44.77 3h0u s LEU 18 CO -0.01 -0.15 0.36 1.51 -1.32 0.00 0.00 176.35 176.74 3h0u s ASP 19 N 1.56 4.97 1.24 3.68 -4.77 -0.08 -5.00 116.67 118.27 3h0u s ASP 19 Ca 0.04 -2.81 0.00 0.00 -3.30 0.00 0.00 52.55 46.48 3h0u s ASP 19 Cb -0.16 -1.78 0.00 0.00 -1.09 0.00 0.00 42.92 39.88 3h0u s ASP 19 CO 0.04 -0.34 0.00 0.61 0.70 0.00 0.00 175.17 176.17 3h0u n GLY 20 N 3.50 2.47 1.32 2.12 0.00 -1.26 -2.27 105.19 111.07 3h0u n GLY 20 Ca 0.06 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.89 3h0u n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3h0u n THR 21 N 0.00 2.22 -4.03 2.61 5.66 -1.26 -4.89 114.28 114.58 3h0u n THR 21 Ca 0.00 -1.51 -0.33 0.00 -3.05 0.00 0.00 64.05 59.16 3h0u n THR 21 Cb 0.00 -0.11 -0.15 0.00 -1.55 0.00 0.00 70.33 68.52 3h0u n THR 21 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3h0u s VAL 22 N -2.43 2.47 -0.09 1.08 1.01 -0.96 -2.07 120.40 119.42 3h0u s VAL 22 Ca 0.46 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 3h0u s VAL 22 Cb 0.34 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3h0u s VAL 22 CO 0.15 0.20 0.52 -0.22 0.00 0.00 0.00 175.10 175.75 3h0u s LEU 23 N 1.25 4.31 -0.33 3.92 2.96 -0.35 -0.90 118.68 129.54 3h0u s LEU 23 Ca -0.02 0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 54.72 3h0u s LEU 23 Cb -0.17 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.75 3h0u s LEU 23 CO -0.07 0.02 0.16 -0.44 -1.32 0.00 0.00 176.35 174.70 3h0u s SER 24 N 0.44 5.56 -0.26 3.68 0.01 0.47 -0.57 113.70 123.04 3h0u s SER 24 Ca 0.28 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 56.81 3h0u s SER 24 Cb -0.16 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.08 3h0u s SER 24 CO 0.12 -0.25 0.01 0.00 0.41 0.00 0.00 173.24 173.54 3h0u s ALA 25 N 1.58 2.92 -0.23 1.44 0.00 -0.02 -1.29 121.76 126.17 3h0u s ALA 25 Ca 0.04 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 3h0u s ALA 25 Cb -0.18 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 3h0u s ALA 25 CO 0.06 -0.74 -0.02 0.99 0.00 0.00 0.00 175.76 176.05 3h0u s THR 26 N 1.46 3.55 -0.10 0.00 2.01 0.48 -1.92 115.64 121.12 3h0u s THR 26 Ca 0.03 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.27 3h0u s THR 26 Cb -0.16 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 3h0u s THR 26 CO -0.01 0.38 1.34 -0.36 -0.69 0.00 0.00 174.62 175.28 3h0u s PHE 27 N 1.50 2.75 -0.37 4.92 0.08 -0.21 -0.89 117.98 125.76 3h0u s PHE 27 Ca 0.05 0.87 0.01 0.00 0.12 0.00 0.00 56.93 57.99 3h0u s PHE 27 Cb -0.15 -3.59 0.15 0.00 -0.57 0.00 0.00 43.02 38.87 3h0u s PHE 27 CO -0.02 -2.13 0.25 1.21 -0.10 0.00 0.00 175.22 174.44 3h0u s ASN 28 N 2.12 2.45 -0.55 1.36 3.04 -0.04 -1.11 114.94 122.21 3h0u s ASN 28 Ca 0.59 -2.40 0.06 0.00 0.04 0.00 0.00 52.86 51.16 3h0u s ASN 28 Cb -0.26 -0.36 0.24 0.00 -1.54 0.00 0.00 41.25 39.33 3h0u s ASN 28 CO 0.20 -0.27 0.62 0.00 -3.04 0.00 0.00 177.10 174.61 3h0u n ALA 29 N 3.73 3.37 -1.06 1.71 0.00 -1.26 -4.32 120.51 122.67 3h0u n ALA 29 Ca 0.17 -4.17 -0.33 0.00 0.00 0.00 0.00 53.44 49.10 3h0u n ALA 29 Cb 0.40 -0.87 0.13 0.00 0.00 0.00 0.00 19.45 19.11 3h0u n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3h0u n PRO 30 N 1.29 0.11 0.13 0.00 -0.04 -1.26 -0.91 135.00 134.32 3h0u n PRO 30 Ca 0.26 0.11 0.01 0.00 -0.04 0.00 0.00 63.50 63.84 3h0u n PRO 30 Cb 0.45 -2.38 0.07 0.00 -0.04 0.00 0.00 33.50 31.60 3h0u n PRO 30 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3h0u h PRO 31 N -1.00 0.00 0.00 0.54 0.11 -1.99 -3.44 132.00 126.22 3h0u h PRO 31 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3h0u h PRO 31 Cb 1.30 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.30 3h0u h PRO 31 CO 0.45 0.60 -0.50 0.00 -0.21 0.00 0.00 178.00 178.33 3h0u n MET 32 N -3.35 0.00 -2.45 1.05 0.00 -1.22 -5.03 117.12 106.12 3h0u n MET 32 Ca 0.01 -1.04 -0.20 0.00 0.00 0.00 0.00 57.70 56.47 3h0u n MET 32 Cb 0.73 -0.15 -0.00 0.00 0.00 0.00 0.00 33.22 33.79 3h0u n MET 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3h0u n ASN 33 N 0.12 -5.69 -4.67 3.17 4.13 -0.08 -4.34 115.26 107.90 3h0u n ASN 33 Ca -0.02 -0.05 -0.41 0.00 1.68 0.00 0.00 54.58 55.78 3h0u n ASN 33 Cb 0.77 -4.70 0.02 0.00 -1.54 0.00 0.00 39.78 34.33 3h0u n ASN 33 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3h0u n LEU 34 N -2.95 3.62 -4.55 3.41 4.77 -1.26 -3.95 117.00 116.08 3h0u n LEU 34 Ca -0.22 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.41 3h0u n LEU 34 Cb 0.67 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 3h0u n LEU 34 CO 0.29 -0.99 1.20 -0.63 -1.33 0.00 0.00 177.39 175.93 3h0u s ILE 35 N -1.24 3.71 0.00 -0.08 1.01 -0.70 -4.82 121.20 119.07 3h0u s ILE 35 Ca 0.63 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.65 3h0u s ILE 35 Cb -0.52 -4.88 0.00 0.00 0.01 0.00 0.00 42.46 37.08 3h0u s ILE 35 CO 0.56 -1.82 0.00 0.61 0.00 0.00 0.00 174.94 174.30 3h0u n GLY 36 N 5.44 4.30 0.29 6.18 0.00 -1.26 -0.75 105.19 119.39 3h0u n GLY 36 Ca 0.05 -2.17 0.03 0.00 0.00 0.00 0.00 46.02 43.93 3h0u n GLY 36 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h0u h PRO 37 N 0.00 0.46 -0.14 1.61 0.11 -1.86 -1.74 132.00 130.44 3h0u h PRO 37 Ca 0.00 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 3h0u h PRO 37 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3h0u h PRO 37 CO 0.00 0.36 -0.26 0.93 -0.21 0.00 0.00 178.00 178.82 3h0u h GLU 38 N 0.46 0.42 -0.37 1.05 3.07 -1.96 0.12 114.58 117.37 3h0u h GLU 38 Ca 0.12 -0.27 0.05 0.00 -0.50 0.00 0.00 59.36 58.76 3h0u h GLU 38 Cb 0.06 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.96 3h0u h GLU 38 CO -0.02 0.87 0.12 0.28 -1.40 0.00 0.00 179.01 178.86 3h0u h VAL 39 N 0.02 0.87 -0.11 3.13 2.07 -1.84 -0.76 116.25 119.63 3h0u h VAL 39 Ca 0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3h0u h VAL 39 Cb 0.85 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3h0u h VAL 39 CO 0.06 0.05 0.04 0.58 0.02 0.00 0.00 177.57 178.32 3h0u h VAL 40 N 0.26 1.14 -0.57 2.57 2.07 -1.20 -0.59 116.25 119.93 3h0u h VAL 40 Ca 0.17 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.37 3h0u h VAL 40 Cb 0.16 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 3h0u h VAL 40 CO -0.19 0.13 0.12 -0.09 0.02 0.00 0.00 177.57 177.55 3h0u h ARG 41 N 0.02 0.24 -0.25 1.57 2.43 -0.61 0.47 114.38 118.26 3h0u h ARG 41 Ca 0.04 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 3h0u h ARG 41 Cb 0.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3h0u h ARG 41 CO -0.00 0.16 -0.47 -0.44 -1.51 0.00 0.00 179.97 177.71 3h0u h ASP 42 N 0.25 0.71 -0.52 -3.80 3.32 -0.98 -1.69 116.42 113.70 3h0u h ASP 42 Ca 0.29 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3h0u h ASP 42 Cb 0.42 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3h0u h ASP 42 CO -0.38 1.06 0.26 0.25 -1.72 0.00 0.00 179.24 178.71 3h0u h LEU 43 N 0.52 0.68 -0.49 1.55 5.85 -0.60 0.07 115.31 122.90 3h0u h LEU 43 Ca 0.03 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3h0u h LEU 43 Cb 1.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 3h0u h LEU 43 CO 0.09 0.61 0.20 0.58 -0.34 0.00 0.00 178.44 179.59 3h0u h VAL 44 N 0.70 0.88 -0.66 1.05 2.07 -0.68 -0.01 116.25 119.61 3h0u h VAL 44 Ca 0.18 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 3h0u h VAL 44 Cb 0.11 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3h0u h VAL 44 CO -0.02 0.07 0.15 0.00 0.02 0.00 0.00 177.57 177.79 3h0u h ALA 45 N 1.30 0.86 -0.44 1.67 0.00 -1.03 -2.35 119.26 119.28 3h0u h ALA 45 Ca 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h0u h ALA 45 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h0u h ALA 45 CO -0.20 0.59 0.17 1.25 0.00 0.00 0.00 179.25 181.05 3h0u h LEU 46 N 0.98 0.61 -1.28 0.00 5.85 -0.52 -2.18 115.31 118.77 3h0u h LEU 46 Ca 0.20 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3h0u h LEU 46 Cb 0.38 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3h0u h LEU 46 CO 0.00 0.62 0.32 -0.07 -0.34 0.00 0.00 178.44 178.98 3h0u h LEU 47 N 0.56 0.73 -0.59 2.25 3.38 -0.82 -1.01 115.31 119.81 3h0u h LEU 47 Ca 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3h0u h LEU 47 Cb 0.20 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3h0u h LEU 47 CO -0.01 0.59 0.30 -0.08 0.09 0.00 0.00 178.44 179.33 3h0u h GLU 48 N 0.83 0.83 -0.56 1.13 4.57 -1.06 -2.65 114.58 117.68 3h0u h GLU 48 Ca 0.21 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 3h0u h GLU 48 Cb 0.02 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3h0u h GLU 48 CO -0.03 0.66 0.06 0.93 -1.18 0.00 0.00 179.01 179.45 3h0u h GLU 49 N 0.80 0.91 0.00 1.92 5.08 -0.75 -2.92 114.58 119.62 3h0u h GLU 49 Ca 0.20 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h0u h GLU 49 Cb 0.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3h0u h GLU 49 CO -0.03 0.87 0.00 1.28 -1.00 0.00 0.00 179.01 180.13 3h0u n LEU 50 N -4.22 0.00 0.00 1.33 4.77 -0.45 -2.36 117.00 116.07 3h0u n LEU 50 Ca 0.03 0.24 0.13 0.00 -0.03 0.00 0.00 56.01 56.39 3h0u n LEU 50 Cb 0.28 -0.24 0.44 0.00 -2.33 0.00 0.00 43.42 41.57 3h0u n LEU 50 CO 0.42 -0.03 0.71 0.00 -1.33 0.00 0.00 177.39 177.16 3h0u n ALA 51 N -1.24 2.90 -1.77 -1.18 0.00 -1.04 -4.36 120.51 113.81 3h0u n ALA 51 Ca 0.14 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 3h0u n ALA 51 Cb 0.19 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 3h0u n ALA 51 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3h0u s HIS 52 N -3.01 2.99 0.44 0.00 -3.43 -0.99 -4.93 115.29 106.37 3h0u s HIS 52 Ca 0.12 1.42 0.20 0.00 -0.80 0.00 0.00 55.06 56.00 3h0u s HIS 52 Cb 0.18 -3.67 1.17 0.00 -1.43 0.00 0.00 32.58 28.82 3h0u s HIS 52 CO 0.61 -1.91 1.87 -1.35 -2.00 0.00 0.00 174.74 171.97 3h0u h PRO 53 N 3.20 0.31 -0.53 -0.38 0.11 -1.91 -1.30 132.00 131.50 3h0u h PRO 53 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h0u h PRO 53 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h0u h PRO 53 CO 0.65 0.20 0.00 -2.37 -0.21 0.00 0.00 178.00 176.27 3h0u n THR 54 N -4.46 1.90 -0.90 -1.15 5.66 -1.26 -5.00 114.28 109.06 3h0u n THR 54 Ca 0.19 -1.32 -0.31 0.00 -3.05 0.00 0.00 64.05 59.56 3h0u n THR 54 Cb 0.74 0.07 0.15 0.00 -1.55 0.00 0.00 70.33 69.74 3h0u n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h0u s ALA 55 N -2.00 1.52 0.32 1.79 0.00 -0.49 -4.95 121.76 117.95 3h0u s ALA 55 Ca 0.46 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.50 3h0u s ALA 55 Cb 0.31 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.95 3h0u s ALA 55 CO 0.20 -2.53 1.02 -2.30 0.00 0.00 0.00 175.76 172.15 3h0u n PRO 56 N -4.05 1.41 0.19 0.00 -0.02 -1.26 -4.89 135.00 126.37 3h0u n PRO 56 Ca 0.10 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 62.10 3h0u n PRO 56 Cb 0.53 -1.91 0.37 0.00 -0.02 0.00 0.00 33.50 32.47 3h0u n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h0u h ARG 57 N 1.94 0.00 -3.81 -0.52 3.08 -1.78 -3.43 114.38 109.86 3h0u h ARG 57 Ca -0.41 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.37 3h0u h ARG 57 Cb 1.34 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.09 3h0u h ARG 57 CO 0.60 0.36 -0.73 0.08 -1.07 0.00 0.00 179.97 179.21 3h0u s VAL 58 N -4.18 0.10 -0.07 2.04 1.01 -1.11 -0.87 120.40 117.31 3h0u s VAL 58 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3h0u s VAL 58 Cb 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.41 3h0u s VAL 58 CO 0.72 0.06 -0.17 0.54 0.00 0.00 0.00 175.10 176.25 3h0u s VAL 59 N 0.28 1.47 -0.23 2.92 0.11 0.44 -1.21 120.40 124.17 3h0u s VAL 59 Ca -0.02 -0.68 -0.09 0.00 -2.93 0.00 0.00 61.98 58.26 3h0u s VAL 59 Cb -0.04 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 3h0u s VAL 59 CO -0.01 0.43 0.11 -0.63 -3.33 0.00 0.00 175.10 171.67 3h0u s ILE 60 N 0.50 4.85 -0.17 7.04 1.01 0.27 -0.76 121.20 133.93 3h0u s ILE 60 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 3h0u s ILE 60 Cb -0.16 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3h0u s ILE 60 CO 0.05 0.36 0.08 -0.36 0.00 0.00 0.00 174.94 175.07 3h0u s PHE 61 N 1.18 3.32 0.29 3.97 0.08 0.54 -0.84 117.98 126.53 3h0u s PHE 61 Ca 0.06 0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.33 3h0u s PHE 61 Cb -0.14 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 3h0u s PHE 61 CO 0.04 0.29 0.32 -0.40 -0.10 0.00 0.00 175.22 175.38 3h0u n ASP 62 N 3.18 -0.86 -4.21 1.36 5.75 -0.81 -1.15 116.55 119.81 3h0u n ASP 62 Ca -0.17 -2.76 -0.25 0.00 -0.01 0.00 0.00 54.79 51.60 3h0u n ASP 62 Cb 0.53 1.77 -0.15 0.00 -1.03 0.00 0.00 41.12 42.24 3h0u n ASP 62 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3h0u s SER 63 N -2.93 2.25 0.01 -1.12 0.15 -1.26 -1.04 113.70 109.76 3h0u s SER 63 Ca 0.30 -0.41 0.27 0.00 0.70 0.00 0.00 55.95 56.81 3h0u s SER 63 Cb 0.01 -0.22 0.93 0.00 -1.71 0.00 0.00 66.02 65.03 3h0u s SER 63 CO 0.21 0.19 1.72 0.00 1.20 0.00 0.00 173.24 176.56 3h0u n ALA 64 N 2.30 2.81 -1.82 5.45 0.00 -0.27 -4.89 120.51 124.09 3h0u n ALA 64 Ca -0.16 -0.20 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 3h0u n ALA 64 Cb 0.54 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 3h0u n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h0u s ASP 65 N -3.06 7.50 0.40 0.00 2.15 -1.26 -4.95 116.67 117.45 3h0u s ASP 65 Ca 0.13 1.84 0.09 0.00 0.43 0.00 0.00 52.55 55.03 3h0u s ASP 65 Cb 0.18 -2.57 0.84 0.00 -0.30 0.00 0.00 42.92 41.07 3h0u s ASP 65 CO 0.60 0.11 1.98 0.00 -0.17 0.00 0.00 175.17 177.69 3h0u h ALA 66 N 3.91 1.61 0.00 3.66 0.00 -1.97 -3.34 119.26 123.13 3h0u h ALA 66 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3h0u h ALA 66 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3h0u h ALA 66 CO 0.67 0.29 -0.64 -0.25 0.00 0.00 0.00 179.25 179.32 3h0u n ASP 67 N -4.37 3.20 -4.19 0.00 8.00 -1.26 -4.92 116.55 113.02 3h0u n ASP 67 Ca 0.00 -0.07 -0.19 0.00 0.71 0.00 0.00 54.79 55.24 3h0u n ASP 67 Cb 0.18 0.78 -0.12 0.00 -0.02 0.00 0.00 41.12 41.94 3h0u n ASP 67 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h0u s PHE 68 N -1.42 1.31 0.00 1.24 0.08 -1.25 -1.03 117.98 116.90 3h0u s PHE 68 Ca 0.00 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.59 3h0u s PHE 68 Cb 0.00 -0.73 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 3h0u s PHE 68 CO 0.00 0.08 0.00 0.34 -0.10 0.00 0.00 175.22 175.54 3h0u n PHE 69 N 1.22 0.00 -4.12 0.36 7.35 0.10 -4.18 117.46 118.19 3h0u n PHE 69 Ca -0.21 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.30 3h0u n PHE 69 Cb 0.54 -0.32 -0.16 0.00 0.35 0.00 0.00 39.48 39.90 3h0u n PHE 69 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3h0u s PHE 70 N -0.93 0.61 0.33 -5.13 0.08 -1.23 -4.84 117.98 106.87 3h0u s PHE 70 Ca 0.00 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 56.96 3h0u s PHE 70 Cb 0.00 -0.56 0.57 0.00 -0.57 0.00 0.00 43.02 42.46 3h0u s PHE 70 CO 0.00 -0.15 1.81 -1.35 -0.10 0.00 0.00 175.22 175.43 3h0u h PRO 71 N 7.06 0.39 0.00 0.24 0.11 -1.76 -2.77 132.00 135.28 3h0u h PRO 71 Ca -0.39 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h0u h PRO 71 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h0u h PRO 71 CO 0.48 0.56 0.00 -2.39 -0.21 0.00 0.00 178.00 176.44 3h0u n HIS 72 N -4.19 0.00 -2.07 0.65 1.44 -1.21 -3.69 115.22 106.15 3h0u n HIS 72 Ca -0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 3h0u n HIS 72 Cb 0.34 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.46 3h0u n HIS 72 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3h0u s VAL 73 N -2.06 3.63 -0.42 0.61 -7.23 -1.26 -1.72 120.40 111.94 3h0u s VAL 73 Ca 0.00 0.82 -0.28 0.00 -1.81 0.00 0.00 61.98 60.71 3h0u s VAL 73 Cb 0.00 -3.32 -0.01 0.00 0.56 0.00 0.00 36.38 33.61 3h0u s VAL 73 CO 0.00 -0.41 1.64 -0.62 -0.31 0.00 0.00 175.10 175.40 3h0u s ASP 74 N -2.54 5.97 0.00 4.85 -1.08 0.07 -4.74 116.67 119.20 3h0u s ASP 74 Ca 0.66 0.89 0.13 0.00 -0.52 0.00 0.00 52.55 53.71 3h0u s ASP 74 Cb -0.18 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.41 3h0u s ASP 74 CO 0.35 -1.72 1.35 0.23 0.52 0.00 0.00 175.17 175.90 3h0u n MET 75 N 8.45 0.17 0.00 4.34 2.81 -1.26 -1.57 117.12 130.07 3h0u n MET 75 Ca 0.19 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.37 3h0u n MET 75 Cb 0.48 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.65 3h0u n MET 75 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3h0u n THR 76 N -1.30 0.00 -2.40 2.03 -2.24 -1.26 -4.49 114.28 104.62 3h0u n THR 76 Ca 0.06 -0.40 0.02 0.00 -2.27 0.00 0.00 64.05 61.45 3h0u n THR 76 Cb 0.11 1.26 0.06 0.00 -2.10 0.00 0.00 70.33 69.66 3h0u n THR 76 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3h0u n LYS 77 N 0.85 0.88 -0.03 -0.78 5.02 -0.61 -4.92 118.16 118.57 3h0u n LYS 77 Ca 0.14 -2.69 -0.10 0.00 -2.02 0.00 0.00 58.31 53.63 3h0u n LYS 77 Cb 0.53 -0.77 -0.04 0.00 -0.02 0.00 0.00 35.03 34.73 3h0u n LYS 77 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3h0u h VAL 78 N 5.41 1.04 -0.88 -0.18 2.07 -1.78 -0.28 116.25 121.64 3h0u h VAL 78 Ca -0.13 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3h0u h VAL 78 Cb 1.59 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 3h0u h VAL 78 CO 0.15 0.04 0.50 -0.65 0.02 0.00 0.00 177.57 177.62 3h0u h PRO 79 N 0.22 1.22 -0.14 1.57 0.11 -1.94 -1.64 132.00 131.39 3h0u h PRO 79 Ca 0.06 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3h0u h PRO 79 Cb -0.02 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 3h0u h PRO 79 CO -0.02 0.88 0.01 0.93 -0.21 0.00 0.00 178.00 179.59 3h0u h GLU 80 N 1.22 0.24 -0.02 1.05 3.07 -1.83 -1.10 114.58 117.21 3h0u h GLU 80 Ca 0.31 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.98 3h0u h GLU 80 Cb 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3h0u h GLU 80 CO -0.05 0.45 -0.54 0.10 -1.40 0.00 0.00 179.01 177.56 3h0u h TYR 81 N 0.00 0.08 -0.58 4.33 -0.00 -1.03 -2.30 116.97 117.47 3h0u h TYR 81 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 58.73 58.72 3h0u h TYR 81 Cb 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 36.73 37.02 3h0u h TYR 81 CO 0.02 0.59 0.27 1.15 -0.00 0.00 0.00 178.16 180.19 3h0u h THR 82 N 0.05 1.21 -0.54 -0.90 2.02 -1.09 -0.80 112.91 112.86 3h0u h THR 82 Ca -0.00 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 3h0u h THR 82 Cb 0.97 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3h0u h THR 82 CO 0.07 0.25 0.12 0.00 0.37 0.00 0.00 175.52 176.33 3h0u h ALA 83 N 1.10 1.18 -0.45 6.16 0.00 -0.94 -1.27 119.26 125.05 3h0u h ALA 83 Ca 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3h0u h ALA 83 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3h0u h ALA 83 CO -0.02 0.55 0.07 0.93 0.00 0.00 0.00 179.25 180.78 3h0u h GLU 84 N 0.81 0.74 -0.60 0.00 4.39 -1.12 -3.03 114.58 115.77 3h0u h GLU 84 Ca 0.17 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3h0u h GLU 84 Cb 0.32 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3h0u h GLU 84 CO 0.00 0.76 0.39 0.00 -1.16 0.00 0.00 179.01 179.00 3h0u h ALA 85 N 0.95 1.56 -0.24 3.43 0.00 -0.59 -2.37 119.26 121.99 3h0u h ALA 85 Ca 0.14 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3h0u h ALA 85 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h0u h ALA 85 CO 0.01 0.40 0.17 0.00 0.00 0.00 0.00 179.25 179.84 3h0u h ALA 86 N 1.62 2.20 0.00 0.00 0.00 -1.12 -2.46 119.26 119.49 3h0u h ALA 86 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h0u h ALA 86 Cb -0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3h0u h ALA 86 CO -0.05 -0.26 0.00 0.87 0.00 0.00 0.00 179.25 179.81 3h0u h LYS 87 N 0.03 0.00 0.00 0.00 1.57 -1.48 -2.43 116.57 114.26 3h0u h LYS 87 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3h0u h LYS 87 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3h0u h LYS 87 CO -0.00 0.00 -0.21 0.00 -0.57 0.00 0.00 179.45 178.67 3h0u h ALA 88 N 2.18 0.86 -3.09 3.86 0.00 -1.62 -3.48 119.26 117.98 3h0u h ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h0u h ALA 88 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3h0u h ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h0u n GLY 89 N 1.30 6.53 0.00 0.00 0.00 -0.92 -5.06 105.19 107.05 3h0u n GLY 89 Ca 0.05 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3h0u n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h0u n GLY 90 N 3.20 4.59 3.72 -0.02 0.00 -1.26 -4.98 105.19 110.44 3h0u n GLY 90 Ca 0.00 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 3h0u n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h0u n PRO 91 N -0.18 2.60 -0.21 1.61 -0.02 -1.26 -1.73 135.00 135.82 3h0u n PRO 91 Ca 0.00 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3h0u n PRO 91 Cb 0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 3h0u n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h0u n GLY 92 N 2.91 0.92 1.44 -1.23 0.00 -1.26 -4.95 105.19 103.03 3h0u n GLY 92 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 3h0u n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h0u n ASP 93 N 0.00 4.71 -4.20 1.61 8.00 -0.71 -4.82 116.55 121.14 3h0u n ASP 93 Ca 0.00 -3.04 -0.43 0.00 0.71 0.00 0.00 54.79 52.03 3h0u n ASP 93 Cb 0.00 -0.63 -0.00 0.00 -0.02 0.00 0.00 41.12 40.47 3h0u n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h0u n ALA 94 N -0.04 4.44 -3.55 2.24 0.00 -1.26 -4.28 120.51 118.06 3h0u n ALA 94 Ca 0.27 -3.86 -0.16 0.00 0.00 0.00 0.00 53.44 49.69 3h0u n ALA 94 Cb 1.09 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 16.90 3h0u n ALA 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h0u s SER 95 N 3.78 -0.61 0.38 0.00 1.04 -1.26 -4.88 113.70 112.14 3h0u s SER 95 Ca 0.51 0.76 0.05 0.00 0.48 0.00 0.00 55.95 57.75 3h0u s SER 95 Cb 0.08 0.63 0.74 0.00 0.10 0.00 0.00 66.02 67.57 3h0u s SER 95 CO 0.00 -0.50 2.02 0.25 0.98 0.00 0.00 173.24 175.99 3h0u h LEU 96 N 3.22 0.59 -0.57 2.42 5.85 -1.87 -2.55 115.31 122.38 3h0u h LEU 96 Ca -0.26 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.50 3h0u h LEU 96 Cb 1.15 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 3h0u h LEU 96 CO 0.32 0.44 0.27 1.23 -0.34 0.00 0.00 178.44 180.37 3h0u h GLY 97 N 0.71 0.81 2.00 3.75 0.00 -1.80 0.03 103.07 108.58 3h0u h GLY 97 Ca 0.18 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 3h0u h GLY 97 CO -0.04 0.08 -0.62 -0.33 0.00 0.00 0.00 176.54 175.63 3h0u h MET 98 N 0.51 0.00 -0.58 4.80 2.86 -1.76 -1.04 114.93 119.71 3h0u h MET 98 Ca 0.27 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 3h0u h MET 98 Cb 0.23 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3h0u h MET 98 CO -0.21 0.62 0.24 1.25 1.06 0.00 0.00 176.91 179.87 3h0u h LEU 99 N 0.00 0.78 -1.18 1.22 5.85 -1.02 -2.05 115.31 118.91 3h0u h LEU 99 Ca -0.01 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 3h0u h LEU 99 Cb 1.11 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3h0u h LEU 99 CO 0.08 0.73 -0.35 -0.26 -0.34 0.00 0.00 178.44 178.30 3h0u h PHE 100 N 0.79 0.00 -0.54 1.25 0.04 -0.77 -1.26 116.94 116.45 3h0u h PHE 100 Ca 0.19 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.91 3h0u h PHE 100 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3h0u h PHE 100 CO 0.01 0.35 0.13 -0.09 -0.60 0.00 0.00 178.31 178.10 3h0u h ARG 101 N 0.00 0.87 -0.77 1.51 2.43 -0.91 -1.05 114.38 116.46 3h0u h ARG 101 Ca -0.00 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 3h0u h ARG 101 Cb 0.75 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 3h0u h ARG 101 CO 0.05 0.82 0.35 -0.22 -1.51 0.00 0.00 179.97 179.46 3h0u h LYS 102 N 0.76 1.11 -0.43 0.20 3.64 -0.78 -1.86 116.57 119.21 3h0u h LYS 102 Ca 0.17 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3h0u h LYS 102 Cb 0.35 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3h0u h LYS 102 CO 0.00 0.86 0.22 1.25 -2.27 0.00 0.00 179.45 179.51 3h0u h LEU 103 N 1.10 0.32 -1.65 5.20 5.85 -1.00 -2.32 115.31 122.81 3h0u h LEU 103 Ca 0.26 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3h0u h LEU 103 Cb 0.13 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3h0u h LEU 103 CO -0.03 0.23 0.05 0.28 -0.34 0.00 0.00 178.44 178.63 3h0u h SER 104 N 0.44 0.24 -0.23 1.25 0.02 -0.52 -2.56 113.55 112.19 3h0u h SER 104 Ca 0.18 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3h0u h SER 104 Cb 0.08 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3h0u h SER 104 CO -0.12 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.82 3h0u n GLN 105 N -4.43 1.98 -1.71 3.45 6.02 -0.76 -4.93 117.38 117.00 3h0u n GLN 105 Ca -0.00 -1.47 -0.41 0.00 -0.01 0.00 0.00 57.00 55.11 3h0u n GLN 105 Cb 0.14 -1.43 0.02 0.00 1.02 0.00 0.00 30.24 29.99 3h0u n GLN 105 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3h0u n LEU 106 N 0.70 4.24 0.16 1.08 7.94 -0.91 -4.91 117.00 125.30 3h0u n LEU 106 Ca 0.17 1.09 0.03 0.00 -1.11 0.00 0.00 56.01 56.19 3h0u n LEU 106 Cb 0.42 -1.51 0.40 0.00 0.53 0.00 0.00 43.42 43.26 3h0u n LEU 106 CO 0.14 -0.64 0.84 1.55 -1.11 0.00 0.00 177.39 178.17 3h0u h PRO 107 N 1.99 0.12 -6.78 1.96 0.13 -1.92 -3.43 132.00 124.08 3h0u h PRO 107 Ca -0.48 -0.03 -0.51 0.00 -0.87 0.00 0.00 66.00 64.10 3h0u h PRO 107 Cb 1.30 -0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.44 3h0u h PRO 107 CO 0.59 0.34 0.54 0.00 -0.23 0.00 0.00 178.00 179.24 3h0u s ALA 108 N -4.55 3.44 0.05 -0.56 0.00 -1.26 -4.64 121.76 114.24 3h0u s ALA 108 Ca -0.04 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 52.61 3h0u s ALA 108 Cb 0.15 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 3h0u s ALA 108 CO 0.72 -0.34 1.28 0.08 0.00 0.00 0.00 175.76 177.51 3h0u s VAL 109 N -0.83 3.82 -0.13 0.00 1.01 -0.05 -4.88 120.40 119.34 3h0u s VAL 109 Ca 0.48 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.73 3h0u s VAL 109 Cb -0.34 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3h0u s VAL 109 CO 0.43 0.07 -0.08 0.42 0.00 0.00 0.00 175.10 175.93 3h0u s THR 110 N 1.41 3.48 -0.15 3.92 -4.23 -1.26 -0.42 115.64 118.40 3h0u s THR 110 Ca 0.61 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 3h0u s THR 110 Cb -0.31 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.06 3h0u s THR 110 CO 0.28 0.52 -0.20 -0.63 -0.54 0.00 0.00 174.62 174.05 3h0u s ILE 111 N 0.22 1.97 -0.24 2.99 1.01 0.06 -1.73 121.20 125.47 3h0u s ILE 111 Ca -0.05 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 3h0u s ILE 111 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3h0u s ILE 111 CO 0.04 0.53 0.39 0.00 0.00 0.00 0.00 174.94 175.90 3h0u s ALA 112 N 1.00 3.57 -0.36 9.38 0.00 -0.05 -0.34 121.76 134.95 3h0u s ALA 112 Ca -0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 3h0u s ALA 112 Cb -0.15 -2.68 0.06 0.00 0.00 0.00 0.00 23.12 20.35 3h0u s ALA 112 CO -0.05 -0.50 0.14 0.21 0.00 0.00 0.00 175.76 175.56 3h0u s LYS 113 N 1.74 2.53 -0.20 0.00 2.20 -0.30 -1.42 119.74 124.29 3h0u s LYS 113 Ca 0.17 -1.32 -0.07 0.00 -0.36 0.00 0.00 55.97 54.40 3h0u s LYS 113 Cb -0.15 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3h0u s LYS 113 CO 0.09 -0.77 0.05 -1.17 -0.36 0.00 0.00 175.35 173.19 3h0u s LEU 114 N 1.37 3.59 0.00 5.43 2.96 -0.35 -4.51 118.68 127.16 3h0u s LEU 114 Ca 0.00 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3h0u s LEU 114 Cb -0.21 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.57 3h0u s LEU 114 CO 0.02 0.11 0.66 0.54 -1.32 0.00 0.00 176.35 176.36 3h0u n ARG 115 N 3.97 1.16 0.00 1.98 1.74 -1.26 -0.81 116.66 123.44 3h0u n ARG 115 Ca -0.17 -0.88 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 3h0u n ARG 115 Cb 0.52 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 3h0u n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h0u n GLY 116 N -0.21 3.28 3.74 -0.13 0.00 -1.24 -4.41 105.19 106.21 3h0u n GLY 116 Ca 0.00 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 3h0u n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h0u s ARG 117 N 1.87 4.40 -0.20 1.61 0.52 -0.20 -0.99 118.95 125.95 3h0u s ARG 117 Ca 0.00 0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 56.02 3h0u s ARG 117 Cb 0.00 -3.39 0.06 0.00 0.52 0.00 0.00 34.95 32.14 3h0u s ARG 117 CO 0.00 0.23 0.02 0.00 0.02 0.00 0.00 175.30 175.57 3h0u s ALA 118 N 0.24 1.17 0.12 2.13 0.00 -0.17 0.03 121.76 125.28 3h0u s ALA 118 Ca 0.34 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.56 3h0u s ALA 118 Cb -0.18 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3h0u s ALA 118 CO 0.18 -1.17 -0.17 1.03 0.00 0.00 0.00 175.76 175.63 3h0u s ARG 119 N 1.77 1.09 7.69 0.00 0.52 -1.04 -2.61 118.95 126.37 3h0u s ARG 119 Ca -0.02 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 3h0u s ARG 119 Cb -0.17 -1.15 0.00 0.00 0.52 0.00 0.00 34.95 34.14 3h0u s ARG 119 CO -0.08 0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.90 3h0u n GLY 120 N 0.74 3.19 0.22 -3.53 0.00 -0.26 -0.78 105.19 104.78 3h0u n GLY 120 Ca -0.17 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 45.85 3h0u n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0u h ALA 121 N -0.74 1.00 -0.21 4.61 0.00 -1.90 -0.96 119.26 121.06 3h0u h ALA 121 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3h0u h ALA 121 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h0u h ALA 121 CO 0.00 0.00 0.03 0.78 0.00 0.00 0.00 179.25 180.06 3h0u h GLY 122 N 1.17 0.39 1.02 0.00 0.00 -1.18 0.47 103.07 104.95 3h0u h GLY 122 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3h0u h GLY 122 CO 0.00 0.25 0.16 0.23 0.00 0.00 0.00 176.54 177.18 3h0u h SER 123 N 0.15 0.93 -0.50 0.19 0.87 -1.39 -3.01 113.55 110.80 3h0u h SER 123 Ca 0.06 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3h0u h SER 123 Cb 0.34 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 3h0u h SER 123 CO 0.01 0.91 0.29 -0.33 -0.53 0.00 0.00 176.83 177.18 3h0u h GLU 124 N 0.90 0.71 -0.11 2.24 5.08 -1.03 0.32 114.58 122.69 3h0u h GLU 124 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3h0u h GLU 124 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3h0u h GLU 124 CO 0.00 0.52 0.07 0.35 -1.00 0.00 0.00 179.01 178.94 3h0u h PHE 125 N 0.72 0.14 -0.73 4.33 3.57 -0.79 -1.56 116.94 122.61 3h0u h PHE 125 Ca 0.19 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3h0u h PHE 125 Cb 0.01 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3h0u h PHE 125 CO 0.00 0.11 0.47 -0.07 -2.23 0.00 0.00 178.31 176.59 3h0u h LEU 126 N 0.13 0.80 -1.66 0.59 3.38 -1.25 -2.46 115.31 114.85 3h0u h LEU 126 Ca 0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3h0u h LEU 126 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3h0u h LEU 126 CO -0.01 0.56 -0.18 -0.07 0.09 0.00 0.00 178.44 178.84 3h0u h LEU 127 N 0.94 0.00 -0.33 1.67 3.38 -0.68 -2.34 115.31 117.95 3h0u h LEU 127 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 3h0u h LEU 127 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3h0u h LEU 127 CO -0.09 0.18 -0.40 0.00 0.09 0.00 0.00 178.44 178.23 3h0u h ALA 128 N 1.82 0.80 -2.33 1.53 0.00 -0.83 -3.45 119.26 116.80 3h0u h ALA 128 Ca -0.00 -0.36 -0.47 0.00 0.00 0.00 0.00 54.91 54.07 3h0u h ALA 128 Cb 0.33 -0.06 0.15 0.00 0.00 0.00 0.00 17.79 18.21 3h0u h ALA 128 CO 0.02 0.50 0.22 0.00 0.00 0.00 0.00 179.25 179.99 3h0u h ASP 130 N -1.70 0.48 -4.77 0.00 3.32 -1.61 -3.46 116.42 108.68 3h0u h ASP 130 Ca -0.51 -0.42 -0.17 0.00 0.02 0.00 0.00 57.03 55.96 3h0u h ASP 130 Cb 1.30 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 3h0u h ASP 130 CO 0.55 1.24 -0.60 -0.04 -1.72 0.00 0.00 179.24 178.67 3h0u s MET 131 N -3.09 0.35 -0.10 3.56 -1.94 -1.05 -5.03 119.30 112.00 3h0u s MET 131 Ca -0.05 -0.39 0.01 0.00 -1.71 0.00 0.00 55.69 53.54 3h0u s MET 131 Cb 0.08 0.14 0.02 0.00 2.01 0.00 0.00 34.83 37.08 3h0u s MET 131 CO 0.87 -0.07 -0.10 1.03 -0.01 0.00 0.00 175.02 176.74 3h0u s ARG 132 N -1.17 1.61 -0.07 2.03 0.52 -1.26 -0.87 118.95 119.74 3h0u s ARG 132 Ca -0.13 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 3h0u s ARG 132 Cb -0.07 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.87 3h0u s ARG 132 CO 0.00 -0.15 -0.17 -0.06 0.02 0.00 0.00 175.30 174.94 3h0u s PHE 133 N 1.29 1.85 -0.01 -0.53 0.08 -0.51 -0.38 117.98 119.78 3h0u s PHE 133 Ca -0.03 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.41 3h0u s PHE 133 Cb -0.14 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3h0u s PHE 133 CO -0.04 -0.29 -0.19 0.00 -0.10 0.00 0.00 175.22 174.60 3h0u s ALA 134 N 0.39 1.62 0.00 5.36 0.00 -0.62 -1.21 121.76 127.29 3h0u s ALA 134 Ca -0.13 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 3h0u s ALA 134 Cb -0.15 -0.39 -0.07 0.00 0.00 0.00 0.00 23.12 22.51 3h0u s ALA 134 CO 0.05 0.39 1.65 0.45 0.00 0.00 0.00 175.76 178.30 3h0u s SER 135 N -0.57 6.65 0.23 0.00 0.15 0.01 -0.40 113.70 119.76 3h0u s SER 135 Ca 0.07 2.35 -0.06 0.00 0.70 0.00 0.00 55.95 59.01 3h0u s SER 135 Cb -0.08 -2.55 0.33 0.00 -1.71 0.00 0.00 66.02 62.01 3h0u s SER 135 CO -0.00 -0.90 1.81 -0.09 1.20 0.00 0.00 173.24 175.26 3h0u h ARG 136 N 9.02 0.74 -0.01 5.44 2.43 -1.34 -1.45 114.38 129.20 3h0u h ARG 136 Ca -0.41 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.53 3h0u h ARG 136 Cb 1.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3h0u h ARG 136 CO 0.94 0.49 -0.83 0.93 -1.51 0.00 0.00 179.97 179.99 3h0u h GLU 137 N 0.76 0.17 0.00 0.20 3.07 -1.91 -3.40 114.58 113.46 3h0u h GLU 137 Ca 0.35 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3h0u h GLU 137 Cb 0.28 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3h0u h GLU 137 CO -0.22 0.90 -0.80 0.09 -1.40 0.00 0.00 179.01 177.58 3h0u n ASN 138 N -3.68 4.02 -4.73 1.42 3.02 -1.13 -5.04 115.26 109.14 3h0u n ASN 138 Ca -0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 3h0u n ASN 138 Cb 0.77 0.80 -0.04 0.00 -0.61 0.00 0.00 39.78 40.71 3h0u n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0u s ALA 139 N -1.61 3.39 -0.03 5.41 0.00 -0.56 -3.72 121.76 124.64 3h0u s ALA 139 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.84 3h0u s ALA 139 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3h0u s ALA 139 CO 0.00 -0.32 -0.05 0.42 0.00 0.00 0.00 175.76 175.81 3h0u s ILE 140 N 0.16 0.49 0.04 0.00 -1.09 -0.16 -2.86 121.20 117.78 3h0u s ILE 140 Ca 0.53 -0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.89 3h0u s ILE 140 Cb -0.30 -0.49 -0.03 0.00 -1.58 0.00 0.00 42.46 40.06 3h0u s ILE 140 CO 0.34 0.19 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.24 3h0u s LEU 141 N 0.61 2.16 0.07 2.97 1.43 -0.36 -1.00 118.68 124.56 3h0u s LEU 141 Ca -0.08 -0.56 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 3h0u s LEU 141 Cb -0.11 -1.18 0.08 0.00 0.03 0.00 0.00 46.19 45.01 3h0u s LEU 141 CO -0.00 0.23 0.71 -0.83 0.23 0.00 0.00 176.35 176.69 3h0u s GLY 142 N -1.17 -0.55 -0.61 -3.19 0.00 -1.07 0.00 107.32 100.72 3h0u s GLY 142 Ca 0.10 0.83 0.04 0.00 0.00 0.00 0.00 44.72 45.69 3h0u s GLY 142 CO 0.02 0.36 0.39 1.20 0.00 0.00 0.00 173.10 175.07 3h0u s GLN 143 N -3.09 2.17 0.00 2.90 -1.52 -1.26 -1.10 119.66 117.76 3h0u s GLN 143 Ca 0.00 -2.97 0.20 0.00 -1.95 0.00 0.00 55.36 50.65 3h0u s GLN 143 Cb -0.01 -3.26 1.16 0.00 -0.22 0.00 0.00 33.01 30.69 3h0u s GLN 143 CO -0.08 -1.22 1.62 -0.35 -0.25 0.00 0.00 175.29 175.01 3h0u n PRO 144 N 2.50 0.54 0.05 2.91 -0.04 -1.26 -4.13 135.00 135.57 3h0u n PRO 144 Ca 0.14 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 3h0u n PRO 144 Cb 0.34 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 3h0u n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h0u h GLU 145 N 0.00 -0.08 -0.69 0.54 3.07 -1.90 -2.07 114.58 113.46 3h0u h GLU 145 Ca 0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 3h0u h GLU 145 Cb 0.05 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 3h0u h GLU 145 CO 0.00 -0.05 0.33 0.28 -1.40 0.00 0.00 179.01 178.17 3h0u h VAL 146 N -0.08 1.23 -0.60 3.13 2.07 -1.50 0.20 116.25 120.69 3h0u h VAL 146 Ca 0.02 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3h0u h VAL 146 Cb 0.10 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3h0u h VAL 146 CO -0.04 0.27 0.40 1.23 0.02 0.00 0.00 177.57 179.45 3h0u h GLY 147 N 0.96 0.82 0.82 2.17 0.00 -1.77 -2.17 103.07 103.89 3h0u h GLY 147 Ca 0.24 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 3h0u h GLY 147 CO -0.03 0.27 -0.61 -2.22 0.00 0.00 0.00 176.54 173.95 3h0u h ILE 148 N 0.75 1.41 0.00 2.60 2.04 -0.80 -3.48 117.51 120.03 3h0u h ILE 148 Ca 0.23 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 64.04 3h0u h ILE 148 Cb 0.02 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3h0u h ILE 148 CO -0.06 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.30 3h0u n GLY 149 N 1.01 0.00 3.01 5.37 0.00 0.55 -4.34 105.19 110.79 3h0u n GLY 149 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3h0u n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0u s ALA 150 N 0.00 0.27 0.51 4.61 0.00 -0.36 -4.76 121.76 122.03 3h0u s ALA 150 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 3h0u s ALA 150 Cb 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 3h0u s ALA 150 CO 0.00 -0.14 1.13 -1.25 0.00 0.00 0.00 175.76 175.50 3h0u s PRO 151 N -1.67 3.55 0.28 0.00 0.04 -1.26 -1.69 135.00 134.24 3h0u s PRO 151 Ca -0.13 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 3h0u s PRO 151 Cb -0.09 -2.15 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 3h0u s PRO 151 CO -0.01 -0.70 1.35 -2.30 0.04 0.00 0.00 177.00 175.38 3h0u n PRO 152 N -0.99 2.04 0.00 0.56 -0.02 -1.26 -4.43 135.00 130.90 3h0u n PRO 152 Ca 0.10 0.72 0.07 0.00 -2.02 0.00 0.00 63.50 62.37 3h0u n PRO 152 Cb 0.50 -2.34 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3h0u n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h0u n GLY 153 N 1.63 -0.09 0.32 -1.23 0.00 -1.26 -4.66 105.19 99.90 3h0u n GLY 153 Ca 0.09 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.79 3h0u n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0u n ALA 154 N 0.28 2.35 0.00 4.61 0.00 -1.26 -3.45 120.51 123.05 3h0u n ALA 154 Ca 0.07 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.25 3h0u n ALA 154 Cb 0.31 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3h0u n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h0u n GLY 155 N -0.92 1.28 0.37 0.00 0.00 -1.26 -4.54 105.19 100.12 3h0u n GLY 155 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 3h0u n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0u h ALA 156 N 0.00 1.31 -0.35 4.61 0.00 -1.91 0.10 119.26 123.02 3h0u h ALA 156 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h0u h ALA 156 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3h0u h ALA 156 CO 0.00 0.57 0.21 0.82 0.00 0.00 0.00 179.25 180.86 3h0u h ILE 157 N 1.29 1.12 -0.15 0.00 2.04 -1.96 0.15 117.51 120.00 3h0u h ILE 157 Ca 0.39 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 3h0u h ILE 157 Cb -0.04 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3h0u h ILE 157 CO -0.11 0.12 -0.23 1.56 0.00 0.00 0.00 178.15 179.49 3h0u h GLN 158 N 0.46 0.42 -0.03 2.37 1.08 -1.79 -2.60 115.11 115.02 3h0u h GLN 158 Ca 0.13 -0.25 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 3h0u h GLN 158 Cb 0.01 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3h0u h GLN 158 CO -0.02 0.84 -0.24 0.45 -0.95 0.00 0.00 178.83 178.91 3h0u h HIS 159 N 0.04 0.30 -0.54 2.96 3.86 -0.81 -3.18 115.15 117.77 3h0u h HIS 159 Ca 0.01 -0.14 -0.07 0.00 -1.16 0.00 0.00 60.37 59.01 3h0u h HIS 159 Cb 0.80 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 3h0u h HIS 159 CO 0.09 0.88 0.04 -0.07 0.86 0.00 0.00 177.93 179.74 3h0u h LEU 160 N -0.37 0.85 -0.81 2.43 3.38 -0.80 0.00 115.31 119.99 3h0u h LEU 160 Ca -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3h0u h LEU 160 Cb 0.93 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3h0u h LEU 160 CO 0.05 0.88 0.48 0.74 0.09 0.00 0.00 178.44 180.69 3h0u h THR 161 N 0.83 1.23 -0.10 0.22 2.02 -1.56 0.19 112.91 115.74 3h0u h THR 161 Ca 0.16 -0.51 -0.22 0.00 0.77 0.00 0.00 66.41 66.62 3h0u h THR 161 Cb 0.43 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3h0u h THR 161 CO 0.02 0.24 -0.82 0.03 0.37 0.00 0.00 175.52 175.36 3h0u h ARG 162 N 1.11 0.65 0.08 6.66 3.08 -1.44 -1.29 114.38 123.23 3h0u h ARG 162 Ca 0.29 -0.56 -0.19 0.00 0.07 0.00 0.00 59.98 59.59 3h0u h ARG 162 Cb -0.03 0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.16 3h0u h ARG 162 CO -0.05 1.18 -0.79 -0.07 -1.07 0.00 0.00 179.97 179.16 3h0u h LEU 163 N 0.42 0.55 0.00 3.04 3.38 -0.79 -3.37 115.31 118.55 3h0u h LEU 163 Ca -0.06 -0.86 -0.12 0.00 0.09 0.00 0.00 57.88 56.93 3h0u h LEU 163 Cb 1.44 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3h0u h LEU 163 CO 0.16 1.36 -1.39 0.18 0.09 0.00 0.00 178.44 178.83 3h0u n LEU 164 N -4.12 0.77 0.00 1.67 4.32 0.66 -4.71 117.00 115.59 3h0u n LEU 164 Ca -0.12 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 3h0u n LEU 164 Cb 0.79 0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.64 3h0u n LEU 164 CO 0.49 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.34 3h0u n GLY 165 N 1.35 -1.30 0.14 -0.72 0.00 -0.48 -4.39 105.19 99.79 3h0u n GLY 165 Ca -0.08 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.27 3h0u n GLY 165 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h0u h ARG 166 N 0.00 -0.06 -0.08 1.61 2.43 -1.91 -0.88 114.38 115.49 3h0u h ARG 166 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3h0u h ARG 166 Cb 0.00 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3h0u h ARG 166 CO 0.00 -0.04 0.02 0.78 -1.51 0.00 0.00 179.97 179.22 3h0u h GLY 167 N -0.06 0.14 1.68 2.80 0.00 -1.96 -0.68 103.07 105.00 3h0u h GLY 167 Ca 0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3h0u h GLY 167 CO -0.24 0.08 -0.48 3.21 0.00 0.00 0.00 176.54 179.12 3h0u h ARG 168 N -0.09 0.34 -0.46 4.80 3.08 -1.75 -1.52 114.38 118.78 3h0u h ARG 168 Ca 0.02 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 3h0u h ARG 168 Cb 0.25 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3h0u h ARG 168 CO 0.00 0.75 0.01 0.00 -1.07 0.00 0.00 179.97 179.66 3h0u h ALA 169 N 1.22 0.61 -0.54 0.04 0.00 -1.09 -0.10 119.26 119.40 3h0u h ALA 169 Ca 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3h0u h ALA 169 Cb 0.95 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3h0u h ALA 169 CO 0.08 0.40 0.30 -0.07 0.00 0.00 0.00 179.25 179.96 3h0u h LEU 170 N 0.65 0.66 0.27 0.00 3.38 -0.98 -0.12 115.31 119.18 3h0u h LEU 170 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h0u h LEU 170 Cb 0.49 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3h0u h LEU 170 CO 0.02 0.55 -0.25 -0.08 0.09 0.00 0.00 178.44 178.77 3h0u h GLU 171 N 0.72 -0.53 -0.24 1.13 4.81 -1.10 -0.26 114.58 119.11 3h0u h GLU 171 Ca 0.19 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3h0u h GLU 171 Cb 0.03 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3h0u h GLU 171 CO -0.03 -0.35 0.15 0.00 -0.73 0.00 0.00 179.01 178.04 3h0u h ALA 172 N 0.09 0.30 -0.01 2.92 0.00 -0.76 -1.28 119.26 120.52 3h0u h ALA 172 Ca -0.01 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 3h0u h ALA 172 Cb 0.50 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.22 3h0u h ALA 172 CO -0.04 -0.21 -1.03 0.28 0.00 0.00 0.00 179.25 178.26 3h0u h VAL 173 N 0.31 1.28 0.00 0.00 2.07 -1.02 -2.93 116.25 115.96 3h0u h VAL 173 Ca 0.09 -2.23 -0.23 0.00 0.82 0.00 0.00 66.70 65.14 3h0u h VAL 173 Cb -0.00 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3h0u h VAL 173 CO -0.02 0.69 -1.24 -0.07 0.02 0.00 0.00 177.57 176.96 3h0u h LEU 174 N 0.40 0.00 0.00 2.57 3.38 -1.04 -3.29 115.31 117.33 3h0u h LEU 174 Ca -0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3h0u h LEU 174 Cb 1.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3h0u h LEU 174 CO 0.20 0.97 -0.43 0.71 0.09 0.00 0.00 178.44 179.98 3h0u h THR 175 N 0.00 0.61 -1.93 0.22 1.35 -1.35 -3.44 112.91 108.37 3h0u h THR 175 Ca -0.11 -1.88 -0.33 0.00 -0.55 0.00 0.00 66.41 63.55 3h0u h THR 175 Cb 1.83 2.28 -0.09 0.00 -1.73 0.00 0.00 68.15 70.44 3h0u h THR 175 CO 0.11 0.35 -0.33 -1.20 -0.25 0.00 0.00 175.52 174.19 3h0u n SER 176 N -3.17 -4.40 -4.86 5.36 7.64 -1.10 -4.88 113.62 108.21 3h0u n SER 176 Ca 0.02 0.31 -0.31 0.00 1.01 0.00 0.00 58.87 59.89 3h0u n SER 176 Cb 0.68 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 3h0u n SER 176 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h0u s SER 177 N -2.26 6.23 0.25 6.43 0.01 -1.26 -4.46 113.70 118.63 3h0u s SER 177 Ca 0.00 1.47 -0.23 0.00 1.31 0.00 0.00 55.95 58.51 3h0u s SER 177 Cb 0.00 -2.48 -0.09 0.00 0.21 0.00 0.00 66.02 63.66 3h0u s SER 177 CO 0.00 -0.87 0.81 -1.81 0.41 0.00 0.00 173.24 171.78 3h0u s ASP 178 N -3.90 7.21 -0.10 2.44 1.01 -1.26 -4.32 116.67 117.74 3h0u s ASP 178 Ca 0.56 1.59 0.03 0.00 0.71 0.00 0.00 52.55 55.45 3h0u s ASP 178 Cb -0.11 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3h0u s ASP 178 CO 0.49 0.03 -0.21 -0.36 0.21 0.00 0.00 175.17 175.33 3h0u s PHE 179 N -1.49 2.34 0.91 4.23 0.08 0.10 -4.97 117.98 119.19 3h0u s PHE 179 Ca 0.44 -0.99 -0.13 0.00 0.12 0.00 0.00 56.93 56.37 3h0u s PHE 179 Cb -0.18 -1.59 0.14 0.00 -0.57 0.00 0.00 43.02 40.82 3h0u s PHE 179 CO 0.23 -0.42 1.16 0.16 -0.10 0.00 0.00 175.22 176.24 3h0u s ASP 180 N 0.50 3.50 0.20 1.36 1.47 -1.26 -1.22 116.67 121.23 3h0u s ASP 180 Ca -0.16 0.85 -0.09 0.00 1.18 0.00 0.00 52.55 54.33 3h0u s ASP 180 Cb -0.17 -1.34 0.14 0.00 -0.34 0.00 0.00 42.92 41.22 3h0u s ASP 180 CO 0.06 -2.54 1.79 0.00 0.68 0.00 0.00 175.17 175.15 3h0u h ALA 181 N -1.49 0.98 -0.48 2.11 0.00 -1.74 0.10 119.26 118.74 3h0u h ALA 181 Ca -0.49 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 3h0u h ALA 181 Cb 1.32 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3h0u h ALA 181 CO 0.59 0.56 0.13 -0.44 0.00 0.00 0.00 179.25 180.09 3h0u h ASP 182 N 1.07 0.71 -0.44 0.00 3.32 -1.91 0.66 116.42 119.83 3h0u h ASP 182 Ca 0.26 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 3h0u h ASP 182 Cb 0.14 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3h0u h ASP 182 CO -0.03 0.74 -0.25 0.25 -1.72 0.00 0.00 179.24 178.24 3h0u h LEU 183 N 0.64 0.97 -0.84 1.55 5.85 -1.88 -1.03 115.31 120.57 3h0u h LEU 183 Ca 0.15 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3h0u h LEU 183 Cb 0.30 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 3h0u h LEU 183 CO -0.00 1.18 0.51 0.00 -0.34 0.00 0.00 178.44 179.78 3h0u h ALA 184 N 0.83 1.18 -0.17 1.25 0.00 -0.71 0.62 119.26 122.26 3h0u h ALA 184 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h0u h ALA 184 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3h0u h ALA 184 CO 0.07 0.19 0.04 1.49 0.00 0.00 0.00 179.25 181.05 3h0u h GLU 185 N 0.89 0.28 -0.83 0.00 4.81 -0.57 0.33 114.58 119.49 3h0u h GLU 185 Ca 0.39 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.60 3h0u h GLU 185 Cb 0.26 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 3h0u h GLU 185 CO -0.21 0.42 0.54 0.00 -0.73 0.00 0.00 179.01 179.03 3h0u h ARG 186 N 0.09 0.94 0.00 1.92 3.08 -0.55 -1.75 114.38 118.10 3h0u h ARG 186 Ca 0.05 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h0u h ARG 186 Cb 0.26 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3h0u h ARG 186 CO 0.00 0.62 0.00 1.88 -1.07 0.00 0.00 179.97 181.40 3h0u h TYR 187 N 0.96 0.00 0.00 3.04 -1.99 -0.76 -3.48 116.97 114.74 3h0u h TYR 187 Ca 0.34 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.07 3h0u h TYR 187 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 3h0u h TYR 187 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 3h0u n GLY 188 N 1.05 0.87 0.18 3.88 0.00 -0.46 -4.20 105.19 106.50 3h0u n GLY 188 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 3h0u n GLY 188 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3h0u h TRP 189 N 0.00 0.32 -2.63 1.61 2.91 -1.23 -3.44 115.95 113.49 3h0u h TRP 189 Ca 0.00 -0.10 -0.56 0.00 1.13 0.00 0.00 58.89 59.35 3h0u h TRP 189 Cb 0.00 -0.06 -0.15 0.00 -0.51 0.00 0.00 29.16 28.44 3h0u h TRP 189 CO 0.00 0.72 -0.76 0.14 -1.03 0.00 0.00 178.44 177.50 3h0u s VAL 190 N -3.95 2.20 0.04 2.65 -7.23 -1.19 -4.94 120.40 107.98 3h0u s VAL 190 Ca -0.04 -2.25 -0.24 0.00 -1.81 0.00 0.00 61.98 57.64 3h0u s VAL 190 Cb 0.13 -2.16 -0.16 0.00 0.56 0.00 0.00 36.38 34.75 3h0u s VAL 190 CO 0.79 -0.40 1.49 0.78 -0.31 0.00 0.00 175.10 177.44 3h0u h ASN 191 N 2.58 0.07 -4.83 4.85 4.21 -0.99 -3.41 115.58 118.06 3h0u h ASN 191 Ca -0.41 -0.27 -0.09 0.00 1.21 0.00 0.00 56.30 56.75 3h0u h ASN 191 Cb 1.24 -0.02 -0.20 0.00 -1.12 0.00 0.00 38.32 38.22 3h0u h ASN 191 CO 0.58 0.32 -0.04 -0.13 -1.29 0.00 0.00 177.43 176.87 3h0u s ARG 192 N -5.12 0.83 -0.10 0.81 0.52 -1.20 -4.98 118.95 109.71 3h0u s ARG 192 Ca -0.14 0.15 -0.15 0.00 -0.52 0.00 0.00 55.73 55.06 3h0u s ARG 192 Cb 0.04 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.85 3h0u s ARG 192 CO 0.68 -0.23 0.39 0.00 0.02 0.00 0.00 175.30 176.15 3h0u s ALA 193 N -1.02 3.58 0.00 2.13 0.00 -1.26 -1.59 121.76 123.60 3h0u s ALA 193 Ca -0.10 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.60 3h0u s ALA 193 Cb -0.03 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 3h0u s ALA 193 CO 0.06 0.17 -0.14 0.08 0.00 0.00 0.00 175.76 175.93 3h0u s VAL 194 N 0.11 1.12 0.38 0.00 1.01 0.46 -4.85 120.40 118.63 3h0u s VAL 194 Ca 0.22 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 3h0u s VAL 194 Cb -0.15 -0.95 -0.11 0.00 0.00 0.00 0.00 36.38 35.18 3h0u s VAL 194 CO 0.09 0.24 1.35 -2.65 0.00 0.00 0.00 175.10 174.13 3h0u n PRO 195 N 2.53 2.24 -0.30 2.72 -0.02 -1.26 -0.92 135.00 139.99 3h0u n PRO 195 Ca -0.15 0.79 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 3h0u n PRO 195 Cb 0.55 -2.47 0.34 0.00 -0.02 0.00 0.00 33.50 31.90 3h0u n PRO 195 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3h0u h ASP 196 N 2.51 0.73 0.90 2.55 3.58 -1.92 0.57 116.42 125.35 3h0u h ASP 196 Ca -0.48 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.01 3h0u h ASP 196 Cb 1.27 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.22 3h0u h ASP 196 CO 0.62 0.37 0.00 0.00 -2.88 0.00 0.00 179.24 177.35 3h0u h ALA 197 N 1.59 1.00 0.00 -0.78 0.00 -2.03 -2.99 119.26 116.04 3h0u h ALA 197 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3h0u h ALA 197 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3h0u h ALA 197 CO -0.23 0.00 -1.37 0.39 0.00 0.00 0.00 179.25 178.04 3h0u n GLU 198 N -2.94 0.75 -0.13 0.00 1.02 0.10 -4.71 120.64 114.73 3h0u n GLU 198 Ca 0.01 -0.09 -0.07 0.00 -0.02 0.00 0.00 57.16 56.99 3h0u n GLU 198 Cb 0.28 -1.41 0.02 0.00 -0.02 0.00 0.00 31.44 30.30 3h0u n GLU 198 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3h0u h LEU 199 N 0.00 0.35 -0.26 -4.62 5.85 -1.15 -0.98 115.31 114.51 3h0u h LEU 199 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3h0u h LEU 199 Cb 0.65 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3h0u h LEU 199 CO 0.00 0.26 0.14 0.44 -0.34 0.00 0.00 178.44 178.93 3h0u h ASP 200 N 0.46 0.32 -0.60 1.25 3.32 -1.84 -1.54 116.42 117.80 3h0u h ASP 200 Ca 0.17 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3h0u h ASP 200 Cb 0.04 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3h0u h ASP 200 CO -0.09 0.33 0.04 -0.33 -1.72 0.00 0.00 179.24 177.47 3h0u h GLU 201 N 0.30 1.02 -0.03 3.56 3.07 -1.84 -0.93 114.58 119.74 3h0u h GLU 201 Ca 0.09 -0.30 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3h0u h GLU 201 Cb 0.08 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3h0u h GLU 201 CO -0.01 0.99 0.02 0.35 -1.40 0.00 0.00 179.01 178.95 3h0u h PHE 202 N 0.92 0.03 -0.55 4.33 3.57 -1.00 -1.30 116.94 122.94 3h0u h PHE 202 Ca 0.17 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 3h0u h PHE 202 Cb 0.50 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3h0u h PHE 202 CO 0.04 0.06 0.05 0.28 -2.23 0.00 0.00 178.31 176.51 3h0u h VAL 203 N 0.00 1.26 -0.73 1.41 2.07 -1.21 -2.39 116.25 116.65 3h0u h VAL 203 Ca 0.01 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3h0u h VAL 203 Cb 0.03 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3h0u h VAL 203 CO -0.00 0.37 0.42 0.00 0.02 0.00 0.00 177.57 178.39 3h0u h ALA 204 N 0.98 1.38 -0.11 1.67 0.00 -1.04 -1.62 119.26 120.51 3h0u h ALA 204 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h0u h ALA 204 Cb 0.47 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3h0u h ALA 204 CO 0.02 0.53 0.01 0.78 0.00 0.00 0.00 179.25 180.59 3h0u h GLY 205 N 1.04 0.20 0.77 0.00 0.00 -1.01 -0.67 103.07 103.40 3h0u h GLY 205 Ca 0.26 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.49 3h0u h GLY 205 CO -0.05 0.13 0.18 -2.22 0.00 0.00 0.00 176.54 174.58 3h0u h ILE 206 N -0.06 0.95 -0.81 2.60 2.04 -1.20 0.12 117.51 121.15 3h0u h ILE 206 Ca 0.03 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3h0u h ILE 206 Cb 0.32 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3h0u h ILE 206 CO 0.00 0.07 0.45 0.00 0.00 0.00 0.00 178.15 178.67 3h0u h ALA 207 N 1.22 1.25 -0.73 1.87 0.00 -1.21 -2.44 119.26 119.23 3h0u h ALA 207 Ca 0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3h0u h ALA 207 Cb 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3h0u h ALA 207 CO -0.13 0.61 0.24 0.00 0.00 0.00 0.00 179.25 179.96 3h0u h ALA 208 N 1.35 0.96 -0.47 0.00 0.00 -0.49 -1.41 119.26 119.20 3h0u h ALA 208 Ca 0.29 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h0u h ALA 208 Cb 0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.46 3h0u h ALA 208 CO -0.05 0.63 -0.40 0.00 0.00 0.00 0.00 179.25 179.43 3h0u h ARG 209 N 1.08 -0.15 0.00 0.00 2.47 -0.30 -3.12 114.38 114.36 3h0u h ARG 209 Ca 0.24 0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.85 3h0u h ARG 209 Cb 0.29 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 3h0u h ARG 209 CO -0.01 -0.10 -0.54 0.52 0.56 0.00 0.00 179.97 180.40 3h0u h MET 210 N -0.16 0.00 -1.17 0.04 2.86 -1.28 -3.11 114.93 112.11 3h0u h MET 210 Ca 0.08 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 58.05 3h0u h MET 210 Cb 0.36 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.94 3h0u h MET 210 CO -0.53 0.54 0.79 0.66 1.06 0.00 0.00 176.91 179.44 3h0u h SER 211 N 0.00 0.24 0.05 1.22 4.64 -1.20 -1.06 113.55 117.44 3h0u h SER 211 Ca -0.01 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3h0u h SER 211 Cb 1.18 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3h0u h SER 211 CO 0.07 0.01 -0.10 0.61 -0.87 0.00 0.00 176.83 176.55 3h0u n GLY 212 N -1.61 -0.05 3.88 -0.77 0.00 -1.17 -4.90 105.19 100.56 3h0u n GLY 212 Ca 0.28 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3h0u n GLY 212 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0u s PHE 213 N -2.17 3.45 0.22 1.61 0.08 -0.40 -4.99 117.98 115.78 3h0u s PHE 213 Ca 0.32 0.94 -0.32 0.00 0.12 0.00 0.00 56.93 57.99 3h0u s PHE 213 Cb 0.20 -2.34 -0.13 0.00 -0.57 0.00 0.00 43.02 40.18 3h0u s PHE 213 CO 0.40 0.04 1.58 -2.30 -0.10 0.00 0.00 175.22 174.84 3h0u n PRO 214 N -0.92 2.40 -0.16 0.24 -0.02 -1.26 -4.88 135.00 130.40 3h0u n PRO 214 Ca 0.01 0.86 -0.04 0.00 -2.02 0.00 0.00 63.50 62.31 3h0u n PRO 214 Cb 0.54 -2.62 0.05 0.00 -0.02 0.00 0.00 33.50 31.44 3h0u n PRO 214 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h0u h ARG 215 N 5.47 0.42 -0.08 -0.52 3.08 -1.95 -2.22 114.38 118.57 3h0u h ARG 215 Ca -0.45 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.52 3h0u h ARG 215 Cb 1.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3h0u h ARG 215 CO 0.85 0.27 -0.22 0.38 -1.07 0.00 0.00 179.97 180.19 3h0u h ASP 216 N 0.43 0.14 -0.29 7.04 2.03 -1.99 -1.66 116.42 122.12 3h0u h ASP 216 Ca 0.22 -0.03 -0.06 0.00 -0.73 0.00 0.00 57.03 56.43 3h0u h ASP 216 Cb 0.18 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 3h0u h ASP 216 CO -0.19 0.37 -0.07 0.00 -1.03 0.00 0.00 179.24 178.32 3h0u h ALA 217 N 1.65 0.40 -0.25 4.15 0.00 -1.79 0.20 119.26 123.61 3h0u h ALA 217 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3h0u h ALA 217 Cb 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3h0u h ALA 217 CO 0.03 0.22 0.15 -0.07 0.00 0.00 0.00 179.25 179.58 3h0u h LEU 218 N 0.32 0.24 -0.37 0.00 3.38 -1.16 -1.10 115.31 116.61 3h0u h LEU 218 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3h0u h LEU 218 Cb 0.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3h0u h LEU 218 CO 0.03 0.18 0.09 0.40 0.09 0.00 0.00 178.44 179.22 3h0u h ILE 219 N 0.30 1.23 -0.30 1.22 2.04 -1.26 -1.55 117.51 119.20 3h0u h ILE 219 Ca 0.10 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3h0u h ILE 219 Cb -0.00 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3h0u h ILE 219 CO -0.05 0.26 0.13 0.00 0.00 0.00 0.00 178.15 178.49 3h0u h ALA 220 N 0.93 0.38 -0.34 1.87 0.00 -0.80 -0.24 119.26 121.06 3h0u h ALA 220 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h0u h ALA 220 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3h0u h ALA 220 CO 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 179.25 179.23 3h0u h ALA 221 N 0.97 0.46 -0.45 0.00 0.00 -1.15 -1.36 119.26 117.73 3h0u h ALA 221 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3h0u h ALA 221 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3h0u h ALA 221 CO -0.01 0.21 0.24 -0.22 0.00 0.00 0.00 179.25 179.47 3h0u h LYS 222 N 0.41 0.63 -0.84 0.00 3.64 -1.20 -1.33 116.57 117.87 3h0u h LYS 222 Ca 0.10 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h0u h LYS 222 Cb 0.44 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 3h0u h LYS 222 CO 0.02 0.50 0.51 0.77 -2.27 0.00 0.00 179.45 178.98 3h0u h SER 223 N 0.58 1.00 -0.50 4.20 0.02 -0.93 0.82 113.55 118.75 3h0u h SER 223 Ca 0.16 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3h0u h SER 223 Cb 0.06 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3h0u h SER 223 CO -0.02 0.76 0.06 0.00 -1.14 0.00 0.00 176.83 176.49 3h0u h ALA 224 N 1.28 0.66 -0.28 3.77 0.00 -0.90 -1.44 119.26 122.35 3h0u h ALA 224 Ca 0.30 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3h0u h ALA 224 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h0u h ALA 224 CO -0.06 0.41 -0.05 0.82 0.00 0.00 0.00 179.25 180.38 3h0u h ILE 225 N 0.71 1.27 -0.86 0.00 2.04 -1.04 -3.02 117.51 116.61 3h0u h ILE 225 Ca 0.15 -1.04 0.09 0.00 1.00 0.00 0.00 64.86 65.06 3h0u h ILE 225 Cb 0.42 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 3h0u h ILE 225 CO 0.01 0.33 0.51 0.78 0.00 0.00 0.00 178.15 179.78 3h0u h ASN 226 N 0.29 0.75 -0.26 1.72 2.35 -0.72 -1.82 115.58 117.89 3h0u h ASN 226 Ca 0.07 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3h0u h ASN 226 Cb 0.51 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3h0u h ASN 226 CO 0.02 0.43 0.17 0.00 -1.65 0.00 0.00 177.43 176.41 3h0u h ALA 227 N 1.46 1.80 0.01 -0.83 0.00 -1.13 -0.02 119.26 120.54 3h0u h ALA 227 Ca 0.41 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 55.05 3h0u h ALA 227 Cb 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3h0u h ALA 227 CO -0.23 0.18 -1.28 0.82 0.00 0.00 0.00 179.25 178.74 3h0u h ILE 228 N 0.36 1.38 -0.00 0.00 1.08 -1.38 -3.40 117.51 115.54 3h0u h ILE 228 Ca 0.10 -3.14 0.00 0.00 -0.39 0.00 0.00 64.86 61.42 3h0u h ILE 228 Cb -0.03 2.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 3h0u h ILE 228 CO -0.02 0.80 -0.19 -1.54 -0.69 0.00 0.00 178.15 176.51 3h0u n SER 229 N -3.25 0.95 -4.91 1.72 3.41 -0.74 -4.99 113.62 105.82 3h0u n SER 229 Ca -0.07 -0.97 -0.32 0.00 -0.26 0.00 0.00 58.87 57.25 3h0u n SER 229 Cb 0.98 0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 65.44 3h0u n SER 229 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h0u s LEU 230 N -1.61 4.35 0.83 1.04 1.43 -0.07 -4.98 118.68 119.67 3h0u s LEU 230 Ca 0.06 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 3h0u s LEU 230 Cb 0.06 -2.87 0.09 0.00 0.03 0.00 0.00 46.19 43.51 3h0u s LEU 230 CO 0.21 0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.93 3h0u s PRO 231 N -2.24 1.73 0.64 1.29 0.04 -1.26 -4.94 135.00 130.26 3h0u s PRO 231 Ca 0.32 1.20 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 3h0u s PRO 231 Cb -0.13 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 3h0u s PRO 231 CO 0.23 -2.02 1.14 0.00 0.04 0.00 0.00 177.00 176.39 3h0u s ALA 232 N -2.84 2.46 0.34 8.56 0.00 -1.26 -4.91 121.76 124.12 3h0u s ALA 232 Ca 0.63 0.73 0.06 0.00 0.00 0.00 0.00 51.96 53.38 3h0u s ALA 232 Cb -0.19 -3.37 0.74 0.00 0.00 0.00 0.00 23.12 20.30 3h0u s ALA 232 CO 0.57 -1.26 1.89 -1.35 0.00 0.00 0.00 175.76 175.61 3h0u h PRO 233 N 0.33 0.76 -0.74 0.00 0.11 -2.00 -2.07 132.00 128.39 3h0u h PRO 233 Ca -0.48 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.69 3h0u h PRO 233 Cb 1.27 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 3h0u h PRO 233 CO 0.54 0.50 0.37 0.00 -0.21 0.00 0.00 178.00 179.20 3h0u h ALA 234 N 1.58 1.04 -0.34 -0.75 0.00 -1.99 -0.13 119.26 118.67 3h0u h ALA 234 Ca 0.42 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 3h0u h ALA 234 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3h0u h ALA 234 CO -0.18 -0.05 -0.28 0.93 0.00 0.00 0.00 179.25 179.67 3h0u h GLU 235 N 0.61 0.69 -0.45 0.00 3.07 -1.76 0.12 114.58 116.87 3h0u h GLU 235 Ca 0.37 -0.30 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3h0u h GLU 235 Cb 0.42 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 3h0u h GLU 235 CO -0.29 0.89 0.13 0.28 -1.40 0.00 0.00 179.01 178.63 3h0u h VAL 236 N 0.60 1.23 -0.43 3.13 2.07 -1.10 -1.31 116.25 120.44 3h0u h VAL 236 Ca 0.08 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 3h0u h VAL 236 Cb 0.78 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3h0u h VAL 236 CO 0.06 0.27 -0.16 0.03 0.02 0.00 0.00 177.57 177.80 3h0u h ARG 237 N 0.59 0.81 -0.42 1.57 3.08 -0.84 -1.89 114.38 117.28 3h0u h ARG 237 Ca 0.14 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 3h0u h ARG 237 Cb 0.28 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3h0u h ARG 237 CO -0.00 0.92 0.03 0.00 -1.07 0.00 0.00 179.97 179.84 3h0u h ALA 238 N 1.10 0.57 -0.50 0.04 0.00 -0.80 -1.31 119.26 118.36 3h0u h ALA 238 Ca 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3h0u h ALA 238 Cb 0.66 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3h0u h ALA 238 CO 0.05 0.33 0.28 -0.44 0.00 0.00 0.00 179.25 179.46 3h0u h ASP 239 N 0.57 0.43 -0.57 0.00 3.32 -1.09 -2.27 116.42 116.81 3h0u h ASP 239 Ca 0.12 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3h0u h ASP 239 Cb 0.44 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3h0u h ASP 239 CO 0.02 0.31 0.18 0.00 -1.72 0.00 0.00 179.24 178.02 3h0u h ALA 240 N 1.24 0.75 -0.69 3.45 0.00 -1.12 -2.36 119.26 120.52 3h0u h ALA 240 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h0u h ALA 240 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3h0u h ALA 240 CO -0.11 0.41 0.30 0.00 0.00 0.00 0.00 179.25 179.85 3h0u h ALA 241 N 1.05 0.89 -0.35 0.00 0.00 -0.94 0.69 119.26 120.59 3h0u h ALA 241 Ca 0.19 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3h0u h ALA 241 Cb 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h0u h ALA 241 CO -0.01 0.48 -0.39 1.25 0.00 0.00 0.00 179.25 180.58 3h0u h LEU 242 N 0.97 0.96 -0.42 0.00 5.85 -1.30 -1.20 115.31 120.17 3h0u h LEU 242 Ca 0.23 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.51 3h0u h LEU 242 Cb 0.16 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3h0u h LEU 242 CO -0.02 1.24 0.22 0.15 -0.34 0.00 0.00 178.44 179.68 3h0u h PHE 243 N 0.69 0.40 -0.40 1.25 3.57 -1.20 -1.36 116.94 119.90 3h0u h PHE 243 Ca 0.05 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3h0u h PHE 243 Cb 0.98 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3h0u h PHE 243 CO 0.07 0.21 0.06 1.96 -2.23 0.00 0.00 178.31 178.38 3h0u h GLN 244 N 0.44 0.60 0.38 1.11 4.20 -0.59 0.05 115.11 121.30 3h0u h GLN 244 Ca 0.18 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3h0u h GLN 244 Cb 0.07 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3h0u h GLN 244 CO -0.11 0.57 -0.18 0.37 -0.67 0.00 0.00 178.83 178.81 3h0u h GLN 245 N 0.58 -0.50 0.00 1.46 4.15 -1.05 -3.29 115.11 116.46 3h0u h GLN 245 Ca 0.13 0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.50 3h0u h GLN 245 Cb 0.27 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3h0u h GLN 245 CO 0.00 -0.19 -0.42 -0.07 -1.93 0.00 0.00 178.83 176.23 3h0u h LEU 246 N -0.98 0.00 -1.44 -2.39 4.07 -1.05 -2.38 115.31 111.13 3h0u h LEU 246 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3h0u h LEU 246 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3h0u h LEU 246 CO 0.09 0.42 0.00 1.62 -1.08 0.00 0.00 178.44 179.48 3h0u h VAL 247 N 0.00 0.00 -0.05 1.22 3.04 -1.11 -1.47 116.25 117.88 3h0u h VAL 247 Ca -0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3h0u h VAL 247 Cb 0.77 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3h0u h VAL 247 CO 0.05 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.15 3h0u n ARG 248 N -2.92 2.07 -2.16 4.17 1.74 -0.90 -4.68 116.66 113.97 3h0u n ARG 248 Ca 0.01 -1.56 -0.28 0.00 -0.77 0.00 0.00 57.85 55.24 3h0u n ARG 248 Cb 0.27 -1.47 0.04 0.00 -1.02 0.00 0.00 32.46 30.28 3h0u n ARG 248 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h0u s GLY 249 N -1.95 1.61 0.24 -0.13 0.00 -0.55 -4.89 107.32 101.65 3h0u s GLY 249 Ca 0.33 -0.51 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 3h0u s GLY 249 CO 0.31 -0.19 1.87 0.83 0.00 0.00 0.00 173.10 175.92 3h0u h GLU 250 N -0.38 1.04 -0.29 2.90 5.08 -1.94 -0.78 114.58 120.21 3h0u h GLU 250 Ca -0.45 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 3h0u h GLU 250 Cb 1.25 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3h0u h GLU 250 CO 0.62 0.69 -0.07 0.87 -1.00 0.00 0.00 179.01 180.12 3h0u h LYS 251 N 1.07 0.57 -0.76 2.33 1.57 -1.94 -0.38 116.57 119.03 3h0u h LYS 251 Ca 0.37 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3h0u h LYS 251 Cb 0.07 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3h0u h LYS 251 CO -0.14 0.76 0.41 0.28 -0.57 0.00 0.00 179.45 180.19 3h0u h VAL 252 N 0.33 1.23 -0.46 0.50 2.07 -1.72 -1.47 116.25 116.72 3h0u h VAL 252 Ca 0.07 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3h0u h VAL 252 Cb 0.55 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3h0u h VAL 252 CO 0.03 0.26 0.22 -0.61 0.02 0.00 0.00 177.57 177.49 3h0u h GLN 253 N 1.05 0.43 -0.33 1.57 -0.00 -0.79 0.84 115.11 117.87 3h0u h GLN 253 Ca 0.27 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.85 3h0u h GLN 253 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 3h0u h GLN 253 CO -0.04 0.28 0.05 1.96 0.00 0.00 0.00 178.83 181.08 3h0u h GLN 254 N 0.44 0.55 -0.24 1.69 4.20 -0.86 -0.21 115.11 120.69 3h0u h GLN 254 Ca 0.20 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 3h0u h GLN 254 Cb 0.13 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3h0u h GLN 254 CO -0.15 0.64 -0.53 0.00 -0.67 0.00 0.00 178.83 178.11 3h0u h ARG 255 N 0.38 0.70 -0.32 1.46 3.08 -1.08 -2.13 114.38 116.46 3h0u h ARG 255 Ca 0.10 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 3h0u h ARG 255 Cb 0.36 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3h0u h ARG 255 CO 0.01 1.05 -0.19 1.15 -1.07 0.00 0.00 179.97 180.92 3h0u h THR 256 N 0.54 1.26 -0.66 2.04 2.02 -0.81 -1.07 112.91 116.22 3h0u h THR 256 Ca 0.02 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 66.00 3h0u h THR 256 Cb 1.10 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 3h0u h THR 256 CO 0.11 0.39 0.43 0.00 0.37 0.00 0.00 175.52 176.83 3h0u h ALA 257 N 1.26 0.84 -0.49 6.16 0.00 -0.75 0.16 119.26 126.44 3h0u h ALA 257 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3h0u h ALA 257 Cb 0.62 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3h0u h ALA 257 CO 0.04 0.25 0.09 1.49 0.00 0.00 0.00 179.25 181.13 3h0u h GLU 258 N 0.88 0.80 -0.65 0.00 4.81 -1.07 -1.89 114.58 117.46 3h0u h GLU 258 Ca 0.25 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3h0u h GLU 258 Cb -0.08 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 3h0u h GLU 258 CO -0.06 0.79 0.38 -0.07 -0.73 0.00 0.00 179.01 179.32 3h0u h LEU 259 N 0.67 0.59 -1.06 1.64 3.38 -0.75 -2.34 115.31 117.44 3h0u h LEU 259 Ca 0.15 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3h0u h LEU 259 Cb 0.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3h0u h LEU 259 CO 0.01 0.40 0.63 -0.26 0.09 0.00 0.00 178.44 179.31 3h0u h PHE 260 N 0.73 1.20 -0.20 1.13 0.04 -0.31 -0.78 116.94 118.75 3h0u h PHE 260 Ca 0.27 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 3h0u h PHE 260 Cb 0.10 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 3h0u h PHE 260 CO -0.06 0.75 0.08 0.87 -0.60 0.00 0.00 178.31 179.35 3h0u h LYS 261 N 1.29 0.27 -0.28 1.51 1.57 -0.85 -2.07 116.57 118.01 3h0u h LYS 261 Ca 0.35 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3h0u h LYS 261 Cb -0.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.11 3h0u h LYS 261 CO -0.08 0.22 0.00 1.04 -0.57 0.00 0.00 179.45 180.06 3h0u n GLN 262 N -4.46 1.94 0.00 3.15 6.02 -0.46 -4.92 117.38 118.65 3h0u n GLN 262 Ca -0.00 -1.43 0.00 0.00 -0.01 0.00 0.00 57.00 55.56 3h0u n GLN 262 Cb 0.11 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3h0u n GLN 262 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h0u n GLY 263 N 1.21 1.01 3.59 1.08 0.00 -0.78 -4.49 105.19 106.81 3h0u n GLY 263 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3h0u n GLY 263 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3h0u n PHE 264 N -1.98 1.07 -3.23 1.61 7.35 -0.43 -1.72 117.46 120.13 3h0u n PHE 264 Ca 0.00 0.63 -0.23 0.00 -0.76 0.00 0.00 57.45 57.09 3h0u n PHE 264 Cb 0.00 -2.22 0.03 0.00 0.35 0.00 0.00 39.48 37.65 3h0u n PHE 264 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3h0u n GLN 265 N 0.48 -5.11 -4.18 -4.13 6.02 -1.26 -4.77 117.38 104.43 3h0u n GLN 265 Ca 0.10 0.80 -0.11 0.00 -0.01 0.00 0.00 57.00 57.77 3h0u n GLN 265 Cb 0.36 -5.66 -0.10 0.00 1.02 0.00 0.00 30.24 25.85 3h0u n GLN 265 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3h0u s THR 266 N -3.16 0.57 -1.26 5.09 -4.23 -0.70 -5.08 115.64 106.88 3h0u s THR 266 Ca 0.39 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 58.82 3h0u s THR 266 Cb -0.18 -1.83 0.13 0.00 1.34 0.00 0.00 72.50 71.96 3h0u s THR 266 CO 0.48 -0.73 1.59 -1.14 -0.54 0.00 0.00 174.62 174.28 3h0u n ARG 267 N -0.09 3.30 -1.44 3.99 0.63 -1.26 -4.42 116.66 117.37 3h0u n ARG 267 Ca -0.10 -3.59 0.00 0.00 -0.92 0.00 0.00 57.85 53.24 3h0u n ARG 267 Cb 0.62 -3.22 0.00 0.00 0.45 0.00 0.00 32.46 30.30 3h0u n ARG 267 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h0u n GLY 268 N 4.56 4.34 0.36 5.14 0.00 -1.26 -5.02 105.19 113.31 3h0u n GLY 268 Ca 0.42 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.86 3h0u n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h0u h ALA 269 N 1.00 1.43 -0.33 4.61 0.00 -1.90 -0.26 119.26 123.81 3h0u h ALA 269 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3h0u h ALA 269 Cb 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3h0u h ALA 269 CO 0.00 0.52 0.18 1.15 0.00 0.00 0.00 179.25 181.10 3h0u h THR 270 N 1.11 1.13 0.12 0.00 2.02 -1.87 -0.14 112.91 115.29 3h0u h THR 270 Ca 0.32 -0.35 -0.30 0.00 0.77 0.00 0.00 66.41 66.86 3h0u h THR 270 Cb -0.07 0.76 0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3h0u h THR 270 CO -0.08 0.14 -1.24 -0.33 0.37 0.00 0.00 175.52 174.38 3h0u h GLU 271 N 0.42 0.58 -0.82 6.66 4.39 -1.72 -1.33 114.58 122.77 3h0u h GLU 271 Ca 0.12 -0.79 -0.00 0.00 0.34 0.00 0.00 59.36 59.03 3h0u h GLU 271 Cb 0.05 0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 3h0u h GLU 271 CO -0.02 1.35 0.50 -0.07 -1.16 0.00 0.00 179.01 179.62 3h0u h LEU 272 N 0.26 0.97 -4.92 1.33 3.38 -0.98 -3.22 115.31 112.13 3h0u h LEU 272 Ca -0.18 -0.05 -0.55 0.00 0.09 0.00 0.00 57.88 57.19 3h0u h LEU 272 Cb 1.91 -0.24 -0.42 0.00 0.09 0.00 0.00 40.66 42.00 3h0u h LEU 272 CO 0.23 0.73 -0.79 0.47 0.09 0.00 0.00 178.44 179.18 3h0u n ASP 273 N -4.38 3.98 -0.19 -0.43 8.00 -0.07 -4.92 116.55 118.54 3h0u n ASP 273 Ca 0.09 -3.54 -0.04 0.00 0.71 0.00 0.00 54.79 52.01 3h0u n ASP 273 Cb 0.06 -0.51 0.15 0.00 -0.02 0.00 0.00 41.12 40.79 3h0u n ASP 273 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3h0u h LEU 274 N 2.78 0.90 -0.38 0.64 5.85 -1.25 -2.03 115.31 121.81 3h0u h LEU 274 Ca 0.19 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3h0u h LEU 274 Cb 0.83 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3h0u h LEU 274 CO 0.77 0.84 0.11 1.23 -0.34 0.00 0.00 178.44 181.06 3h0u h GLY 275 N 1.04 0.48 1.01 3.75 0.00 -1.85 -1.98 103.07 105.51 3h0u h GLY 275 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3h0u h GLY 275 CO -0.01 0.01 0.35 -1.80 0.00 0.00 0.00 176.54 175.09 3h0u h ASP 276 N 0.26 0.89 -0.47 0.19 3.58 -1.81 -3.03 116.42 116.03 3h0u h ASP 276 Ca 0.18 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 3h0u h ASP 276 Cb 0.18 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3h0u h ASP 276 CO -0.20 0.75 0.29 0.00 -2.88 0.00 0.00 179.24 177.21 3h0u h ALA 277 N 1.17 1.62 -0.13 -0.78 0.00 -0.67 -2.13 119.26 118.34 3h0u h ALA 277 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3h0u h ALA 277 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h0u h ALA 277 CO -0.03 0.34 -0.12 -0.07 0.00 0.00 0.00 179.25 179.36 3h0u h LEU 278 N 0.65 0.19 -1.41 0.00 3.38 -1.27 -2.10 115.31 114.74 3h0u h LEU 278 Ca 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3h0u h LEU 278 Cb -0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3h0u h LEU 278 CO -0.03 0.33 0.00 1.23 0.09 0.00 0.00 178.44 180.06 3h0u h GLY 279 N 0.68 0.00 -0.14 0.83 0.00 -1.48 -2.83 103.07 100.13 3h0u h GLY 279 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3h0u h GLY 279 CO 0.02 0.00 -0.50 1.42 0.00 0.00 0.00 176.54 177.48 3h0u n HIS 280 N -2.67 0.00 -2.30 5.60 8.25 -0.79 -4.95 115.22 118.36 3h0u n HIS 280 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3h0u n HIS 280 Cb 0.21 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 3h0u n HIS 280 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h0u s LEU 281 N -2.65 4.47 0.24 2.41 1.43 -1.07 -4.97 118.68 118.53 3h0u s LEU 281 Ca 0.17 2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 55.38 3h0u s LEU 281 Cb 0.18 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.67 3h0u s LEU 281 CO 0.63 -0.38 1.50 -1.59 0.23 0.00 0.00 176.35 176.73 3h0u s LYS 282 N -0.99 4.23 0.27 1.70 0.00 -1.26 -4.97 119.74 118.72 3h0u s LYS 282 Ca 0.50 2.37 -0.30 0.00 0.00 0.00 0.00 55.97 58.54 3h0u s LYS 282 Cb -0.35 -3.10 -0.10 0.00 0.00 0.00 0.00 37.83 34.27 3h0u s LYS 282 CO 0.43 -0.50 1.47 0.00 0.00 0.00 0.00 175.35 176.75 3h0u s ALA 283 N 0.25 3.65 -2.45 0.59 0.00 -1.26 -4.96 121.76 117.57 3h0u s ALA 283 Ca 0.62 1.40 0.20 0.00 0.00 0.00 0.00 51.96 54.18 3h0u s ALA 283 Cb -0.43 -3.58 0.16 0.00 0.00 0.00 0.00 23.12 19.27 3h0u s ALA 283 CO 0.41 -0.81 1.12 1.33 0.00 0.00 0.00 175.76 177.81