#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3u h GLU 3 N 0.00 0.00 -0.49 0.11 4.57 -2.02 -3.28 114.58 113.47 3h3u h GLU 3 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 3h3u h GLU 3 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3h3u h GLU 3 CO 0.00 0.00 -0.19 0.82 -1.18 0.00 0.00 179.01 178.46 3h3u h ILE 4 N 0.00 1.27 -0.22 2.32 2.04 -1.99 -3.04 117.51 117.89 3h3u h ILE 4 Ca 0.00 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3h3u h ILE 4 Cb 0.93 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3h3u h ILE 4 CO 0.00 0.46 0.14 -0.07 0.00 0.00 0.00 178.15 178.68 3h3u h LEU 5 N 0.84 0.26 -1.47 1.44 3.38 -1.92 -1.89 115.31 115.95 3h3u h LEU 5 Ca 0.12 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3h3u h LEU 5 Cb 0.75 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3h3u h LEU 5 CO 0.06 0.19 -0.27 0.00 0.09 0.00 0.00 178.44 178.52 3h3u h ALA 6 N 1.85 1.39 0.00 1.53 0.00 -1.70 -2.50 119.26 119.83 3h3u h ALA 6 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h3u h ALA 6 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3h3u h ALA 6 CO -0.02 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.57 3h3u h ARG 7 N 0.00 0.00 -6.73 0.00 3.08 -1.43 -3.34 114.38 105.96 3h3u h ARG 7 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3h3u h ARG 7 Cb 0.53 0.00 0.17 0.00 0.08 0.00 0.00 29.97 30.75 3h3u h ARG 7 CO 0.03 0.00 -0.14 0.00 -1.07 0.00 0.00 179.97 178.80 3h3u n ALA 8 N -1.81 -0.65 -0.28 0.04 0.00 -0.94 -4.75 120.51 112.12 3h3u n ALA 8 Ca 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 3h3u n ALA 8 Cb 0.40 -1.98 0.06 0.00 0.00 0.00 0.00 19.45 17.93 3h3u n ALA 8 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h3u h GLY 9 N 0.05 1.11 1.01 0.00 0.00 -1.89 -1.45 103.07 101.90 3h3u h GLY 9 Ca -0.47 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.42 3h3u h GLY 9 CO 0.47 0.44 0.66 -2.22 0.00 0.00 0.00 176.54 175.89 3h3u h ILE 10 N 1.05 1.25 -0.73 2.60 2.04 -1.90 -2.61 117.51 119.20 3h3u h ILE 10 Ca 0.28 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3h3u h ILE 10 Cb -0.05 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 35.83 3h3u h ILE 10 CO -0.05 0.24 0.00 0.49 0.00 0.00 0.00 178.15 178.83 3h3u n PHE 11 N -4.39 0.98 -0.26 1.37 3.72 -1.08 -4.43 117.46 113.38 3h3u n PHE 11 Ca 0.12 -0.49 -0.12 0.00 -0.05 0.00 0.00 57.45 56.91 3h3u n PHE 11 Cb 0.02 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.63 3h3u n PHE 11 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3h3u n GLN 12 N 1.65 1.63 -0.49 -1.08 7.27 -0.57 -4.84 117.38 120.95 3h3u n GLN 12 Ca 0.24 -1.41 0.00 0.00 0.07 0.00 0.00 57.00 55.91 3h3u n GLN 12 Cb 0.62 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.72 3h3u n GLN 12 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3h3u n GLY 13 N -0.07 0.78 3.65 1.69 0.00 -1.26 -5.05 105.19 104.92 3h3u n GLY 13 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 3h3u n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3u s ALA 18 N 0.00 -2.17 -1.89 4.61 0.00 -1.26 -5.16 121.76 115.89 3h3u s ALA 18 Ca 0.00 1.84 0.22 0.00 0.00 0.00 0.00 51.96 54.02 3h3u s ALA 18 Cb 0.00 -1.65 1.26 0.00 0.00 0.00 0.00 23.12 22.73 3h3u s ALA 18 CO 0.00 -0.19 1.68 0.44 0.00 0.00 0.00 175.76 177.69 3h3u n ILE 19 N 0.81 0.07 1.57 0.00 -6.64 -1.26 -2.85 119.36 111.05 3h3u n ILE 19 Ca -0.03 0.02 0.15 0.00 -1.77 0.00 0.00 62.75 61.12 3h3u n ILE 19 Cb 0.58 -0.67 0.70 0.00 -1.44 0.00 0.00 39.64 38.81 3h3u n ILE 19 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3h3u n ALA 20 N -1.05 2.69 0.67 -1.28 0.00 -1.26 -3.85 120.51 116.42 3h3u n ALA 20 Ca 0.15 -0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.42 3h3u n ALA 20 Cb 0.09 -1.37 0.39 0.00 0.00 0.00 0.00 19.45 18.56 3h3u n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3u n ALA 21 N -0.85 1.84 0.59 0.00 0.00 -1.13 -2.86 120.51 118.11 3h3u n ALA 21 Ca 0.17 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.60 3h3u n ALA 21 Cb 0.24 -1.29 0.30 0.00 0.00 0.00 0.00 19.45 18.71 3h3u n ALA 21 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3h3u n LEU 22 N -1.45 0.00 -4.71 0.00 -0.00 -1.25 -5.17 117.00 104.42 3h3u n LEU 22 Ca 0.05 0.21 -0.31 0.00 -0.00 0.00 0.00 56.01 55.96 3h3u n LEU 22 Cb 0.19 -0.21 0.14 0.00 -0.00 0.00 0.00 43.42 43.54 3h3u n LEU 22 CO 0.16 -0.13 0.69 -0.89 -0.00 0.00 0.00 177.39 177.22 3h3u s THR 23 N -2.42 2.50 -0.34 1.47 2.01 -1.13 -5.26 115.64 112.47 3h3u s THR 23 Ca 0.13 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.18 3h3u s THR 23 Cb 0.08 -2.36 -0.00 0.00 0.01 0.00 0.00 72.50 70.22 3h3u s THR 23 CO 0.16 -0.21 0.20 -1.10 -0.69 0.00 0.00 174.62 172.99 3h3u s GLN 27 N -4.71 3.29 0.31 4.92 1.11 -1.05 -5.19 119.66 118.34 3h3u s GLN 27 Ca 0.65 -0.77 -0.29 0.00 0.01 0.00 0.00 55.36 54.96 3h3u s GLN 27 Cb -0.21 -3.71 -0.11 0.00 -1.01 0.00 0.00 33.01 27.97 3h3u s GLN 27 CO 0.57 -0.50 1.42 -2.14 0.01 0.00 0.00 175.29 174.66 3h3u s PRO 28 N 1.65 4.24 0.01 2.91 0.02 -1.26 -2.59 135.00 139.98 3h3u s PRO 28 Ca 0.05 2.37 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 3h3u s PRO 28 Cb -0.18 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.30 3h3u s PRO 28 CO 0.08 -0.39 0.23 0.08 -0.33 0.00 0.00 177.00 176.67 3h3u s VAL 29 N -0.68 0.08 -0.19 3.83 1.01 0.69 -4.98 120.40 120.15 3h3u s VAL 29 Ca 0.54 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3h3u s VAL 29 Cb -0.43 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.32 3h3u s VAL 29 CO 0.52 -0.37 -0.16 -0.62 0.00 0.00 0.00 175.10 174.47 3h3u s ASP 30 N -1.60 3.37 -0.03 3.32 3.68 -1.26 -1.02 116.67 123.14 3h3u s ASP 30 Ca -0.11 -0.81 -0.02 0.00 2.13 0.00 0.00 52.55 53.74 3h3u s ASP 30 Cb -0.05 -1.43 -0.04 0.00 -1.45 0.00 0.00 42.92 39.96 3h3u s ASP 30 CO 0.01 -0.06 0.13 -0.36 0.13 0.00 0.00 175.17 175.02 3h3u s PHE 31 N 1.29 3.45 0.96 -5.34 0.40 0.15 -4.98 117.98 113.90 3h3u s PHE 31 Ca 0.01 0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 56.51 3h3u s PHE 31 Cb -0.15 -1.81 0.19 0.00 0.51 0.00 0.00 43.02 41.76 3h3u s PHE 31 CO -0.11 0.62 1.29 -2.14 0.70 0.00 0.00 175.22 175.59 3h3u s PRO 32 N -1.71 0.68 0.66 0.24 0.02 -1.26 -0.66 135.00 132.97 3h3u s PRO 32 Ca 0.24 -0.32 -0.17 0.00 0.02 0.00 0.00 61.00 60.77 3h3u s PRO 32 Cb -0.12 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3h3u s PRO 32 CO 0.14 -2.40 1.21 0.50 -0.33 0.00 0.00 177.00 176.12 3h3u s ARG 33 N -5.82 2.55 -0.09 5.54 3.52 -1.26 -3.31 118.95 120.08 3h3u s ARG 33 Ca 0.72 1.79 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 3h3u s ARG 33 Cb -0.05 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.46 3h3u s ARG 33 CO 0.53 -1.52 0.00 0.41 -0.81 0.00 0.00 175.30 173.91 3h3u n GLY 34 N 0.41 0.13 3.75 8.12 0.00 0.41 -4.95 105.19 113.06 3h3u n GLY 34 Ca 0.13 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3h3u n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h3u s HIS 35 N -1.17 3.67 -0.55 1.61 2.46 -1.21 -4.77 115.29 115.34 3h3u s HIS 35 Ca 0.00 1.71 -0.18 0.00 0.47 0.00 0.00 55.06 57.06 3h3u s HIS 35 Cb 0.00 -3.22 0.09 0.00 -0.13 0.00 0.00 32.58 29.32 3h3u s HIS 35 CO 0.00 -0.36 0.61 0.99 -2.47 0.00 0.00 174.74 173.51 3h3u s THR 36 N -0.81 4.95 0.07 0.89 2.01 -1.26 -0.55 115.64 120.93 3h3u s THR 36 Ca 0.46 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 3h3u s THR 36 Cb -0.30 -4.37 -0.13 0.00 0.01 0.00 0.00 72.50 67.71 3h3u s THR 36 CO 0.37 -0.93 1.43 0.58 -0.69 0.00 0.00 174.62 175.38 3h3u h VAL 37 N 5.88 0.00 -4.02 3.82 2.07 -0.86 -3.45 116.25 119.69 3h3u h VAL 37 Ca -0.29 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.05 3h3u h VAL 37 Cb 1.09 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.70 3h3u h VAL 37 CO 1.03 0.00 -0.70 0.72 0.02 0.00 0.00 177.57 178.64 3h3u s PHE 38 N -5.19 0.63 -0.00 1.57 -0.12 -1.22 -4.99 117.98 108.66 3h3u s PHE 38 Ca -0.14 -0.85 0.03 0.00 -0.05 0.00 0.00 56.93 55.91 3h3u s PHE 38 Cb 0.03 -0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 3h3u s PHE 38 CO 0.46 -0.23 -0.05 0.00 -0.05 0.00 0.00 175.22 175.35 3h3u s ALA 39 N -3.08 3.08 -0.25 1.99 0.00 -1.26 -0.92 121.76 121.31 3h3u s ALA 39 Ca 0.03 -0.99 -0.34 0.00 0.00 0.00 0.00 51.96 50.66 3h3u s ALA 39 Cb 0.02 -1.19 -0.10 0.00 0.00 0.00 0.00 23.12 21.85 3h3u s ALA 39 CO -0.05 0.62 2.10 -1.91 0.00 0.00 0.00 175.76 176.51 3h3u n GLU 40 N 1.57 1.53 0.00 0.00 2.13 -1.06 -1.74 120.64 123.07 3h3u n GLU 40 Ca -0.15 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.14 3h3u n GLU 40 Cb 0.53 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.59 3h3u n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h3u n GLY 41 N 5.73 1.28 3.48 8.31 0.00 0.57 -4.95 105.19 119.62 3h3u n GLY 41 Ca 0.33 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 3h3u n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h3u n GLU 42 N 0.00 -0.27 -1.68 1.61 1.02 -0.71 -4.08 120.64 116.53 3h3u n GLU 42 Ca 0.00 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 3h3u n GLU 42 Cb 0.00 -1.98 -0.03 0.00 -0.02 0.00 0.00 31.44 29.41 3h3u n GLU 42 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3h3u n PRO 43 N -2.23 2.84 -3.62 3.49 -0.02 -1.26 -0.41 135.00 133.79 3h3u n PRO 43 Ca 0.08 1.04 -0.38 0.00 -2.02 0.00 0.00 63.50 62.21 3h3u n PRO 43 Cb 0.53 -2.95 -0.11 0.00 -0.02 0.00 0.00 33.50 30.94 3h3u n PRO 43 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h3u s GLY 44 N 3.26 1.89 0.00 -1.23 0.00 -0.68 -4.80 107.32 105.75 3h3u s GLY 44 Ca 0.84 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3h3u s GLY 44 CO 0.39 0.66 0.00 1.34 0.00 0.00 0.00 173.10 175.49 3h3u n ASP 45 N 5.03 1.21 -4.91 1.64 2.03 -1.26 -4.25 116.55 116.04 3h3u n ASP 45 Ca -0.14 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.90 3h3u n ASP 45 Cb 0.51 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.94 3h3u n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3h3u s ARG 46 N -1.30 3.04 0.14 -0.67 0.52 -1.26 -3.38 118.95 116.03 3h3u s ARG 46 Ca 0.00 0.12 0.10 0.00 -0.52 0.00 0.00 55.73 55.44 3h3u s ARG 46 Cb 0.00 -2.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 3h3u s ARG 46 CO 0.00 -0.66 -0.25 -1.17 0.02 0.00 0.00 175.30 173.24 3h3u s LEU 47 N -5.01 2.35 -0.03 2.53 2.96 0.26 -4.63 118.68 117.10 3h3u s LEU 47 Ca 0.53 -0.77 -0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3h3u s LEU 47 Cb -0.11 -1.12 0.03 0.00 0.50 0.00 0.00 46.19 45.49 3h3u s LEU 47 CO 0.46 0.13 0.02 -0.31 -1.32 0.00 0.00 176.35 175.33 3h3u s TYR 48 N -1.26 0.21 -0.13 5.38 1.51 -0.57 -2.03 117.35 120.45 3h3u s TYR 48 Ca 0.14 0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 3h3u s TYR 48 Cb -0.09 -0.38 0.01 0.00 -0.11 0.00 0.00 41.96 41.38 3h3u s TYR 48 CO 0.06 -0.14 -0.22 0.42 -1.11 0.00 0.00 175.55 174.57 3h3u s ILE 49 N 1.25 2.11 -0.04 2.71 1.01 -0.42 -0.83 121.20 126.98 3h3u s ILE 49 Ca -0.07 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.37 3h3u s ILE 49 Cb -0.13 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3h3u s ILE 49 CO -0.03 0.55 0.71 -0.63 0.00 0.00 0.00 174.94 175.55 3h3u s ILE 50 N 0.72 4.99 -0.23 2.92 1.01 -0.44 -1.24 121.20 128.92 3h3u s ILE 50 Ca -0.09 1.48 -0.19 0.00 0.00 0.00 0.00 60.65 61.85 3h3u s ILE 50 Cb -0.16 -4.05 -0.16 0.00 0.01 0.00 0.00 42.46 38.09 3h3u s ILE 50 CO 0.00 0.27 0.01 -0.38 0.00 0.00 0.00 174.94 174.85 3h3u n ILE 51 N 3.59 1.53 -3.84 2.92 5.41 0.89 0.53 119.36 130.39 3h3u n ILE 51 Ca -0.01 -0.15 -0.12 0.00 1.00 0.00 0.00 62.75 63.47 3h3u n ILE 51 Cb 0.51 -1.99 -0.12 0.00 -0.71 0.00 0.00 39.64 37.33 3h3u n ILE 51 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3h3u s SER 52 N -7.07 -0.10 0.00 4.38 1.04 -0.92 -4.50 113.70 106.53 3h3u s SER 52 Ca -0.32 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3h3u s SER 52 Cb 0.09 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3h3u s SER 52 CO 0.55 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.27 3h3u n GLY 53 N 2.68 1.09 3.20 7.32 0.00 -1.26 0.07 105.19 118.29 3h3u n GLY 53 Ca -0.15 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.48 3h3u n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3u s LYS 54 N -1.37 1.20 -0.08 1.61 1.02 -1.26 -3.55 119.74 117.30 3h3u s LYS 54 Ca 0.00 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.17 3h3u s LYS 54 Cb 0.00 -1.25 0.02 0.00 -0.52 0.00 0.00 37.83 36.08 3h3u s LYS 54 CO 0.00 0.32 -0.10 0.08 -0.92 0.00 0.00 175.35 174.73 3h3u s VAL 55 N -0.77 1.04 -0.09 3.17 1.01 0.11 -1.25 120.40 123.62 3h3u s VAL 55 Ca 0.05 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 3h3u s VAL 55 Cb -0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3h3u s VAL 55 CO 0.01 0.35 0.78 -0.54 0.00 0.00 0.00 175.10 175.70 3h3u s LYS 56 N 1.15 4.41 -0.21 2.72 1.02 0.34 -1.85 119.74 127.32 3h3u s LYS 56 Ca -0.06 0.99 -0.06 0.00 0.02 0.00 0.00 55.97 56.87 3h3u s LYS 56 Cb -0.14 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 3h3u s LYS 56 CO -0.02 -0.08 0.02 0.42 -0.92 0.00 0.00 175.35 174.78 3h3u s ILE 57 N 1.26 4.13 0.06 2.17 -1.09 -0.70 -0.38 121.20 126.64 3h3u s ILE 57 Ca 0.40 -0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 58.56 3h3u s ILE 57 Cb -0.18 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 3h3u s ILE 57 CO 0.18 0.41 -0.03 -0.83 -1.23 0.00 0.00 174.94 173.44 3h3u s GLY 58 N 1.05 0.51 -0.01 6.18 0.00 -0.15 -1.12 107.32 113.78 3h3u s GLY 58 Ca 0.03 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3h3u s GLY 58 CO 0.02 -1.34 -0.07 -1.60 0.00 0.00 0.00 173.10 170.11 3h3u s ARG 59 N -3.91 0.57 0.25 2.90 3.52 -0.06 0.40 118.95 122.62 3h3u s ARG 59 Ca 0.08 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.14 3h3u s ARG 59 Cb 0.08 -0.56 -0.09 0.00 -1.56 0.00 0.00 34.95 32.82 3h3u s ARG 59 CO -0.09 0.14 1.28 1.03 -0.81 0.00 0.00 175.30 176.84 3h3u s ARG 60 N -0.10 4.41 0.79 5.12 0.52 -1.26 -1.58 118.95 126.85 3h3u s ARG 60 Ca 0.02 2.07 -0.11 0.00 -0.52 0.00 0.00 55.73 57.19 3h3u s ARG 60 Cb -0.03 -3.15 0.07 0.00 0.52 0.00 0.00 34.95 32.35 3h3u s ARG 60 CO -0.00 -0.17 1.09 0.00 0.02 0.00 0.00 175.30 176.24 3h3u s ALA 61 N -0.48 2.18 0.55 2.13 0.00 0.81 -4.87 121.76 122.07 3h3u s ALA 61 Ca 0.52 -0.01 0.39 0.00 0.00 0.00 0.00 51.96 52.86 3h3u s ALA 61 Cb -0.37 -3.18 2.11 0.00 0.00 0.00 0.00 23.12 21.68 3h3u s ALA 61 CO 0.43 -1.77 2.19 -1.35 0.00 0.00 0.00 175.76 175.26 3h3u h PRO 62 N -1.12 0.00 -0.01 0.00 0.11 -1.96 0.31 132.00 129.33 3h3u h PRO 62 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h3u h PRO 62 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h3u h PRO 62 CO 0.56 0.00 -0.21 -0.40 -0.21 0.00 0.00 178.00 177.74 3h3u n ASP 63 N -2.92 1.28 0.00 -2.05 3.85 -1.26 -4.95 116.55 110.50 3h3u n ASP 63 Ca -0.03 -1.12 0.00 0.00 -0.71 0.00 0.00 54.79 52.94 3h3u n ASP 63 Cb 0.13 0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 3h3u n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h3u n GLY 64 N 1.31 2.25 3.66 6.12 0.00 0.10 -5.06 105.19 113.57 3h3u n GLY 64 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 3h3u n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3u n ARG 65 N -0.07 1.94 -2.29 1.61 1.74 -1.26 -4.52 116.66 113.81 3h3u n ARG 65 Ca 0.00 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.35 3h3u n ARG 65 Cb 0.00 -2.29 -0.03 0.00 -1.02 0.00 0.00 32.46 29.13 3h3u n ARG 65 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3h3u s GLU 66 N -0.90 4.35 -0.10 5.56 2.12 -1.26 -0.13 118.70 128.32 3h3u s GLU 66 Ca 0.64 1.91 0.04 0.00 0.36 0.00 0.00 54.97 57.92 3h3u s GLU 66 Cb -0.65 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.34 3h3u s GLU 66 CO 0.54 -0.42 -0.23 1.21 -0.54 0.00 0.00 175.26 175.82 3h3u s ASN 67 N 1.35 3.00 0.06 -1.70 3.84 -0.62 -4.88 114.94 116.00 3h3u s ASN 67 Ca 0.62 -0.55 -0.29 0.00 0.21 0.00 0.00 52.86 52.85 3h3u s ASN 67 Cb -0.32 -1.37 -0.05 0.00 -0.55 0.00 0.00 41.25 38.96 3h3u s ASN 67 CO 0.28 0.14 0.94 -0.22 -2.79 0.00 0.00 177.10 175.45 3h3u s LEU 68 N 0.44 4.45 -0.06 3.21 2.96 -1.26 -0.89 118.68 127.53 3h3u s LEU 68 Ca -0.17 1.70 -0.06 0.00 -0.22 0.00 0.00 54.13 55.38 3h3u s LEU 68 Cb -0.17 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 3h3u s LEU 68 CO 0.07 -0.12 -0.12 0.18 -1.32 0.00 0.00 176.35 175.05 3h3u n LEU 69 N 3.16 0.69 -3.91 -0.68 4.77 -0.28 -3.87 117.00 116.88 3h3u n LEU 69 Ca 0.03 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 3h3u n LEU 69 Cb 0.50 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 3h3u n LEU 69 CO 0.51 -0.43 -0.21 0.28 -1.33 0.00 0.00 177.39 176.21 3h3u s THR 70 N -1.65 0.11 -0.10 -5.08 -1.32 -1.11 -4.81 115.64 101.68 3h3u s THR 70 Ca -0.10 -0.89 0.01 0.00 -1.21 0.00 0.00 61.69 59.50 3h3u s THR 70 Cb 0.01 -0.61 -0.02 0.00 -1.51 0.00 0.00 72.50 70.37 3h3u s THR 70 CO 0.14 -0.49 -0.12 -0.51 -2.21 0.00 0.00 174.62 171.43 3h3u s ILE 71 N -1.92 3.22 -0.01 5.08 2.07 -1.26 -1.72 121.20 126.66 3h3u s ILE 71 Ca -0.11 -0.63 0.04 0.00 -1.41 0.00 0.00 60.65 58.54 3h3u s ILE 71 Cb -0.05 -2.33 -0.01 0.00 0.13 0.00 0.00 42.46 40.20 3h3u s ILE 71 CO -0.01 0.55 -0.12 -0.04 -1.91 0.00 0.00 174.94 173.41 3h3u s MET 72 N -0.11 0.97 0.00 3.50 -1.94 -0.77 -5.00 119.30 115.95 3h3u s MET 72 Ca -0.01 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 3h3u s MET 72 Cb -0.14 -0.94 0.00 0.00 2.01 0.00 0.00 34.83 35.77 3h3u s MET 72 CO 0.03 0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.70 3h3u n GLY 73 N 2.83 5.03 3.61 -0.03 0.00 -1.26 0.07 105.19 115.44 3h3u n GLY 73 Ca -0.14 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 3h3u n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h3u n PRO 74 N 0.00 0.58 -0.60 1.61 -0.02 -1.23 -2.62 135.00 132.72 3h3u n PRO 74 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3h3u n PRO 74 Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3h3u n PRO 74 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3h3u n SER 75 N -1.46 -1.25 -4.89 2.55 3.41 0.19 -4.94 113.62 107.23 3h3u n SER 75 Ca 0.13 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.44 3h3u n SER 75 Cb 0.49 -2.70 -0.04 0.00 -0.26 0.00 0.00 64.21 61.70 3h3u n SER 75 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h3u s ASP 76 N -1.99 6.52 -0.02 4.04 1.01 -1.08 -3.85 116.67 121.30 3h3u s ASP 76 Ca 0.00 0.74 0.07 0.00 0.71 0.00 0.00 52.55 54.06 3h3u s ASP 76 Cb 0.00 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 3h3u s ASP 76 CO 0.00 -0.08 -0.22 -0.32 0.21 0.00 0.00 175.17 174.76 3h3u s MET 77 N -3.05 1.84 0.02 8.23 -2.45 -1.26 -1.33 119.30 121.29 3h3u s MET 77 Ca 0.44 -0.79 -0.02 0.00 -1.25 0.00 0.00 55.69 54.07 3h3u s MET 77 Cb -0.11 -1.75 -0.02 0.00 1.25 0.00 0.00 34.83 34.20 3h3u s MET 77 CO 0.25 0.46 0.02 -0.59 1.05 0.00 0.00 175.02 176.21 3h3u s PHE 78 N -0.46 0.23 0.00 4.11 -0.12 -0.01 -4.90 117.98 116.82 3h3u s PHE 78 Ca 0.07 -0.50 0.00 0.00 -0.05 0.00 0.00 56.93 56.45 3h3u s PHE 78 Cb -0.09 -0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.12 3h3u s PHE 78 CO -0.00 -0.25 0.00 0.41 -0.05 0.00 0.00 175.22 175.33 3h3u n GLY 79 N 1.33 0.92 0.17 1.99 0.00 -1.26 -1.52 105.19 106.81 3h3u n GLY 79 Ca -0.22 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 3h3u n GLY 79 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h3u h GLU 80 N 0.00 0.58 -0.86 1.61 3.07 -1.91 -3.28 114.58 113.79 3h3u h GLU 80 Ca 0.00 -0.74 0.25 0.00 -0.50 0.00 0.00 59.36 58.37 3h3u h GLU 80 Cb 0.46 0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 3h3u h GLU 80 CO 0.00 1.32 0.62 -0.07 -1.40 0.00 0.00 179.01 179.48 3h3u h LEU 81 N 0.27 0.01 -1.88 1.33 3.38 -1.94 -0.74 115.31 115.73 3h3u h LEU 81 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3h3u h LEU 81 Cb 1.85 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 3h3u h LEU 81 CO 0.22 0.00 -0.11 0.28 0.09 0.00 0.00 178.44 178.92 3h3u h SER 82 N 0.01 0.00 0.30 -0.43 0.02 -1.80 -0.28 113.55 111.36 3h3u h SER 82 Ca 0.41 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 61.02 3h3u h SER 82 Cb 1.63 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.18 3h3u h SER 82 CO -0.01 0.11 -1.62 0.40 -1.14 0.00 0.00 176.83 174.57 3h3u h ILE 83 N 0.00 1.09 0.07 3.27 2.04 -1.35 -3.24 117.51 119.39 3h3u h ILE 83 Ca -0.00 -2.65 -0.36 0.00 1.00 0.00 0.00 64.86 62.85 3h3u h ILE 83 Cb 0.36 2.83 -0.04 0.00 -0.74 0.00 0.00 36.82 39.23 3h3u h ILE 83 CO 0.01 0.84 -2.09 0.49 0.00 0.00 0.00 178.15 177.40 3h3u n PHE 84 N -3.58 0.84 -3.48 1.37 3.01 -1.12 -4.45 117.46 110.06 3h3u n PHE 84 Ca -0.20 0.20 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 3h3u n PHE 84 Cb 1.07 -1.12 -0.08 0.00 -0.01 0.00 0.00 39.48 39.34 3h3u n PHE 84 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3h3u n ASP 85 N -3.30 3.86 -4.52 4.37 2.03 -0.13 -5.10 116.55 113.75 3h3u n ASP 85 Ca -0.33 -3.40 -0.39 0.00 0.52 0.00 0.00 54.79 51.19 3h3u n ASP 85 Cb 1.04 -0.74 0.03 0.00 -0.72 0.00 0.00 41.12 40.74 3h3u n ASP 85 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3h3u n PRO 86 N 1.10 0.75 -2.43 -0.67 -0.02 -1.22 -4.57 135.00 127.95 3h3u n PRO 86 Ca 0.28 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3h3u n PRO 86 Cb 0.39 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3h3u n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3u n GLY 87 N 1.57 0.01 3.74 -1.23 0.00 -1.26 -5.07 105.19 102.96 3h3u n GLY 87 Ca 0.12 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 3h3u n GLY 87 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h3u s PRO 88 N -2.00 2.59 0.10 1.61 0.02 -1.26 -1.69 135.00 134.36 3h3u s PRO 88 Ca 0.00 1.69 -0.31 0.00 0.02 0.00 0.00 61.00 62.40 3h3u s PRO 88 Cb 0.00 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 3h3u s PRO 88 CO 0.00 -1.48 1.40 1.03 -0.33 0.00 0.00 177.00 177.63 3h3u s ARG 89 N -3.75 4.31 0.13 5.54 1.81 0.45 -4.70 118.95 122.75 3h3u s ARG 89 Ca 0.74 2.08 0.27 0.00 -1.72 0.00 0.00 55.73 57.09 3h3u s ARG 89 Cb -0.27 -3.30 0.97 0.00 -0.45 0.00 0.00 34.95 31.90 3h3u s ARG 89 CO 0.40 -0.47 1.83 2.41 -0.68 0.00 0.00 175.30 178.79 3h3u n THR 90 N 4.06 0.38 -4.09 0.02 -1.04 -1.26 -0.31 114.28 112.05 3h3u n THR 90 Ca 0.12 -0.17 -0.13 0.00 -2.04 0.00 0.00 64.05 61.82 3h3u n THR 90 Cb 0.42 -0.56 -0.05 0.00 -1.82 0.00 0.00 70.33 68.32 3h3u n THR 90 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3h3u s SER 91 N -3.95 0.65 -0.01 8.00 1.04 -1.26 -4.81 113.70 113.36 3h3u s SER 91 Ca 0.12 -1.37 0.05 0.00 0.48 0.00 0.00 55.95 55.23 3h3u s SER 91 Cb 0.15 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 3h3u s SER 91 CO 0.57 -1.22 -0.16 -0.44 0.98 0.00 0.00 173.24 172.97 3h3u s SER 92 N -3.19 3.89 -0.24 7.02 0.01 0.16 -2.56 113.70 118.80 3h3u s SER 92 Ca 0.30 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 3h3u s SER 92 Cb 0.00 -0.73 0.03 0.00 0.21 0.00 0.00 66.02 65.53 3h3u s SER 92 CO 0.17 0.31 -0.10 0.00 0.41 0.00 0.00 173.24 174.04 3h3u s ALA 93 N -0.80 2.60 -0.05 1.44 0.00 -0.10 -0.98 121.76 123.88 3h3u s ALA 93 Ca 0.13 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.68 3h3u s ALA 93 Cb -0.11 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 3h3u s ALA 93 CO 0.02 -0.78 -0.23 0.99 0.00 0.00 0.00 175.76 175.76 3h3u s THR 94 N 1.28 1.89 -0.24 0.00 2.01 0.48 -0.08 115.64 120.98 3h3u s THR 94 Ca -0.00 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 3h3u s THR 94 Cb -0.16 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.75 3h3u s THR 94 CO -0.06 0.53 0.93 0.42 -0.69 0.00 0.00 174.62 175.75 3h3u s THR 95 N -0.21 4.75 0.02 -0.82 -4.23 0.29 0.13 115.64 115.56 3h3u s THR 95 Ca -0.01 1.75 -0.23 0.00 -1.18 0.00 0.00 61.69 62.03 3h3u s THR 95 Cb -0.12 -4.21 -0.17 0.00 1.34 0.00 0.00 72.50 69.34 3h3u s THR 95 CO 0.02 -0.15 1.33 0.40 -0.54 0.00 0.00 174.62 175.68 3h3u h ILE 96 N 5.46 1.35 -2.06 2.99 2.04 -1.51 0.12 117.51 125.90 3h3u h ILE 96 Ca -0.21 -1.18 -0.59 0.00 1.00 0.00 0.00 64.86 63.87 3h3u h ILE 96 Cb 1.08 1.96 -0.13 0.00 -0.74 0.00 0.00 36.82 38.98 3h3u h ILE 96 CO 0.93 0.33 -0.52 -0.89 0.00 0.00 0.00 178.15 178.00 3h3u s THR 97 N -4.36 0.76 0.21 -0.27 2.01 -1.25 -4.25 115.64 108.49 3h3u s THR 97 Ca -0.15 -2.00 -0.32 0.00 0.31 0.00 0.00 61.69 59.53 3h3u s THR 97 Cb 0.04 -2.31 -0.15 0.00 0.01 0.00 0.00 72.50 70.09 3h3u s THR 97 CO 0.72 0.00 1.26 -0.62 -0.69 0.00 0.00 174.62 175.29 3h3u n GLU 98 N -1.00 1.56 -4.67 4.92 1.02 -1.26 -4.36 120.64 116.85 3h3u n GLU 98 Ca -0.09 0.56 -0.24 0.00 -0.02 0.00 0.00 57.16 57.37 3h3u n GLU 98 Cb 0.65 -2.11 -0.16 0.00 -0.02 0.00 0.00 31.44 29.80 3h3u n GLU 98 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h3u s VAL 99 N -0.19 1.18 -0.22 2.62 1.01 0.16 -3.98 120.40 120.97 3h3u s VAL 99 Ca 0.70 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3h3u s VAL 99 Cb -0.75 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 34.63 3h3u s VAL 99 CO 0.52 0.35 -0.10 -0.60 0.00 0.00 0.00 175.10 175.26 3h3u s ARG 100 N 0.04 2.96 0.19 2.72 6.06 0.11 0.30 118.95 131.33 3h3u s ARG 100 Ca -0.02 -0.88 0.00 0.00 -2.50 0.00 0.00 55.73 52.33 3h3u s ARG 100 Cb -0.10 -2.87 -0.04 0.00 0.06 0.00 0.00 34.95 32.00 3h3u s ARG 100 CO 0.01 -0.31 0.07 0.00 -2.50 0.00 0.00 175.30 172.57 3h3u s ALA 101 N 1.33 1.24 0.02 6.12 0.00 -0.19 -0.08 121.76 130.21 3h3u s ALA 101 Ca 0.02 -1.64 0.09 0.00 0.00 0.00 0.00 51.96 50.42 3h3u s ALA 101 Cb -0.15 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3h3u s ALA 101 CO -0.07 -0.47 -0.25 0.08 0.00 0.00 0.00 175.76 175.05 3h3u s VAL 102 N -3.92 2.03 0.35 0.00 1.01 -0.37 -0.23 120.40 119.27 3h3u s VAL 102 Ca 0.31 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 61.12 3h3u s VAL 102 Cb 0.07 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 3h3u s VAL 102 CO 0.07 0.42 -0.06 -0.94 0.00 0.00 0.00 175.10 174.59 3h3u s SER 103 N -0.99 3.56 -0.01 3.32 1.04 -1.07 -1.29 113.70 118.26 3h3u s SER 103 Ca 0.11 -1.24 -0.23 0.00 0.48 0.00 0.00 55.95 55.07 3h3u s SER 103 Cb -0.10 -0.32 0.05 0.00 0.10 0.00 0.00 66.02 65.75 3h3u s SER 103 CO 0.01 -0.29 0.50 -0.32 0.98 0.00 0.00 173.24 174.12 3h3u s MET 104 N -3.66 0.92 0.37 4.02 1.75 -0.86 -2.52 119.30 119.31 3h3u s MET 104 Ca 0.33 -0.05 0.08 0.00 -1.25 0.00 0.00 55.69 54.79 3h3u s MET 104 Cb 0.04 0.42 -0.04 0.00 2.84 0.00 0.00 34.83 38.09 3h3u s MET 104 CO 0.16 -0.29 0.19 0.16 -0.65 0.00 0.00 175.02 174.59 3h3u s ASP 105 N -1.49 4.69 0.18 1.11 -4.77 -1.26 0.92 116.67 116.05 3h3u s ASP 105 Ca -0.10 -0.84 -0.13 0.00 -3.30 0.00 0.00 52.55 48.19 3h3u s ASP 105 Cb -0.02 -0.65 0.15 0.00 -1.09 0.00 0.00 42.92 41.31 3h3u s ASP 105 CO 0.04 -0.41 1.77 -0.09 0.70 0.00 0.00 175.17 177.18 3h3u h ARG 106 N 1.43 0.42 -0.10 2.11 2.43 -1.92 0.85 114.38 119.60 3h3u h ARG 106 Ca -0.43 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 3h3u h ARG 106 Cb 1.25 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3h3u h ARG 106 CO 0.64 0.28 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.67 3h3u h ASP 107 N 0.44 0.18 0.47 -3.80 3.32 -1.96 0.68 116.42 115.74 3h3u h ASP 107 Ca 0.23 -0.05 -0.25 0.00 0.02 0.00 0.00 57.03 56.98 3h3u h ASP 107 Cb 0.18 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3h3u h ASP 107 CO -0.19 0.46 -1.07 0.00 -1.72 0.00 0.00 179.24 176.71 3h3u h ALA 108 N 1.56 0.25 0.04 3.45 0.00 -1.79 -3.08 119.26 119.69 3h3u h ALA 108 Ca 0.03 -0.78 -0.25 0.00 0.00 0.00 0.00 54.91 53.90 3h3u h ALA 108 Cb 0.57 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h3u h ALA 108 CO 0.04 0.88 -1.00 1.25 0.00 0.00 0.00 179.25 180.42 3h3u h LEU 109 N 0.16 0.81 -2.05 0.00 5.85 -0.62 -3.15 115.31 116.31 3h3u h LEU 109 Ca -0.10 -0.78 -0.01 0.00 0.84 0.00 0.00 57.88 57.82 3h3u h LEU 109 Cb 1.75 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 3h3u h LEU 109 CO 0.18 1.49 -0.06 -0.09 -0.34 0.00 0.00 178.44 179.62 3h3u h ARG 110 N 0.22 0.00 -0.18 1.25 2.43 -0.97 -2.25 114.38 114.89 3h3u h ARG 110 Ca -0.14 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.87 3h3u h ARG 110 Cb 1.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 3h3u h ARG 110 CO 0.20 0.06 -0.53 0.77 -1.51 0.00 0.00 179.97 178.96 3h3u h SER 111 N 0.00 0.77 0.74 -3.80 0.02 -1.52 -2.09 113.55 107.67 3h3u h SER 111 Ca -0.00 -0.59 -0.06 0.00 -0.84 0.00 0.00 61.79 60.30 3h3u h SER 111 Cb 0.14 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3h3u h SER 111 CO 0.01 1.22 -0.28 -0.25 -1.14 0.00 0.00 176.83 176.40 3h3u h TRP 112 N 0.36 0.00 0.07 3.45 7.01 -1.40 -2.69 115.95 122.74 3h3u h TRP 112 Ca -0.02 0.00 -0.27 0.00 2.11 0.00 0.00 58.89 60.71 3h3u h TRP 112 Cb 1.15 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 28.22 3h3u h TRP 112 CO 0.09 0.28 -1.13 0.82 -2.79 0.00 0.00 178.44 175.71 3h3u h ILE 113 N 0.00 1.34 -0.89 2.65 2.04 -1.38 -1.19 117.51 120.08 3h3u h ILE 113 Ca -0.00 -2.50 0.01 0.00 1.00 0.00 0.00 64.86 63.37 3h3u h ILE 113 Cb 0.72 2.60 -0.05 0.00 -0.74 0.00 0.00 36.82 39.36 3h3u h ILE 113 CO 0.04 0.75 0.59 0.00 0.00 0.00 0.00 178.15 179.53 3h3u h ALA 114 N 0.47 1.37 0.07 1.87 0.00 -1.11 -2.79 119.26 119.14 3h3u h ALA 114 Ca -0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.42 3h3u h ALA 114 Cb 1.80 -0.36 0.03 0.00 0.00 0.00 0.00 17.79 19.26 3h3u h ALA 114 CO 0.21 0.58 -1.17 -0.44 0.00 0.00 0.00 179.25 178.43 3h3u h ASP 115 N 1.20 0.90 -3.28 0.00 5.19 -1.51 -3.43 116.42 115.49 3h3u h ASP 115 Ca 0.33 -0.78 -0.55 0.00 -0.62 0.00 0.00 57.03 55.41 3h3u h ASP 115 Cb -0.12 -0.28 -0.40 0.00 0.18 0.00 0.00 39.33 38.71 3h3u h ASP 115 CO -0.08 1.58 -0.77 -0.13 -3.12 0.00 0.00 179.24 176.73 3h3u s ARG 116 N -3.12 0.78 0.00 3.56 0.52 -0.45 -4.98 118.95 115.26 3h3u s ARG 116 Ca -0.10 -0.65 0.22 0.00 -0.52 0.00 0.00 55.73 54.68 3h3u s ARG 116 Cb 0.06 -2.12 1.12 0.00 0.52 0.00 0.00 34.95 34.53 3h3u s ARG 116 CO 0.93 -0.73 1.69 -0.35 0.02 0.00 0.00 175.30 176.86 3h3u n PRO 117 N 4.96 0.36 -0.10 3.54 -0.04 -1.13 -3.44 135.00 139.14 3h3u n PRO 117 Ca -0.08 0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.47 3h3u n PRO 117 Cb 0.45 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.73 3h3u n PRO 117 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3h3u h GLU 118 N 0.00 0.75 -0.09 0.54 4.11 -1.93 -2.27 114.58 115.68 3h3u h GLU 118 Ca 0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 3h3u h GLU 118 Cb 0.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3h3u h GLU 118 CO 0.00 0.54 -0.23 0.82 0.07 0.00 0.00 179.01 180.20 3h3u h ILE 119 N 0.77 1.21 -0.75 -1.06 2.04 -1.92 -2.38 117.51 115.41 3h3u h ILE 119 Ca 0.20 -0.99 0.18 0.00 1.00 0.00 0.00 64.86 65.25 3h3u h ILE 119 Cb -0.02 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3h3u h ILE 119 CO -0.04 0.30 0.52 0.28 0.00 0.00 0.00 178.15 179.20 3h3u h SER 120 N 0.15 0.24 -0.34 1.72 0.02 -1.65 0.55 113.55 114.24 3h3u h SER 120 Ca 0.03 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 3h3u h SER 120 Cb 0.50 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3h3u h SER 120 CO 0.03 0.11 -0.39 -0.08 -1.14 0.00 0.00 176.83 175.37 3h3u h GLU 121 N 0.25 0.90 -0.04 3.45 4.81 -1.54 -2.26 114.58 120.14 3h3u h GLU 121 Ca 0.37 -0.47 -0.23 0.00 -0.13 0.00 0.00 59.36 58.90 3h3u h GLU 121 Cb 1.09 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.50 3h3u h GLU 121 CO -0.09 1.12 -0.91 1.96 -0.73 0.00 0.00 179.01 180.36 3h3u h GLN 122 N 0.73 0.59 -0.56 1.92 7.50 -0.58 -2.80 115.11 121.90 3h3u h GLN 122 Ca 0.06 -0.58 -0.02 0.00 0.50 0.00 0.00 58.65 58.61 3h3u h GLN 122 Cb 0.97 0.15 -0.03 0.00 0.05 0.00 0.00 27.48 28.63 3h3u h GLN 122 CO 0.09 1.19 0.26 -0.07 -1.50 0.00 0.00 178.83 178.81 3h3u h LEU 123 N 0.36 0.74 -1.08 1.46 3.38 -0.13 -2.27 115.31 117.77 3h3u h LEU 123 Ca -0.08 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3h3u h LEU 123 Cb 1.54 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 3h3u h LEU 123 CO 0.17 0.67 -0.09 -0.07 0.09 0.00 0.00 178.44 179.21 3h3u h LEU 124 N 0.76 0.53 -0.48 1.67 3.38 -1.45 -2.05 115.31 117.66 3h3u h LEU 124 Ca 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h3u h LEU 124 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3h3u h LEU 124 CO -0.02 0.66 0.31 -0.09 0.09 0.00 0.00 178.44 179.38 3h3u h ARG 125 N 0.51 0.64 -0.35 1.13 2.43 -1.19 -0.05 114.38 117.49 3h3u h ARG 125 Ca 0.10 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3h3u h ARG 125 Cb 0.47 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3h3u h ARG 125 CO 0.03 0.44 0.12 0.28 -1.51 0.00 0.00 179.97 179.32 3h3u h VAL 126 N 0.64 1.21 -0.02 0.20 2.07 -0.96 -0.80 116.25 118.59 3h3u h VAL 126 Ca 0.17 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3h3u h VAL 126 Cb -0.05 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3h3u h VAL 126 CO -0.04 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.72 3h3u h LEU 127 N 0.42 0.03 -1.74 2.57 3.38 -1.32 -1.63 115.31 117.01 3h3u h LEU 127 Ca 0.11 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.92 3h3u h LEU 127 Cb 0.24 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3h3u h LEU 127 CO -0.00 0.27 0.34 0.00 0.09 0.00 0.00 178.44 179.14 3h3u h ALA 128 N 0.75 2.09 0.15 1.53 0.00 -0.91 0.95 119.26 123.81 3h3u h ALA 128 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3h3u h ALA 128 Cb 0.26 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.02 3h3u h ALA 128 CO 0.00 -0.20 -1.27 -0.09 0.00 0.00 0.00 179.25 177.69 3h3u h ARG 129 N 0.29 0.60 -0.60 0.00 2.43 -1.01 -2.01 114.38 114.08 3h3u h ARG 129 Ca 0.23 -0.84 0.02 0.00 -0.81 0.00 0.00 59.98 58.58 3h3u h ARG 129 Cb 0.53 0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 3h3u h ARG 129 CO -0.05 1.39 0.37 0.00 -1.51 0.00 0.00 179.97 180.17 3h3u h ARG 130 N 0.22 0.72 -1.00 0.20 3.08 -0.68 -1.67 114.38 115.26 3h3u h ARG 130 Ca -0.20 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.82 3h3u h ARG 130 Cb 1.95 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.79 3h3u h ARG 130 CO 0.24 0.48 0.66 1.25 -1.07 0.00 0.00 179.97 181.53 3h3u h LEU 131 N 0.74 1.15 -0.36 3.04 5.85 -0.81 -1.61 115.31 123.31 3h3u h LEU 131 Ca 0.24 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 3h3u h LEU 131 Cb 0.00 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3h3u h LEU 131 CO -0.09 0.83 -0.19 -0.09 -0.34 0.00 0.00 178.44 178.56 3h3u h ARG 132 N 1.35 0.76 -0.58 1.25 2.43 -1.00 -2.56 114.38 116.03 3h3u h ARG 132 Ca 0.37 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3h3u h ARG 132 Cb -0.15 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3h3u h ARG 132 CO -0.08 0.96 0.17 0.00 -1.51 0.00 0.00 179.97 179.50 3h3u h ARG 133 N 0.55 0.88 -0.10 0.20 3.08 -0.97 -0.67 114.38 117.34 3h3u h ARG 133 Ca 0.08 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 3h3u h ARG 133 Cb 0.74 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3h3u h ARG 133 CO 0.06 0.77 -0.41 1.15 -1.07 0.00 0.00 179.97 180.46 3h3u h THR 134 N 0.85 1.31 -0.13 2.04 2.02 -1.24 -1.68 112.91 116.07 3h3u h THR 134 Ca 0.19 -1.52 -0.14 0.00 0.77 0.00 0.00 66.41 65.72 3h3u h THR 134 Cb 0.27 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3h3u h THR 134 CO -0.01 0.45 -0.51 0.78 0.37 0.00 0.00 175.52 176.60 3h3u h ASN 135 N 0.19 0.39 -0.46 4.18 2.35 -0.96 -2.16 115.58 119.11 3h3u h ASN 135 Ca 0.02 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.45 3h3u h ASN 135 Cb 0.81 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3h3u h ASN 135 CO 0.06 0.84 -0.18 0.78 -1.65 0.00 0.00 177.43 177.28 3h3u h ASN 136 N 0.28 0.98 -0.66 5.81 2.35 -0.78 -2.30 115.58 121.26 3h3u h ASN 136 Ca 0.01 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.37 3h3u h ASN 136 Cb 1.00 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 3h3u h ASN 136 CO 0.09 1.14 0.27 0.78 -1.65 0.00 0.00 177.43 178.05 3h3u h ASN 137 N 0.84 0.92 -0.93 5.81 2.35 -1.22 0.34 115.58 123.69 3h3u h ASN 137 Ca 0.12 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3h3u h ASN 137 Cb 0.75 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 3h3u h ASN 137 CO 0.06 0.84 0.60 -0.07 -1.65 0.00 0.00 177.43 177.21 3h3u h LEU 138 N 0.94 1.00 -0.41 1.61 3.38 -1.31 0.11 115.31 120.63 3h3u h LEU 138 Ca 0.22 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 3h3u h LEU 138 Cb 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3h3u h LEU 138 CO -0.02 0.68 -0.56 0.00 0.09 0.00 0.00 178.44 178.63 3h3u h ALA 139 N 1.39 0.59 -0.48 1.53 0.00 -0.98 -3.13 119.26 118.17 3h3u h ALA 139 Ca 0.38 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3h3u h ALA 139 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h3u h ALA 139 CO -0.13 0.69 0.07 -0.44 0.00 0.00 0.00 179.25 179.44 3h3u h ASP 140 N 0.53 0.78 -0.16 0.00 3.32 -0.62 0.96 116.42 121.22 3h3u h ASP 140 Ca 0.01 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 56.84 3h3u h ASP 140 Cb 1.14 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3h3u h ASP 140 CO 0.11 0.85 0.19 0.25 -1.72 0.00 0.00 179.24 178.92 3h3u h LEU 141 N 0.68 0.00 0.00 1.55 5.85 -0.75 0.42 115.31 123.06 3h3u h LEU 141 Ca 0.15 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.63 3h3u h LEU 141 Cb 0.41 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3h3u h LEU 141 CO 0.01 0.00 -1.89 -0.38 -0.34 0.00 0.00 178.44 175.84 3h3u n ILE 142 N -3.76 0.89 0.46 4.05 5.41 -1.05 -4.71 119.36 120.65 3h3u n ILE 142 Ca 0.01 -0.47 0.05 0.00 1.00 0.00 0.00 62.75 63.34 3h3u n ILE 142 Cb 0.31 -0.82 -0.06 0.00 -0.71 0.00 0.00 39.64 38.35 3h3u n ILE 142 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3h3u n PHE 143 N -2.66 0.00 -4.64 1.39 3.01 0.31 -4.96 117.46 109.90 3h3u n PHE 143 Ca -0.24 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.89 3h3u n PHE 143 Cb 0.87 -0.02 -0.13 0.00 -0.01 0.00 0.00 39.48 40.19 3h3u n PHE 143 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3h3u s THR 144 N -2.03 3.38 1.05 4.37 2.01 0.13 -5.01 115.64 119.52 3h3u s THR 144 Ca 0.03 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 3h3u s THR 144 Cb 0.08 -2.44 0.21 0.00 0.01 0.00 0.00 72.50 70.36 3h3u s THR 144 CO 0.43 0.52 1.10 1.51 -0.69 0.00 0.00 174.62 177.48 3h3u s ASP 145 N 0.28 2.22 0.08 3.53 -4.77 -1.26 -4.68 116.67 112.07 3h3u s ASP 145 Ca -0.07 1.07 -0.22 0.00 -3.30 0.00 0.00 52.55 50.03 3h3u s ASP 145 Cb -0.15 -1.67 -0.13 0.00 -1.09 0.00 0.00 42.92 39.88 3h3u s ASP 145 CO 0.04 -3.37 1.64 0.58 0.70 0.00 0.00 175.17 174.77 3h3u h VAL 146 N -2.06 1.11 -0.92 2.11 2.07 -1.97 0.10 116.25 116.70 3h3u h VAL 146 Ca -0.54 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3h3u h VAL 146 Cb 1.33 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3h3u h VAL 146 CO 0.54 0.09 0.52 -0.65 0.02 0.00 0.00 177.57 178.10 3h3u h PRO 147 N 0.00 1.27 -0.44 1.57 0.11 -1.93 -0.05 132.00 132.53 3h3u h PRO 147 Ca 0.03 -0.14 0.03 0.00 0.11 0.00 0.00 66.00 66.04 3h3u h PRO 147 Cb 0.12 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 30.93 3h3u h PRO 147 CO -0.00 0.91 0.22 0.78 -0.21 0.00 0.00 178.00 179.70 3h3u h GLY 148 N 1.28 0.60 1.14 -0.55 0.00 -1.61 -1.29 103.07 102.64 3h3u h GLY 148 Ca 0.33 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 3h3u h GLY 148 CO -0.06 0.11 -0.11 3.21 0.00 0.00 0.00 176.54 179.70 3h3u h ARG 149 N 0.44 1.00 -0.34 4.80 3.08 -0.45 -1.63 114.38 121.29 3h3u h ARG 149 Ca 0.19 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.88 3h3u h ARG 149 Cb 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3h3u h ARG 149 CO -0.13 1.05 0.21 0.28 -1.07 0.00 0.00 179.97 180.30 3h3u h VAL 150 N 0.89 1.05 -0.73 2.04 2.07 -0.75 0.11 116.25 120.94 3h3u h VAL 150 Ca 0.14 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3h3u h VAL 150 Cb 0.66 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3h3u h VAL 150 CO 0.05 0.08 0.37 0.00 0.02 0.00 0.00 177.57 178.09 3h3u h ALA 151 N 1.14 0.94 -0.30 1.67 0.00 -1.14 -2.23 119.26 119.34 3h3u h ALA 151 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h3u h ALA 151 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3h3u h ALA 151 CO -0.05 0.48 -0.03 -0.22 0.00 0.00 0.00 179.25 179.43 3h3u h LYS 152 N 1.01 0.48 -0.19 0.00 3.64 -0.77 -1.56 116.57 119.18 3h3u h LYS 152 Ca 0.25 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3h3u h LYS 152 Cb 0.08 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3h3u h LYS 152 CO -0.04 0.53 -0.15 0.37 -2.27 0.00 0.00 179.45 177.89 3h3u h GLN 153 N 0.45 0.44 -0.99 1.90 5.75 -0.61 -2.31 115.11 119.74 3h3u h GLN 153 Ca 0.10 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3h3u h GLN 153 Cb 0.34 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 3h3u h GLN 153 CO 0.01 0.77 0.65 -0.07 -2.65 0.00 0.00 178.83 177.55 3h3u h LEU 154 N 0.11 1.14 -1.01 -2.39 3.38 -1.12 -0.84 115.31 114.58 3h3u h LEU 154 Ca 0.04 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3h3u h LEU 154 Cb 0.68 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3h3u h LEU 154 CO 0.04 0.83 -0.44 -0.07 0.09 0.00 0.00 178.44 178.90 3h3u h LEU 155 N 1.35 0.13 -0.21 1.67 3.38 -1.25 -1.07 115.31 119.31 3h3u h LEU 155 Ca 0.36 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 58.07 3h3u h LEU 155 Cb -0.14 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3h3u h LEU 155 CO -0.08 0.55 -0.92 1.56 0.09 0.00 0.00 178.44 179.64 3h3u h GLN 156 N 0.10 0.12 0.00 1.13 4.20 -0.89 -2.85 115.11 116.93 3h3u h GLN 156 Ca 0.01 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 3h3u h GLN 156 Cb 0.82 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3h3u h GLN 156 CO 0.06 0.96 -0.57 -0.07 -0.67 0.00 0.00 178.83 178.54 3h3u h LEU 157 N 0.06 0.00 -0.68 1.46 3.38 -0.90 -3.13 115.31 115.50 3h3u h LEU 157 Ca -0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3h3u h LEU 157 Cb 1.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 3h3u h LEU 157 CO 0.13 0.57 -0.64 0.00 0.09 0.00 0.00 178.44 178.59 3h3u h ALA 158 N 1.43 0.90 0.00 1.53 0.00 -1.11 -0.34 119.26 121.67 3h3u h ALA 158 Ca -0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 3h3u h ALA 158 Cb 1.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3h3u h ALA 158 CO 0.07 0.80 -0.23 1.96 0.00 0.00 0.00 179.25 181.85 3h3u h GLN 159 N 0.00 0.00 0.00 0.00 4.20 -1.44 -1.97 115.11 115.90 3h3u h GLN 159 Ca -0.01 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 3h3u h GLN 159 Cb 1.16 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 3h3u h GLN 159 CO 0.08 0.23 -1.84 0.54 -0.67 0.00 0.00 178.83 177.17 3h3u n ARG 160 N -3.70 1.45 -0.62 1.46 1.74 -1.14 -4.69 116.66 111.17 3h3u n ARG 160 Ca -0.01 0.03 0.06 0.00 -0.77 0.00 0.00 57.85 57.15 3h3u n ARG 160 Cb 0.35 -1.31 0.12 0.00 -1.02 0.00 0.00 32.46 30.60 3h3u n ARG 160 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h3u n PHE 161 N -2.62 0.00 -3.61 -1.55 3.01 -0.15 -5.04 117.46 107.49 3h3u n PHE 161 Ca -0.22 -0.94 -0.37 0.00 1.01 0.00 0.00 57.45 56.93 3h3u n PHE 161 Cb 0.86 -0.17 -0.09 0.00 -0.01 0.00 0.00 39.48 40.06 3h3u n PHE 161 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3h3u s GLY 162 N -2.56 2.00 -0.03 1.37 0.00 -0.74 -3.14 107.32 104.22 3h3u s GLY 162 Ca 0.30 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 44.27 3h3u s GLY 162 CO -0.05 0.47 -0.25 -0.51 0.00 0.00 0.00 173.10 172.76 3h3u s THR 163 N 1.10 1.98 0.28 0.90 -4.23 -0.81 -4.96 115.64 109.89 3h3u s THR 163 Ca 0.09 -1.06 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 3h3u s THR 163 Cb -0.14 -1.65 -0.10 0.00 1.34 0.00 0.00 72.50 71.96 3h3u s THR 163 CO 0.05 0.56 1.19 -1.58 -0.54 0.00 0.00 174.62 174.29 3h3u s GLN 164 N -0.49 4.52 -0.37 3.99 2.00 -1.26 0.31 119.66 128.37 3h3u s GLN 164 Ca 0.07 1.95 0.02 0.00 -2.00 0.00 0.00 55.36 55.39 3h3u s GLN 164 Cb -0.10 -3.16 0.15 0.00 0.80 0.00 0.00 33.01 30.69 3h3u s GLN 164 CO 0.00 0.03 0.30 -2.00 -0.50 0.00 0.00 175.29 173.12 3h3u s GLU 165 N -1.30 0.61 6.86 1.67 2.12 -0.61 -4.79 118.70 123.27 3h3u s GLU 165 Ca 0.48 -1.16 0.00 0.00 0.36 0.00 0.00 54.97 54.65 3h3u s GLU 165 Cb -0.35 -1.03 0.00 0.00 0.26 0.00 0.00 34.13 33.02 3h3u s GLU 165 CO 0.44 -1.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 3h3u n GLY 166 N 4.05 2.05 0.09 -1.50 0.00 -1.26 -3.19 105.19 105.43 3h3u n GLY 166 Ca 0.13 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3h3u n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3u n GLY 167 N 0.00 -1.02 3.55 -0.02 0.00 -1.26 -4.92 105.19 101.52 3h3u n GLY 167 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3h3u n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3u s ALA 168 N -2.62 2.93 -0.15 4.61 0.00 -1.19 -4.86 121.76 120.48 3h3u s ALA 168 Ca -0.07 -0.90 -0.28 0.00 0.00 0.00 0.00 51.96 50.72 3h3u s ALA 168 Cb 0.07 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 3h3u s ALA 168 CO 0.83 0.53 0.94 -0.48 0.00 0.00 0.00 175.76 177.57 3h3u s LEU 169 N -0.66 4.19 -0.28 0.00 2.34 -1.23 -1.57 118.68 121.48 3h3u s LEU 169 Ca 0.10 1.35 -0.29 0.00 0.06 0.00 0.00 54.13 55.35 3h3u s LEU 169 Cb -0.11 -3.41 0.01 0.00 -0.56 0.00 0.00 46.19 42.12 3h3u s LEU 169 CO 0.02 -0.46 1.05 -0.60 -1.06 0.00 0.00 176.35 175.30 3h3u s ARG 170 N 2.25 4.14 -0.46 1.48 3.52 0.15 -2.67 118.95 127.36 3h3u s ARG 170 Ca 0.43 1.17 -0.09 0.00 -0.13 0.00 0.00 55.73 57.11 3h3u s ARG 170 Cb -0.17 -3.70 0.11 0.00 -1.56 0.00 0.00 34.95 29.63 3h3u s ARG 170 CO 0.14 -0.78 0.33 0.08 -0.81 0.00 0.00 175.30 174.26 3h3u s VAL 171 N 3.44 4.26 -0.15 7.11 1.01 -0.16 -1.93 120.40 133.98 3h3u s VAL 171 Ca 0.44 -1.67 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 3h3u s VAL 171 Cb -0.13 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3h3u s VAL 171 CO 0.11 -0.71 0.64 -0.89 0.00 0.00 0.00 175.10 174.25 3h3u s THR 172 N 1.39 5.04 0.00 3.92 2.01 -1.19 -2.24 115.64 124.58 3h3u s THR 172 Ca 0.05 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.30 3h3u s THR 172 Cb -0.26 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.29 3h3u s THR 172 CO 0.00 0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.10 3h3u n HIS 173 N 4.55 0.00 -3.47 4.92 1.44 -1.18 -4.82 115.22 116.65 3h3u n HIS 173 Ca -0.02 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.51 3h3u n HIS 173 Cb 0.50 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.70 3h3u n HIS 173 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3h3u n ASP 174 N -0.71 -2.70 -4.31 4.39 8.00 -1.04 -5.02 116.55 115.18 3h3u n ASP 174 Ca 0.00 -0.62 -0.26 0.00 0.71 0.00 0.00 54.79 54.63 3h3u n ASP 174 Cb 0.02 -5.06 -0.13 0.00 -0.02 0.00 0.00 41.12 35.93 3h3u n ASP 174 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h3u s LEU 175 N -6.53 2.28 0.51 0.64 1.43 -1.26 -5.09 118.68 110.67 3h3u s LEU 175 Ca 0.10 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 3h3u s LEU 175 Cb -0.04 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.13 3h3u s LEU 175 CO 0.73 0.11 0.89 -0.89 0.23 0.00 0.00 176.35 177.43 3h3u s THR 176 N -1.07 4.75 -0.15 5.49 2.01 -1.26 -4.74 115.64 120.66 3h3u s THR 176 Ca 0.09 0.69 0.28 0.00 0.31 0.00 0.00 61.69 63.06 3h3u s THR 176 Cb -0.10 -3.81 0.30 0.00 0.01 0.00 0.00 72.50 68.90 3h3u s THR 176 CO 0.04 -0.83 1.84 1.56 -0.69 0.00 0.00 174.62 176.54 3h3u h GLN 177 N 0.43 0.00 0.18 4.92 4.20 -1.99 0.28 115.11 123.13 3h3u h GLN 177 Ca -0.46 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 57.92 3h3u h GLN 177 Cb 1.19 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.98 3h3u h GLN 177 CO 0.62 0.00 -1.57 1.05 -0.67 0.00 0.00 178.83 178.27 3h3u h GLU 178 N 0.00 0.38 -0.29 1.46 4.11 -1.96 -2.99 114.58 115.29 3h3u h GLU 178 Ca 0.00 -0.64 -0.07 0.00 0.07 0.00 0.00 59.36 58.71 3h3u h GLU 178 Cb 0.29 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3h3u h GLU 178 CO 0.00 1.28 -0.13 0.93 0.07 0.00 0.00 179.01 181.16 3h3u h GLU 179 N 0.10 0.49 -0.59 1.06 5.08 -1.50 -1.44 114.58 117.77 3h3u h GLU 179 Ca -0.27 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 57.87 3h3u h GLU 179 Cb 2.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.26 3h3u h GLU 179 CO 0.20 0.61 0.06 0.82 -1.00 0.00 0.00 179.01 179.70 3h3u h ILE 180 N 0.45 1.26 0.00 3.13 2.04 -1.13 -2.23 117.51 121.04 3h3u h ILE 180 Ca 0.08 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 3h3u h ILE 180 Cb 0.50 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3h3u h ILE 180 CO 0.03 0.39 -0.09 0.00 0.00 0.00 0.00 178.15 178.47 3h3u h ALA 181 N 1.00 1.68 0.06 1.87 0.00 -1.14 -1.28 119.26 121.45 3h3u h ALA 181 Ca 0.18 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 3h3u h ALA 181 Cb 0.48 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3h3u h ALA 181 CO 0.02 0.11 -1.14 1.96 0.00 0.00 0.00 179.25 180.20 3h3u h GLN 182 N 0.00 0.63 -0.53 0.00 4.20 -1.04 -1.03 115.11 117.34 3h3u h GLN 182 Ca -0.00 -0.76 0.02 0.00 0.06 0.00 0.00 58.65 57.97 3h3u h GLN 182 Cb 0.18 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3h3u h GLN 182 CO 0.01 1.33 0.32 -0.07 -0.67 0.00 0.00 178.83 179.76 3h3u h LEU 183 N 0.31 0.53 -0.53 1.46 3.38 -0.73 -2.75 115.31 116.99 3h3u h LEU 183 Ca -0.15 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 3h3u h LEU 183 Cb 1.80 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 3h3u h LEU 183 CO 0.22 0.38 -0.72 0.58 0.09 0.00 0.00 178.44 178.98 3h3u h VAL 184 N 0.65 1.48 -0.87 1.22 2.07 -1.30 -3.48 116.25 116.02 3h3u h VAL 184 Ca 0.21 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.36 3h3u h VAL 184 Cb 0.01 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3h3u h VAL 184 CO -0.09 0.69 0.00 0.61 0.02 0.00 0.00 177.57 178.80 3h3u n GLY 185 N 0.54 0.89 3.30 2.17 0.00 -0.44 -4.96 105.19 106.69 3h3u n GLY 185 Ca -0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 3h3u n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3u s ALA 186 N -2.87 1.64 0.58 4.61 0.00 -0.92 -5.05 121.76 119.76 3h3u s ALA 186 Ca 0.00 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 49.98 3h3u s ALA 186 Cb 0.00 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 3h3u s ALA 186 CO 0.00 -0.38 1.35 0.45 0.00 0.00 0.00 175.76 177.18 3h3u s SER 187 N -3.27 5.04 0.43 0.00 0.15 -1.26 -4.61 113.70 110.17 3h3u s SER 187 Ca 0.32 2.74 0.16 0.00 0.70 0.00 0.00 55.95 59.87 3h3u s SER 187 Cb 0.07 -2.63 0.95 0.00 -1.71 0.00 0.00 66.02 62.69 3h3u s SER 187 CO 0.10 -1.72 1.93 0.08 1.20 0.00 0.00 173.24 174.83 3h3u h ARG 188 N 1.17 0.00 0.05 5.44 0.11 -1.93 -1.67 114.38 117.55 3h3u h ARG 188 Ca -0.51 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.57 3h3u h ARG 188 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 3h3u h ARG 188 CO 0.56 0.25 -0.03 0.93 0.10 0.00 0.00 179.97 181.78 3h3u h GLU 189 N 0.00 -0.07 -0.17 0.08 4.39 -1.98 -0.80 114.58 116.04 3h3u h GLU 189 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3h3u h GLU 189 Cb 0.47 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3h3u h GLU 189 CO 0.03 0.08 -0.35 1.79 -1.16 0.00 0.00 179.01 179.40 3h3u h THR 190 N -0.20 1.29 -0.28 1.13 1.35 -1.89 -2.29 112.91 112.02 3h3u h THR 190 Ca -0.01 -1.42 -0.10 0.00 -0.55 0.00 0.00 66.41 64.34 3h3u h THR 190 Cb 0.18 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3h3u h THR 190 CO 0.01 0.43 -0.20 0.58 -0.25 0.00 0.00 175.52 176.09 3h3u h VAL 191 N 0.30 1.30 -0.62 6.82 2.07 -1.24 -2.44 116.25 122.44 3h3u h VAL 191 Ca 0.03 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 3h3u h VAL 191 Cb 0.76 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3h3u h VAL 191 CO 0.06 0.43 0.19 0.78 0.02 0.00 0.00 177.57 179.05 3h3u h ASN 192 N 0.38 0.88 -0.56 0.57 -0.26 -1.05 0.26 115.58 115.81 3h3u h ASN 192 Ca 0.05 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.60 3h3u h ASN 192 Cb 0.75 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.75 3h3u h ASN 192 CO 0.05 0.83 0.18 0.11 -1.06 0.00 0.00 177.43 177.54 3h3u h LYS 193 N 0.92 0.91 -0.21 0.81 1.57 -1.37 -1.05 116.57 118.15 3h3u h LYS 193 Ca 0.20 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 3h3u h LYS 193 Cb 0.27 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3h3u h LYS 193 CO -0.01 0.79 -0.28 0.00 -0.57 0.00 0.00 179.45 179.38 3h3u h ALA 194 N 1.32 0.31 -0.08 3.86 0.00 -0.88 -1.59 119.26 122.21 3h3u h ALA 194 Ca 0.20 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h3u h ALA 194 Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h3u h ALA 194 CO -0.01 0.32 0.04 -0.07 0.00 0.00 0.00 179.25 179.53 3h3u h LEU 195 N 0.23 0.10 -1.16 0.00 3.38 -0.83 -1.99 115.31 115.05 3h3u h LEU 195 Ca 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3h3u h LEU 195 Cb 0.85 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3h3u h LEU 195 CO 0.07 0.20 0.41 0.00 0.09 0.00 0.00 178.44 179.21 3h3u h ALA 196 N 0.90 1.37 -0.88 1.53 0.00 -1.24 -1.16 119.26 119.78 3h3u h ALA 196 Ca 0.03 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3h3u h ALA 196 Cb 0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3h3u h ALA 196 CO -0.00 0.53 0.57 0.22 0.00 0.00 0.00 179.25 180.57 3h3u h ASP 197 N 1.00 0.97 -0.41 0.00 3.58 -1.01 0.11 116.42 120.66 3h3u h ASP 197 Ca 0.26 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.54 3h3u h ASP 197 Cb -0.01 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 3h3u h ASP 197 CO -0.05 0.68 -0.33 -0.26 -2.88 0.00 0.00 179.24 176.41 3h3u h PHE 198 N 1.14 1.13 -0.41 0.28 0.05 -0.73 -2.75 116.94 115.65 3h3u h PHE 198 Ca 0.34 -0.31 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 3h3u h PHE 198 Cb -0.06 -0.25 -0.02 0.00 2.00 0.00 0.00 35.95 37.63 3h3u h PHE 198 CO -0.01 1.14 0.10 0.00 -0.18 0.00 0.00 178.31 179.36 3h3u h ALA 199 N 0.82 0.54 0.00 2.45 0.00 -0.60 -2.07 119.26 120.40 3h3u h ALA 199 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3h3u h ALA 199 Cb 0.91 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3h3u h ALA 199 CO 0.09 0.22 -0.05 0.45 0.00 0.00 0.00 179.25 179.96 3h3u h HIS 200 N 0.52 0.00 0.00 0.00 3.86 -0.80 -2.09 115.15 116.65 3h3u h HIS 200 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3h3u h HIS 200 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3h3u h HIS 200 CO 0.02 0.05 -0.43 0.54 0.86 0.00 0.00 177.93 178.97 3h3u n ARG 201 N -3.24 0.02 -0.65 2.45 1.74 -1.02 -4.93 116.66 111.02 3h3u n ARG 201 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3h3u n ARG 201 Cb 0.24 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3h3u n ARG 201 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3u n GLY 202 N 1.49 0.75 0.16 -0.13 0.00 -0.79 -4.94 105.19 101.73 3h3u n GLY 202 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3h3u n GLY 202 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h3u h TRP 203 N 0.00 0.50 -3.76 1.61 4.06 -1.61 -3.38 115.95 113.37 3h3u h TRP 203 Ca 0.00 -0.07 -0.29 0.00 2.06 0.00 0.00 58.89 60.59 3h3u h TRP 203 Cb 0.00 -0.14 -0.15 0.00 -1.00 0.00 0.00 29.16 27.88 3h3u h TRP 203 CO 0.00 0.58 -0.66 0.96 -3.56 0.00 0.00 178.44 175.76 3h3u s ILE 204 N -5.13 0.68 -0.08 1.49 -4.36 -1.21 -0.68 121.20 111.91 3h3u s ILE 204 Ca -0.13 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.31 3h3u s ILE 204 Cb 0.08 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.69 3h3u s ILE 204 CO 0.75 -0.49 -0.18 -0.13 0.24 0.00 0.00 174.94 175.13 3h3u s ARG 205 N -3.91 2.29 -0.30 0.37 1.81 0.26 -4.23 118.95 115.24 3h3u s ARG 205 Ca 0.24 -0.65 -0.21 0.00 -1.72 0.00 0.00 55.73 53.39 3h3u s ARG 205 Cb 0.06 -1.82 -0.01 0.00 -0.45 0.00 0.00 34.95 32.73 3h3u s ARG 205 CO 0.04 0.14 0.65 -0.51 -0.68 0.00 0.00 175.30 174.94 3h3u s LEU 206 N 0.40 4.12 -0.54 2.53 1.43 -1.26 -1.36 118.68 124.01 3h3u s LEU 206 Ca -0.14 0.51 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3h3u s LEU 206 Cb -0.16 -2.86 0.32 0.00 0.03 0.00 0.00 46.19 43.52 3h3u s LEU 206 CO 0.06 -0.48 0.84 -0.62 0.23 0.00 0.00 176.35 176.38 3h3u n GLU 207 N 5.90 2.52 0.00 1.70 -0.58 0.24 -5.02 120.64 125.39 3h3u n GLU 207 Ca -0.00 -4.44 0.00 0.00 -0.42 0.00 0.00 57.16 52.30 3h3u n GLU 207 Cb 0.49 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 3h3u n GLU 207 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h3u n GLY 208 N 0.15 0.30 0.46 0.62 0.00 -1.26 -0.42 105.19 105.04 3h3u n GLY 208 Ca 0.29 0.67 0.13 0.00 0.00 0.00 0.00 46.02 47.10 3h3u n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h3u n LYS 209 N 0.00 1.33 -4.37 1.61 4.76 -1.26 -4.90 118.16 115.33 3h3u n LYS 209 Ca 0.00 -0.92 -0.24 0.00 -2.87 0.00 0.00 58.31 54.28 3h3u n LYS 209 Cb 0.00 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 31.59 3h3u n LYS 209 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3h3u s SER 210 N -2.31 2.97 -0.05 4.39 0.15 0.44 -2.48 113.70 116.81 3h3u s SER 210 Ca 0.27 -0.86 0.02 0.00 0.70 0.00 0.00 55.95 56.08 3h3u s SER 210 Cb 0.20 -0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 3h3u s SER 210 CO 0.46 0.03 -0.10 -0.69 1.20 0.00 0.00 173.24 174.13 3h3u s VAL 211 N -1.87 0.93 -0.45 4.45 1.01 -0.95 -0.60 120.40 122.93 3h3u s VAL 211 Ca 0.17 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 3h3u s VAL 211 Cb -0.07 -0.86 0.08 0.00 0.00 0.00 0.00 36.38 35.53 3h3u s VAL 211 CO 0.08 0.30 0.34 -0.76 0.00 0.00 0.00 175.10 175.06 3h3u s LEU 212 N 0.52 5.42 -0.86 3.92 1.43 -0.46 -0.99 118.68 127.67 3h3u s LEU 212 Ca -0.10 -1.41 -0.21 0.00 -1.03 0.00 0.00 54.13 51.38 3h3u s LEU 212 Cb -0.13 -2.10 0.09 0.00 0.03 0.00 0.00 46.19 44.08 3h3u s LEU 212 CO 0.02 -0.60 1.16 -0.63 0.23 0.00 0.00 176.35 176.53 3h3u s ILE 213 N 1.55 4.36 -0.03 -0.59 1.01 -1.09 -0.58 121.20 125.83 3h3u s ILE 213 Ca 0.04 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.57 3h3u s ILE 213 Cb -0.24 -4.82 -0.16 0.00 0.01 0.00 0.00 42.46 37.25 3h3u s ILE 213 CO 0.05 -1.61 1.00 0.28 0.00 0.00 0.00 174.94 174.65 3h3u h SER 214 N 9.35 -0.24 -3.59 3.58 0.02 -1.15 -3.26 113.55 118.25 3h3u h SER 214 Ca 0.00 -0.29 -0.74 0.00 -0.84 0.00 0.00 61.79 59.92 3h3u h SER 214 Cb 1.04 0.06 -0.29 0.00 0.14 0.00 0.00 62.40 63.35 3h3u h SER 214 CO 1.21 0.24 -0.22 -0.62 -1.14 0.00 0.00 176.83 176.31 3h3u s ASP 215 N -5.33 6.00 0.12 3.07 -1.08 -0.58 -4.75 116.67 114.11 3h3u s ASP 215 Ca -0.13 -2.31 -0.11 0.00 -0.52 0.00 0.00 52.55 49.47 3h3u s ASP 215 Cb 0.01 -2.07 -0.12 0.00 -1.46 0.00 0.00 42.92 39.29 3h3u s ASP 215 CO 0.50 -0.62 1.34 0.77 0.52 0.00 0.00 175.17 177.68 3h3u h SER 216 N 8.04 0.92 -0.49 -0.34 4.64 -1.85 -3.22 113.55 121.25 3h3u h SER 216 Ca -0.09 -0.57 -0.04 0.00 -0.47 0.00 0.00 61.79 60.61 3h3u h SER 216 Cb 1.04 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 3h3u h SER 216 CO 0.83 1.37 0.17 -0.33 -0.87 0.00 0.00 176.83 178.00 3h3u h GLU 217 N 0.55 0.80 -0.17 4.77 5.08 -1.98 -1.31 114.58 122.32 3h3u h GLU 217 Ca -0.03 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3h3u h GLU 217 Cb 1.34 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3h3u h GLU 217 CO 0.15 0.70 0.01 0.00 -1.00 0.00 0.00 179.01 178.86 3h3u h ARG 218 N 0.78 0.29 -0.47 2.33 2.47 -1.97 0.04 114.38 117.85 3h3u h ARG 218 Ca 0.18 -0.09 0.05 0.00 -1.26 0.00 0.00 59.98 58.86 3h3u h ARG 218 Cb 0.23 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.47 3h3u h ARG 218 CO -0.01 0.50 0.20 -0.07 0.56 0.00 0.00 179.97 181.15 3h3u h LEU 219 N 0.05 0.25 -1.59 3.04 3.38 -1.52 0.19 115.31 119.11 3h3u h LEU 219 Ca 0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h3u h LEU 219 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3h3u h LEU 219 CO 0.01 0.18 0.15 0.00 0.09 0.00 0.00 178.44 178.86 3h3u h ALA 220 N 1.28 1.69 -0.00 1.53 0.00 -1.05 0.50 119.26 123.21 3h3u h ALA 220 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h3u h ALA 220 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h3u h ALA 220 CO -0.19 0.26 -0.08 -2.13 0.00 0.00 0.00 179.25 177.11 3h3u n ARG 221 N -4.44 0.52 -0.00 0.00 0.63 -0.02 -3.22 116.66 110.12 3h3u n ARG 221 Ca 0.01 -0.12 0.08 0.00 -0.92 0.00 0.00 57.85 56.90 3h3u n ARG 221 Cb 0.11 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.42 3h3u n ARG 221 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3h3u n ARG 222 N -1.14 1.22 -0.00 -0.14 3.00 -0.01 -4.50 116.66 115.09 3h3u n ARG 222 Ca 0.14 -0.07 0.02 0.00 -0.00 0.00 0.00 57.85 57.94 3h3u n ARG 222 Cb 0.27 -1.30 -0.12 0.00 0.00 0.00 0.00 32.46 31.31 3h3u n ARG 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h3u n ALA 223 N -1.70 2.17 0.46 5.13 0.00 -0.21 -4.07 120.51 122.29 3h3u n ALA 223 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 53.44 52.80 3h3u n ALA 223 Cb 0.32 -0.74 0.22 0.00 0.00 0.00 0.00 19.45 19.26 3h3u n ALA 223 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39