#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3k s SER 8 N 0.00 0.16 0.02 4.39 1.04 -1.26 -5.03 113.70 113.03 3h3k s SER 8 Ca 0.00 -1.15 -0.21 0.00 0.48 0.00 0.00 55.95 55.07 3h3k s SER 8 Cb 0.00 0.55 -0.06 0.00 0.10 0.00 0.00 66.02 66.61 3h3k s SER 8 CO 0.00 -1.09 0.62 -0.63 0.98 0.00 0.00 173.24 173.12 3h3k s ILE 9 N -3.87 4.83 -0.17 -1.02 1.01 -1.26 -4.64 121.20 116.06 3h3k s ILE 9 Ca 0.28 1.31 -0.04 0.00 0.00 0.00 0.00 60.65 62.20 3h3k s ILE 9 Cb 0.01 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3h3k s ILE 9 CO 0.12 0.44 -0.02 -0.36 0.00 0.00 0.00 174.94 175.12 3h3k s PHE 10 N -0.39 3.03 0.32 3.97 0.08 -0.01 -4.99 117.98 119.99 3h3k s PHE 10 Ca 0.32 -0.38 -0.17 0.00 0.12 0.00 0.00 56.93 56.82 3h3k s PHE 10 Cb -0.19 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.28 3h3k s PHE 10 CO 0.19 -0.13 0.70 1.52 -0.10 0.00 0.00 175.22 177.40 3h3k s TYR 11 N 0.63 0.09 -0.57 0.36 -0.85 -1.26 -0.20 117.35 115.55 3h3k s TYR 11 Ca -0.02 -0.61 -0.27 0.00 -0.52 0.00 0.00 57.07 55.65 3h3k s TYR 11 Cb -0.14 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.85 3h3k s TYR 11 CO 0.02 -1.34 1.54 1.21 -1.52 0.00 0.00 175.55 175.47 3h3k s ASN 12 N -3.01 5.90 0.07 -0.18 3.84 -1.26 -2.41 114.94 117.88 3h3k s ASN 12 Ca 0.15 0.30 0.24 0.00 0.21 0.00 0.00 52.86 53.76 3h3k s ASN 12 Cb -0.05 -2.54 0.96 0.00 -0.55 0.00 0.00 41.25 39.07 3h3k s ASN 12 CO 0.10 -1.89 1.75 0.00 -2.79 0.00 0.00 177.10 174.27 3h3k n GLN 13 N 8.85 0.07 -0.04 0.43 6.02 -0.00 -3.03 117.38 129.68 3h3k n GLN 13 Ca 0.14 0.16 -0.21 0.00 -0.01 0.00 0.00 57.00 57.08 3h3k n GLN 13 Cb 0.50 -1.60 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 3h3k n GLN 13 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h3k h VAL 14 N 0.00 0.98 0.00 5.09 2.07 -1.90 -3.37 116.25 119.12 3h3k h VAL 14 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3h3k h VAL 14 Cb 0.45 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3h3k h VAL 14 CO 0.00 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.77 3h3k n GLY 15 N 1.64 -1.00 3.12 2.17 0.00 -1.17 -4.77 105.19 105.19 3h3k n GLY 15 Ca -0.28 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 3h3k n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h3k s TYR 16 N -2.45 0.94 0.17 1.61 2.02 -0.02 -4.85 117.35 114.78 3h3k s TYR 16 Ca 0.00 -0.51 -0.23 0.00 -0.37 0.00 0.00 57.07 55.95 3h3k s TYR 16 Cb 0.00 -0.54 -0.08 0.00 -0.40 0.00 0.00 41.96 40.94 3h3k s TYR 16 CO 0.00 -0.02 0.75 -0.51 -1.57 0.00 0.00 175.55 174.20 3h3k s LEU 17 N -1.79 4.52 0.25 -1.29 1.43 -1.26 -1.16 118.68 119.39 3h3k s LEU 17 Ca -0.04 1.56 -0.05 0.00 -1.03 0.00 0.00 54.13 54.57 3h3k s LEU 17 Cb -0.09 -3.34 0.50 0.00 0.03 0.00 0.00 46.19 43.30 3h3k s LEU 17 CO 0.01 0.17 1.65 0.40 0.23 0.00 0.00 176.35 178.81 3h3k h ILE 18 N 3.19 0.37 -0.61 -0.59 2.04 -1.78 -1.59 117.51 118.54 3h3k h ILE 18 Ca -0.48 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3h3k h ILE 18 Cb 1.20 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3h3k h ILE 18 CO 0.65 0.03 0.00 -1.54 0.00 0.00 0.00 178.15 177.29 3h3k n SER 19 N -5.28 3.76 -5.01 1.72 3.41 -1.26 -4.63 113.62 106.32 3h3k n SER 19 Ca 0.15 -2.00 -0.18 0.00 -0.26 0.00 0.00 58.87 56.59 3h3k n SER 19 Cb 0.52 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3h3k n SER 19 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3h3k s GLY 20 N -1.18 1.91 0.40 5.00 0.00 -0.60 -5.09 107.32 107.76 3h3k s GLY 20 Ca 0.45 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 43.15 3h3k s GLY 20 CO 0.33 -1.54 1.20 0.99 0.00 0.00 0.00 173.10 174.08 3h3k s ASP 21 N -4.41 6.48 -0.13 1.64 -0.00 -1.26 -4.79 116.67 114.19 3h3k s ASP 21 Ca 0.56 2.41 -0.02 0.00 -0.00 0.00 0.00 52.55 55.51 3h3k s ASP 21 Cb -0.09 -2.62 0.04 0.00 -0.00 0.00 0.00 42.92 40.25 3h3k s ASP 21 CO 0.34 -0.71 -0.00 -0.54 -0.00 0.00 0.00 175.17 174.25 3h3k s LYS 22 N -2.28 0.85 0.01 8.23 1.02 -1.26 -4.72 119.74 121.59 3h3k s LYS 22 Ca 0.57 -0.21 -0.00 0.00 0.02 0.00 0.00 55.97 56.35 3h3k s LYS 22 Cb -0.32 -1.59 -0.01 0.00 -0.52 0.00 0.00 37.83 35.38 3h3k s LYS 22 CO 0.41 -0.44 -0.02 0.50 -0.92 0.00 0.00 175.35 174.88 3h3k s ARG 23 N 1.85 0.19 0.19 1.68 3.52 -1.26 -1.35 118.95 123.77 3h3k s ARG 23 Ca 0.02 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 3h3k s ARG 23 Cb -0.14 0.07 -0.05 0.00 -1.56 0.00 0.00 34.95 33.27 3h3k s ARG 23 CO -0.07 -0.03 -0.08 -0.59 -0.81 0.00 0.00 175.30 173.72 3h3k s PHE 24 N -0.90 1.46 0.07 5.12 -0.12 -0.51 -4.51 117.98 118.59 3h3k s PHE 24 Ca -0.10 -0.77 0.07 0.00 -0.05 0.00 0.00 56.93 56.09 3h3k s PHE 24 Cb -0.06 -0.77 -0.03 0.00 -0.63 0.00 0.00 43.02 41.53 3h3k s PHE 24 CO -0.01 0.11 -0.19 -1.58 -0.05 0.00 0.00 175.22 173.50 3h3k s TRP 25 N -3.27 1.68 -0.00 3.49 0.51 0.72 -1.22 118.94 120.85 3h3k s TRP 25 Ca 0.22 -0.40 -0.06 0.00 -2.12 0.00 0.00 56.10 53.74 3h3k s TRP 25 Cb 0.03 -0.96 0.00 0.00 -0.81 0.00 0.00 33.47 31.72 3h3k s TRP 25 CO 0.04 0.13 0.12 0.96 -0.51 0.00 0.00 176.95 177.69 3h3k s ILE 26 N -0.99 0.08 -0.22 2.03 -4.36 -0.63 -0.83 121.20 116.27 3h3k s ILE 26 Ca 0.06 -0.63 -0.25 0.00 -0.26 0.00 0.00 60.65 59.57 3h3k s ILE 26 Cb -0.09 -0.38 -0.01 0.00 1.25 0.00 0.00 42.46 43.23 3h3k s ILE 26 CO 0.03 -0.34 0.86 -1.10 0.24 0.00 0.00 174.94 174.62 3h3k s GLN 27 N -1.20 4.23 0.28 0.37 -0.21 -1.26 -0.49 119.66 121.38 3h3k s GLN 27 Ca -0.13 1.02 -0.14 0.00 0.02 0.00 0.00 55.36 56.13 3h3k s GLN 27 Cb -0.07 -3.62 0.01 0.00 1.00 0.00 0.00 33.01 30.33 3h3k s GLN 27 CO 0.01 -0.47 0.58 0.00 -2.12 0.00 0.00 175.29 173.29 3h3k s ALA 28 N 2.65 -0.46 -0.02 6.09 0.00 -1.16 -4.95 121.76 123.91 3h3k s ALA 28 Ca 0.37 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.58 3h3k s ALA 28 Cb -0.16 0.97 0.04 0.00 0.00 0.00 0.00 23.12 23.98 3h3k s ALA 28 CO 0.09 -0.91 0.96 -2.39 0.00 0.00 0.00 175.76 173.50 3h3k n HIS 29 N -0.44 0.00 -3.48 0.00 1.44 -1.26 -4.53 115.22 106.95 3h3k n HIS 29 Ca -0.03 -0.50 -0.10 0.00 -2.01 0.00 0.00 57.72 55.09 3h3k n HIS 29 Cb 0.61 -0.06 -0.02 0.00 0.12 0.00 0.00 29.99 30.64 3h3k n HIS 29 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3h3k s GLU 30 N -1.11 1.05 0.39 -1.40 -1.05 -1.26 -5.15 118.70 110.16 3h3k s GLU 30 Ca 0.04 -0.40 -0.27 0.00 -0.15 0.00 0.00 54.97 54.20 3h3k s GLU 30 Cb 0.04 0.48 -0.11 0.00 -0.44 0.00 0.00 34.13 34.10 3h3k s GLU 30 CO 0.00 -0.46 1.35 -2.30 0.95 0.00 0.00 175.26 174.80 3h3k n PRO 31 N -0.31 2.21 -4.21 -4.83 -0.02 -1.26 -4.98 135.00 121.60 3h3k n PRO 31 Ca -0.12 0.78 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 3h3k n PRO 31 Cb 0.63 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 3h3k n PRO 31 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h3k s GLN 32 N -2.10 0.72 0.67 -0.52 -0.21 -1.26 -4.93 119.66 112.04 3h3k s GLN 32 Ca 0.57 -0.71 -0.14 0.00 0.02 0.00 0.00 55.36 55.11 3h3k s GLN 32 Cb -0.51 -0.66 0.01 0.00 1.00 0.00 0.00 33.01 32.85 3h3k s GLN 32 CO 0.61 0.15 1.09 -1.25 -2.12 0.00 0.00 175.29 173.77 3h3k s PRO 33 N -1.23 2.81 0.07 2.91 0.04 -1.26 -1.29 135.00 137.06 3h3k s PRO 33 Ca -0.02 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.17 3h3k s PRO 33 Cb -0.08 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3h3k s PRO 33 CO 0.01 -1.22 0.20 -0.59 0.04 0.00 0.00 177.00 175.43 3h3k s PHE 34 N -2.58 0.11 0.01 0.56 -0.12 -0.18 -4.18 117.98 111.61 3h3k s PHE 34 Ca 0.64 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 57.05 3h3k s PHE 34 Cb -0.18 -0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.16 3h3k s PHE 34 CO 0.45 -0.51 -0.03 0.00 -0.05 0.00 0.00 175.22 175.08 3h3k s ALA 35 N -3.44 0.23 -0.15 1.99 0.00 -0.43 -2.01 121.76 117.96 3h3k s ALA 35 Ca 0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 3h3k s ALA 35 Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3h3k s ALA 35 CO -0.09 -0.04 -0.02 -0.51 0.00 0.00 0.00 175.76 175.10 3h3k s LEU 36 N -0.83 3.36 0.02 0.00 1.02 0.01 -1.07 118.68 121.19 3h3k s LEU 36 Ca -0.07 -0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.05 3h3k s LEU 36 Cb -0.06 -1.81 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 3h3k s LEU 36 CO -0.00 0.20 -0.14 -0.13 0.02 0.00 0.00 176.35 176.30 3h3k s ARG 37 N 0.21 0.98 0.91 1.70 0.52 -0.25 0.17 118.95 123.18 3h3k s ARG 37 Ca -0.01 -0.65 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 3h3k s ARG 37 Cb -0.14 -0.98 0.11 0.00 0.52 0.00 0.00 34.95 34.47 3h3k s ARG 37 CO 0.02 0.25 1.00 0.25 0.02 0.00 0.00 175.30 176.84 3h3k n THR 38 N 2.22 0.33 0.27 0.02 -2.24 -0.67 0.03 114.28 114.24 3h3k n THR 38 Ca -0.16 -0.08 0.14 0.00 -2.27 0.00 0.00 64.05 61.68 3h3k n THR 38 Cb 0.55 -0.95 0.76 0.00 -2.10 0.00 0.00 70.33 68.59 3h3k n THR 38 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3h3k h PRO 39 N -1.67 0.00 -0.35 -0.78 0.13 -1.92 -0.41 132.00 127.00 3h3k h PRO 39 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 3h3k h PRO 39 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3h3k h PRO 39 CO 0.40 0.10 -0.19 1.05 -0.23 0.00 0.00 178.00 179.13 3h3k h GLU 40 N 0.00 0.66 0.00 0.86 9.09 -1.95 -3.48 114.58 119.76 3h3k h GLU 40 Ca -0.00 -0.24 0.00 0.00 0.05 0.00 0.00 59.36 59.17 3h3k h GLU 40 Cb 0.32 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 3h3k h GLU 40 CO 0.01 0.81 0.00 0.41 0.05 0.00 0.00 179.01 180.30 3h3k n GLY 41 N -0.37 0.40 3.73 1.06 0.00 -0.16 -5.13 105.19 104.72 3h3k n GLY 41 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3h3k n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h3k s GLN 42 N 0.00 4.42 -0.06 1.61 0.74 -1.26 -4.63 119.66 120.48 3h3k s GLN 42 Ca 0.00 1.92 -0.30 0.00 0.05 0.00 0.00 55.36 57.04 3h3k s GLN 42 Cb 0.00 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 3h3k s GLN 42 CO 0.00 -0.24 1.40 0.00 -0.55 0.00 0.00 175.29 175.90 3h3k s ALA 43 N 0.52 3.60 -0.23 1.58 0.00 -1.26 -1.67 121.76 124.30 3h3k s ALA 43 Ca 0.58 0.76 0.22 0.00 0.00 0.00 0.00 51.96 53.51 3h3k s ALA 43 Cb -0.33 -3.63 -0.27 0.00 0.00 0.00 0.00 23.12 18.89 3h3k s ALA 43 CO 0.34 -1.07 0.62 0.28 0.00 0.00 0.00 175.76 175.93 3h3k n VAL 44 N 5.01 0.06 -3.62 0.00 0.31 0.13 -4.96 118.33 115.25 3h3k n VAL 44 Ca 0.14 -0.41 -0.15 0.00 -0.01 0.00 0.00 64.34 63.91 3h3k n VAL 44 Cb 0.44 0.14 -0.07 0.00 -0.91 0.00 0.00 33.84 33.44 3h3k n VAL 44 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3h3k s PHE 45 N -3.41 -0.61 -0.05 3.52 5.36 -1.09 -5.00 117.98 116.71 3h3k s PHE 45 Ca -0.04 1.28 -0.09 0.00 -0.96 0.00 0.00 56.93 57.11 3h3k s PHE 45 Cb 0.14 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 43.13 3h3k s PHE 45 CO 0.89 -0.45 0.23 0.00 -1.46 0.00 0.00 175.22 174.42 3h3k s ALA 46 N -0.50 -0.56 0.04 11.12 0.00 -1.26 -0.81 121.76 129.80 3h3k s ALA 46 Ca -0.06 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 3h3k s ALA 46 Cb -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.96 3h3k s ALA 46 CO 0.05 -0.17 0.13 0.41 0.00 0.00 0.00 175.76 176.17 3h3k n GLY 47 N 2.14 1.58 3.32 0.00 0.00 -0.85 -5.01 105.19 106.36 3h3k n GLY 47 Ca -0.18 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 3h3k n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h3k s MET 48 N -2.01 2.17 0.76 1.61 -1.94 -1.26 -1.01 119.30 117.62 3h3k s MET 48 Ca 0.03 -0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 52.98 3h3k s MET 48 Cb -0.01 -2.07 0.05 0.00 2.01 0.00 0.00 34.83 34.81 3h3k s MET 48 CO 0.01 0.55 1.08 0.95 -0.01 0.00 0.00 175.02 177.61 3h3k s THR 49 N -0.59 3.45 -0.01 2.05 -4.23 -0.41 -4.75 115.64 111.15 3h3k s THR 49 Ca 0.09 0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 60.99 3h3k s THR 49 Cb -0.10 -3.14 0.01 0.00 1.34 0.00 0.00 72.50 70.61 3h3k s THR 49 CO -0.01 -0.61 0.17 -1.59 -0.54 0.00 0.00 174.62 172.04 3h3k s LYS 50 N -5.04 0.46 0.35 3.99 -2.85 -0.14 -4.43 119.74 112.08 3h3k s LYS 50 Ca 0.60 -0.25 -0.27 0.00 -1.00 0.00 0.00 55.97 55.05 3h3k s LYS 50 Cb -0.15 0.20 -0.09 0.00 -2.06 0.00 0.00 37.83 35.73 3h3k s LYS 50 CO 0.55 -0.11 1.12 -1.25 0.10 0.00 0.00 175.35 175.76 3h3k s PRO 51 N -1.11 4.34 0.00 1.78 0.04 -1.26 -0.58 135.00 138.21 3h3k s PRO 51 Ca -0.12 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3h3k s PRO 51 Cb -0.06 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.60 3h3k s PRO 51 CO 0.02 -0.05 0.45 1.33 0.04 0.00 0.00 177.00 178.79 3h3k n VAL 52 N 0.54 0.20 0.00 -0.36 0.24 -0.62 -4.88 118.33 113.45 3h3k n VAL 52 Ca 0.02 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3h3k n VAL 52 Cb 0.46 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 3h3k n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h3k n GLY 53 N -0.10 1.15 7.00 7.63 0.00 -1.24 -4.29 105.19 115.35 3h3k n GLY 53 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3h3k n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3k n GLY 54 N 0.95 3.57 2.64 -0.02 0.00 -1.26 -1.90 105.19 109.17 3h3k n GLY 54 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 3h3k n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h3k n ASN 55 N 5.03 3.95 -4.35 1.61 0.23 -1.26 -5.07 115.26 115.40 3h3k n ASN 55 Ca 0.00 -3.54 -0.31 0.00 -0.53 0.00 0.00 54.58 50.20 3h3k n ASN 55 Cb 0.00 -0.52 -0.15 0.00 -2.08 0.00 0.00 39.78 37.03 3h3k n ASN 55 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 3h3k s TRP 56 N -3.38 2.41 0.22 -2.53 0.52 -0.80 -2.98 118.94 112.40 3h3k s TRP 56 Ca 0.45 -0.37 0.10 0.00 0.02 0.00 0.00 56.10 56.30 3h3k s TRP 56 Cb 0.36 -1.52 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 3h3k s TRP 56 CO -0.14 0.02 -0.13 0.71 0.02 0.00 0.00 176.95 177.43 3h3k s TYR 57 N -0.65 2.50 0.08 -1.98 2.02 0.35 -1.60 117.35 118.07 3h3k s TYR 57 Ca 0.11 -0.28 0.07 0.00 -0.37 0.00 0.00 57.07 56.60 3h3k s TYR 57 Cb -0.10 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 3h3k s TYR 57 CO -0.00 0.57 -0.18 0.14 -1.57 0.00 0.00 175.55 174.51 3h3k s VAL 58 N -1.97 1.41 -0.12 0.71 -7.23 0.25 -1.61 120.40 111.84 3h3k s VAL 58 Ca 0.26 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 3h3k s VAL 58 Cb -0.07 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.57 3h3k s VAL 58 CO 0.15 -0.12 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.80 3h3k s GLY 59 N -1.76 1.20 -0.27 2.32 0.00 -0.36 -0.97 107.32 107.48 3h3k s GLY 59 Ca 0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 44.72 43.74 3h3k s GLY 59 CO 0.03 0.10 0.13 -0.35 0.00 0.00 0.00 173.10 173.01 3h3k s ASP 60 N 0.90 5.55 -0.22 1.64 -1.08 -1.26 -1.43 116.67 120.77 3h3k s ASP 60 Ca -0.07 -0.18 0.12 0.00 -0.52 0.00 0.00 52.55 51.90 3h3k s ASP 60 Cb -0.15 -2.02 0.44 0.00 -1.46 0.00 0.00 42.92 39.73 3h3k s ASP 60 CO -0.02 -0.07 1.20 2.22 0.52 0.00 0.00 175.17 179.02 3h3k n PHE 61 N 4.99 1.03 -0.32 -5.34 -1.74 -0.46 -4.87 117.46 110.75 3h3k n PHE 61 Ca -0.15 -1.70 0.09 0.00 -0.56 0.00 0.00 57.45 55.12 3h3k n PHE 61 Cb 0.51 -0.27 0.25 0.00 1.52 0.00 0.00 39.48 41.49 3h3k n PHE 61 CO 0.00 0.00 0.00 1.15 -0.56 0.00 0.00 176.76 177.35 3h3k h THR 62 N 2.21 0.76 0.00 1.97 2.02 -1.87 -2.17 112.91 115.83 3h3k h THR 62 Ca 0.10 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3h3k h THR 62 Cb 1.28 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3h3k h THR 62 CO 0.28 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.31 3h3k n ALA 63 N -2.38 1.79 -2.48 6.16 0.00 -1.26 -4.49 120.51 117.85 3h3k n ALA 63 Ca 0.19 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 3h3k n ALA 63 Cb 0.45 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 3h3k n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h3k s LEU 64 N -2.62 3.78 0.00 0.00 2.96 -0.82 -4.89 118.68 117.08 3h3k s LEU 64 Ca 0.13 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 55.05 3h3k s LEU 64 Cb 0.09 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.30 3h3k s LEU 64 CO 0.22 -1.15 0.72 0.54 -1.32 0.00 0.00 176.35 175.36 3h3k n ARG 65 N 7.51 0.02 -3.19 1.98 5.12 -1.26 -4.94 116.66 121.90 3h3k n ARG 65 Ca 0.14 -0.93 -0.39 0.00 -1.93 0.00 0.00 57.85 54.74 3h3k n ARG 65 Cb 0.47 -1.13 -0.06 0.00 -1.16 0.00 0.00 32.46 30.59 3h3k n ARG 65 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h3k s VAL 66 N -0.56 5.08 0.56 1.55 1.01 -1.26 -4.87 120.40 121.90 3h3k s VAL 66 Ca 0.08 1.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 3h3k s VAL 66 Cb 0.06 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3h3k s VAL 66 CO 0.08 0.18 1.17 -2.16 0.00 0.00 0.00 175.10 174.37 3h3k s PRO 67 N 1.50 3.24 0.00 2.72 0.04 -1.26 -4.87 135.00 136.37 3h3k s PRO 67 Ca 0.27 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3h3k s PRO 67 Cb -0.16 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3h3k s PRO 67 CO 0.11 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.59 3h3k n GLY 68 N 0.32 1.57 3.59 0.56 0.00 -0.12 -4.98 105.19 106.13 3h3k n GLY 68 Ca 0.12 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3h3k n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3k s THR 69 N -1.92 5.08 0.20 2.61 2.01 -1.26 -1.23 115.64 121.14 3h3k s THR 69 Ca 0.00 0.62 0.09 0.00 0.31 0.00 0.00 61.69 62.71 3h3k s THR 69 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3h3k s THR 69 CO 0.00 0.01 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.55 3h3k s TYR 70 N 2.26 2.63 -0.36 4.92 1.51 0.84 -4.12 117.35 125.03 3h3k s TYR 70 Ca 0.19 -0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 55.90 3h3k s TYR 70 Cb -0.16 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 3h3k s TYR 70 CO 0.11 0.54 0.22 0.99 -1.11 0.00 0.00 175.55 176.30 3h3k s THR 71 N -1.84 4.87 -0.15 -0.71 2.01 0.10 -1.10 115.64 118.83 3h3k s THR 71 Ca 0.26 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.43 3h3k s THR 71 Cb -0.08 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 3h3k s THR 71 CO 0.16 -0.14 0.79 -0.22 -0.69 0.00 0.00 174.62 174.51 3h3k s LEU 72 N 1.63 4.20 -0.05 4.42 2.96 0.94 -1.09 118.68 131.68 3h3k s LEU 72 Ca 0.04 1.15 0.04 0.00 -0.22 0.00 0.00 54.13 55.14 3h3k s LEU 72 Cb -0.18 -3.17 -0.00 0.00 0.50 0.00 0.00 46.19 43.34 3h3k s LEU 72 CO 0.08 -0.33 -0.18 0.42 -1.32 0.00 0.00 176.35 175.03 3h3k s THR 73 N 1.83 1.52 -0.09 3.68 -4.23 -0.23 -0.10 115.64 118.02 3h3k s THR 73 Ca 0.37 -0.75 -0.06 0.00 -1.18 0.00 0.00 61.69 60.07 3h3k s THR 73 Cb -0.17 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.39 3h3k s THR 73 CO 0.14 0.44 0.22 0.54 -0.54 0.00 0.00 174.62 175.41 3h3k s VAL 74 N 0.16 -0.02 0.00 2.29 0.11 -0.78 -1.32 120.40 120.84 3h3k s VAL 74 Ca -0.07 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3h3k s VAL 74 Cb -0.13 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 3h3k s VAL 74 CO 0.03 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 3h3k n GLY 75 N 3.54 3.43 1.06 6.54 0.00 -1.26 -0.26 105.19 118.25 3h3k n GLY 75 Ca -0.19 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3h3k n GLY 75 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h3k n THR 76 N 0.00 1.63 -3.71 2.61 -2.24 -1.26 -5.00 114.28 106.31 3h3k n THR 76 Ca 0.00 -1.30 -0.30 0.00 -2.27 0.00 0.00 64.05 60.18 3h3k n THR 76 Cb 0.00 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 3h3k n THR 76 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h3k s LEU 77 N -1.77 4.26 0.00 3.22 1.43 0.64 -5.11 118.68 121.35 3h3k s LEU 77 Ca 0.39 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 3h3k s LEU 77 Cb 0.26 -3.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 3h3k s LEU 77 CO 0.18 0.02 -0.08 -1.61 0.23 0.00 0.00 176.35 175.09 3h3k s GLU 78 N -2.91 0.60 0.06 1.70 2.02 -1.26 -1.86 118.70 117.05 3h3k s GLU 78 Ca 0.39 -0.36 0.02 0.00 0.02 0.00 0.00 54.97 55.05 3h3k s GLU 78 Cb -0.12 -0.55 -0.03 0.00 0.10 0.00 0.00 34.13 33.53 3h3k s GLU 78 CO 0.27 0.15 -0.08 0.00 0.02 0.00 0.00 175.26 175.61 3h3k s ALA 79 N -0.37 0.75 -0.29 5.21 0.00 0.85 -4.88 121.76 123.04 3h3k s ALA 79 Ca 0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3h3k s ALA 79 Cb -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3h3k s ALA 79 CO -0.00 -0.07 0.13 0.50 0.00 0.00 0.00 175.76 176.32 3h3k s ARG 80 N -2.27 3.49 -0.04 0.00 6.06 -1.26 -0.04 118.95 124.89 3h3k s ARG 80 Ca -0.03 -0.61 0.07 0.00 -2.50 0.00 0.00 55.73 52.66 3h3k s ARG 80 Cb -0.05 -3.49 -0.01 0.00 0.06 0.00 0.00 34.95 31.45 3h3k s ARG 80 CO -0.01 -0.32 -0.25 0.14 -2.50 0.00 0.00 175.30 172.36 3h3k s VAL 81 N 1.63 1.99 -0.10 7.11 -7.23 -0.26 -4.97 120.40 118.58 3h3k s VAL 81 Ca 0.05 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 3h3k s VAL 81 Cb -0.16 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3h3k s VAL 81 CO 0.06 0.56 -0.03 0.68 -0.31 0.00 0.00 175.10 176.06 3h3k s VAL 82 N -0.37 4.01 -0.11 1.32 -7.23 -1.26 -0.12 120.40 116.65 3h3k s VAL 82 Ca 0.03 -0.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.88 3h3k s VAL 82 Cb -0.12 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 3h3k s VAL 82 CO 0.01 0.57 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.55 3h3k s ILE 83 N -0.54 2.49 -0.11 -0.62 1.01 -0.36 -0.84 121.20 122.24 3h3k s ILE 83 Ca 0.09 -0.87 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 3h3k s ILE 83 Cb -0.12 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.41 3h3k s ILE 83 CO 0.02 0.55 0.55 -2.28 0.00 0.00 0.00 174.94 173.78 3h3k s HIS 84 N 0.25 -0.54 0.25 3.97 2.46 -0.31 -0.95 115.29 120.42 3h3k s HIS 84 Ca -0.13 1.11 -0.10 0.00 0.47 0.00 0.00 55.06 56.40 3h3k s HIS 84 Cb -0.16 0.26 0.36 0.00 -0.13 0.00 0.00 32.58 32.90 3h3k s HIS 84 CO 0.07 -0.43 1.60 -0.09 -2.47 0.00 0.00 174.74 173.41 3h3k h ARG 85 N 4.13 0.00 -2.08 2.88 2.43 -1.95 -2.93 114.38 116.88 3h3k h ARG 85 Ca -0.28 -0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.32 3h3k h ARG 85 Cb 1.16 -0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.31 3h3k h ARG 85 CO 0.29 0.00 -0.93 0.54 -1.51 0.00 0.00 179.97 178.36 3h3k n ARG 86 N -5.52 1.46 -0.01 0.20 1.74 -1.26 -4.62 116.66 108.65 3h3k n ARG 86 Ca 0.12 -3.79 0.19 0.00 -0.77 0.00 0.00 57.85 53.60 3h3k n ARG 86 Cb 0.42 -1.65 0.66 0.00 -1.02 0.00 0.00 32.46 30.87 3h3k n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h3k h ALA 87 N 3.87 2.41 -0.63 7.54 0.00 -1.79 -2.54 119.26 128.12 3h3k h ALA 87 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h3k h ALA 87 Cb 0.80 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3h3k h ALA 87 CO 0.60 -0.56 0.00 0.66 0.00 0.00 0.00 179.25 179.95 3h3k n TYR 88 N -4.40 1.36 -0.05 0.00 4.01 -1.26 -4.58 117.16 112.24 3h3k n TYR 88 Ca 0.09 -0.61 -0.12 0.00 -0.16 0.00 0.00 57.90 57.11 3h3k n TYR 88 Cb 0.56 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 39.32 3h3k n TYR 88 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3h3k h ARG 89 N 3.90 0.27 -0.34 -0.72 2.43 -1.86 -1.16 114.38 116.90 3h3k h ARG 89 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3h3k h ARG 89 Cb 1.37 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 3h3k h ARG 89 CO 0.20 0.45 0.22 -0.44 -1.51 0.00 0.00 179.97 178.89 3h3k h ASP 90 N 0.04 0.38 -0.27 -3.80 5.19 -1.83 -1.94 116.42 114.20 3h3k h ASP 90 Ca 0.05 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 3h3k h ASP 90 Cb 0.32 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3h3k h ASP 90 CO 0.00 0.28 -0.35 1.62 -3.12 0.00 0.00 179.24 177.67 3h3k h VAL 91 N 0.45 1.28 -0.50 -1.35 3.04 -1.84 -1.25 116.25 116.09 3h3k h VAL 91 Ca 0.13 -1.52 -0.01 0.00 -1.01 0.00 0.00 66.70 64.29 3h3k h VAL 91 Cb -0.05 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 30.60 3h3k h VAL 91 CO -0.03 0.50 0.29 0.25 -1.01 0.00 0.00 177.57 177.57 3h3k h LEU 92 N 0.66 0.61 -0.45 3.16 5.85 -1.17 0.44 115.31 124.42 3h3k h LEU 92 Ca 0.06 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3h3k h LEU 92 Cb 0.91 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3h3k h LEU 92 CO 0.08 0.51 0.27 -0.08 -0.34 0.00 0.00 178.44 178.88 3h3k h GLU 93 N 0.66 0.54 -0.85 1.25 4.81 -1.14 -0.48 114.58 119.38 3h3k h GLU 93 Ca 0.18 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3h3k h GLU 93 Cb 0.02 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3h3k h GLU 93 CO -0.03 0.36 0.51 0.00 -0.73 0.00 0.00 179.01 179.12 3h3k h ALA 94 N 1.19 1.08 -0.32 2.92 0.00 -1.00 0.89 119.26 124.02 3h3k h ALA 94 Ca 0.17 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3h3k h ALA 94 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3h3k h ALA 94 CO -0.07 0.54 -0.19 0.52 0.00 0.00 0.00 179.25 180.05 3h3k h MET 95 N 1.16 0.59 -0.03 0.00 2.86 -0.43 -1.69 114.93 117.39 3h3k h MET 95 Ca 0.30 -0.21 -0.23 0.00 -2.06 0.00 0.00 59.70 57.50 3h3k h MET 95 Cb -0.05 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.58 3h3k h MET 95 CO -0.06 0.75 -0.93 1.25 1.06 0.00 0.00 176.91 178.98 3h3k h LEU 96 N 0.53 0.70 -1.81 1.22 5.85 -0.84 -3.25 115.31 117.71 3h3k h LEU 96 Ca 0.08 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3h3k h LEU 96 Cb 0.63 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3h3k h LEU 96 CO 0.04 1.33 -0.15 0.03 -0.34 0.00 0.00 178.44 179.36 3h3k h ARG 97 N 0.33 0.00 -0.87 1.25 3.08 -0.56 -2.67 114.38 114.94 3h3k h ARG 97 Ca -0.09 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.15 3h3k h ARG 97 Cb 1.56 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.50 3h3k h ARG 97 CO 0.17 0.15 0.39 0.35 -1.07 0.00 0.00 179.97 179.96 3h3k h PHE 98 N 0.00 0.66 -0.53 3.04 3.57 -1.35 -0.65 116.94 121.69 3h3k h PHE 98 Ca -0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3h3k h PHE 98 Cb 0.36 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3h3k h PHE 98 CO 0.00 0.03 0.31 0.74 -2.23 0.00 0.00 178.31 177.16 3h3k h PHE 99 N 0.47 0.57 -0.64 0.41 0.04 -1.65 -1.04 116.94 115.10 3h3k h PHE 99 Ca 0.52 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 61.23 3h3k h PHE 99 Cb 0.90 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.84 3h3k h PHE 99 CO -0.13 0.32 0.11 -0.44 -0.60 0.00 0.00 178.31 177.57 3h3k h ASP 100 N 0.61 1.01 -0.41 2.17 3.32 -1.46 -1.97 116.42 119.70 3h3k h ASP 100 Ca 0.22 -0.26 0.12 0.00 0.02 0.00 0.00 57.03 57.13 3h3k h ASP 100 Cb 0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3h3k h ASP 100 CO -0.11 1.01 0.36 1.88 -1.72 0.00 0.00 179.24 180.66 3h3k h TYR 101 N 0.98 0.00 -0.01 4.55 0.05 -0.56 -1.50 116.97 120.47 3h3k h TYR 101 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3h3k h TYR 101 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 3h3k h TYR 101 CO 0.03 0.00 -0.11 1.04 -1.05 0.00 0.00 178.16 178.07 3h3k n GLN 102 N -4.04 1.15 -1.69 4.88 1.13 -0.45 -4.96 117.38 113.40 3h3k n GLN 102 Ca 0.07 -0.60 -0.43 0.00 -1.94 0.00 0.00 57.00 54.09 3h3k n GLN 102 Cb 0.55 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.39 3h3k n GLN 102 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h3k n LEU 103 N -0.40 3.41 -4.56 1.08 4.77 -0.57 -0.59 117.00 120.14 3h3k n LEU 103 Ca 0.16 1.17 -0.34 0.00 -0.03 0.00 0.00 56.01 56.98 3h3k n LEU 103 Cb 0.32 -1.47 -0.11 0.00 -2.33 0.00 0.00 43.42 39.83 3h3k n LEU 103 CO 0.21 -0.44 -0.37 0.00 -1.33 0.00 0.00 177.39 175.46 3h3k n GLY 105 N 2.52 0.50 2.90 0.00 0.00 -0.82 -2.98 105.19 107.31 3h3k n GLY 105 Ca -0.18 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 3h3k n GLY 105 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h3k s VAL 106 N -2.08 0.06 0.04 1.61 -7.23 -1.26 -4.73 120.40 106.81 3h3k s VAL 106 Ca 0.00 -0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 3h3k s VAL 106 Cb 0.00 -0.10 -0.07 0.00 0.56 0.00 0.00 36.38 36.77 3h3k s VAL 106 CO 0.00 -0.12 1.60 -0.69 -0.31 0.00 0.00 175.10 175.58 3h3k s VAL 107 N -0.37 3.26 -0.40 1.32 1.01 -1.26 -3.95 120.40 120.01 3h3k s VAL 107 Ca -0.04 0.65 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 3h3k s VAL 107 Cb -0.03 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.96 3h3k s VAL 107 CO -0.00 -0.01 0.28 -0.76 0.00 0.00 0.00 175.10 174.61 3h3k s LEU 108 N 2.76 5.04 0.57 3.92 1.43 0.10 -4.96 118.68 127.54 3h3k s LEU 108 Ca 0.72 -0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 3h3k s LEU 108 Cb -0.37 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 3h3k s LEU 108 CO 0.31 -0.44 1.02 -2.16 0.23 0.00 0.00 176.35 175.31 3h3k s PRO 109 N 1.66 3.65 0.40 1.29 0.04 -1.26 -1.43 135.00 139.34 3h3k s PRO 109 Ca 0.04 0.95 0.09 0.00 0.04 0.00 0.00 61.00 62.12 3h3k s PRO 109 Cb -0.19 -2.09 0.81 0.00 0.04 0.00 0.00 34.50 33.08 3h3k s PRO 109 CO 0.09 -0.53 1.96 1.49 0.04 0.00 0.00 177.00 180.06 3h3k h GLU 110 N 0.35 0.34 0.00 4.56 4.81 -1.92 0.32 114.58 123.03 3h3k h GLU 110 Ca -0.46 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3h3k h GLU 110 Cb 1.19 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3h3k h GLU 110 CO 0.60 0.37 -0.06 0.38 -0.73 0.00 0.00 179.01 179.57 3h3k h ASP 111 N 0.33 0.00 0.01 1.04 3.04 -1.93 0.62 116.42 119.54 3h3k h ASP 111 Ca 0.08 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.47 3h3k h ASP 111 Cb 0.23 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.46 3h3k h ASP 111 CO 0.01 0.06 -2.39 -0.62 -2.04 0.00 0.00 179.24 174.25 3h3k n GLU 112 N -3.22 0.64 -0.10 4.15 -0.58 -0.93 -4.75 120.64 115.85 3h3k n GLU 112 Ca -0.00 0.21 0.08 0.00 -0.42 0.00 0.00 57.16 57.02 3h3k n GLU 112 Cb 0.29 -1.54 0.13 0.00 -0.57 0.00 0.00 31.44 29.75 3h3k n GLU 112 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h3k n ALA 113 N -3.48 2.38 -0.35 0.62 0.00 0.11 -5.01 120.51 114.78 3h3k n ALA 113 Ca -0.46 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.12 3h3k n ALA 113 Cb 0.96 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3h3k n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3k n GLY 114 N 0.90 2.65 0.34 0.00 0.00 0.21 -1.59 105.19 107.69 3h3k n GLY 114 Ca 0.12 -0.10 0.18 0.00 0.00 0.00 0.00 46.02 46.22 3h3k n GLY 114 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h3k h PRO 115 N 0.00 0.00 -0.46 1.61 0.11 -1.97 -2.36 132.00 128.92 3h3k h PRO 115 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3h3k h PRO 115 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3h3k h PRO 115 CO 0.00 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 178.70 3h3k n TRP 116 N -3.42 0.61 -1.64 0.65 8.01 -0.62 -4.96 117.44 116.07 3h3k n TRP 116 Ca 0.00 -0.30 -0.40 0.00 -1.31 0.00 0.00 57.50 55.49 3h3k n TRP 116 Cb 0.32 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.65 3h3k n TRP 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3h3k n ALA 117 N 1.35 0.49 -3.55 6.99 0.00 -0.89 -4.99 120.51 119.91 3h3k n ALA 117 Ca 0.20 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 3h3k n ALA 117 Cb 0.56 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 3h3k n ALA 117 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3h3k s HIS 118 N -1.33 -0.41 0.75 0.00 -3.43 -0.51 -4.98 115.29 105.37 3h3k s HIS 118 Ca 0.66 0.15 -0.12 0.00 -0.80 0.00 0.00 55.06 54.96 3h3k s HIS 118 Cb -0.50 0.59 0.04 0.00 -1.43 0.00 0.00 32.58 31.29 3h3k s HIS 118 CO 0.54 -0.89 1.12 0.20 -2.00 0.00 0.00 174.74 173.71 3h3k s GLY 119 N -2.76 1.62 0.13 -1.38 0.00 -1.26 -0.72 107.32 102.94 3h3k s GLY 119 Ca 0.04 -0.41 -0.34 0.00 0.00 0.00 0.00 44.72 44.02 3h3k s GLY 119 CO -0.07 0.00 1.66 0.00 0.00 0.00 0.00 173.10 174.69 3h3k n ALA 120 N -3.16 1.50 -2.70 3.20 0.00 -1.25 -4.69 120.51 113.40 3h3k n ALA 120 Ca 0.07 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 3h3k n ALA 120 Cb 0.58 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 3h3k n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3k n HIS 122 N -1.13 -1.84 0.76 0.00 8.25 -1.26 -1.95 115.22 118.05 3h3k n HIS 122 Ca -0.06 0.80 0.13 0.00 -0.26 0.00 0.00 57.72 58.34 3h3k n HIS 122 Cb 0.59 -3.81 0.47 0.00 1.12 0.00 0.00 29.99 28.36 3h3k n HIS 122 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3h3k n THR 123 N -4.42 0.37 -1.85 1.59 -2.24 -1.26 -4.81 114.28 101.66 3h3k n THR 123 Ca -0.19 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 3h3k n THR 123 Cb 0.63 -0.53 0.03 0.00 -2.10 0.00 0.00 70.33 68.36 3h3k n THR 123 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h3k s SER 124 N -3.96 5.39 0.38 3.42 1.04 -1.26 -5.01 113.70 113.70 3h3k s SER 124 Ca 0.12 1.89 -0.26 0.00 0.48 0.00 0.00 55.95 58.17 3h3k s SER 124 Cb 0.15 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.64 3h3k s SER 124 CO 0.58 -1.44 1.19 -1.81 0.98 0.00 0.00 173.24 172.74 3h3k s ASP 125 N -2.78 6.64 0.17 7.02 1.01 -1.26 -4.84 116.67 122.63 3h3k s ASP 125 Ca 0.65 2.40 -0.10 0.00 0.71 0.00 0.00 52.55 56.21 3h3k s ASP 125 Cb -0.18 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.06 3h3k s ASP 125 CO 0.41 -0.60 0.51 0.00 0.21 0.00 0.00 175.17 175.70 3h3k s ALA 126 N -1.33 3.62 -0.12 5.23 0.00 1.00 -4.58 121.76 125.57 3h3k s ALA 126 Ca 0.54 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 3h3k s ALA 126 Cb -0.33 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 3h3k s ALA 126 CO 0.42 0.52 0.32 0.15 0.00 0.00 0.00 175.76 177.17 3h3k s LYS 127 N -2.42 4.13 0.20 0.00 1.02 -0.58 0.24 119.74 122.33 3h3k s LYS 127 Ca 0.42 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 3h3k s LYS 127 Cb -0.13 -3.37 -0.09 0.00 -0.52 0.00 0.00 37.83 33.72 3h3k s LYS 127 CO 0.20 0.36 1.39 0.08 -0.92 0.00 0.00 175.35 176.47 3h3k s VAL 128 N 0.07 2.96 0.20 3.17 1.01 -0.84 -0.86 120.40 126.12 3h3k s VAL 128 Ca 0.19 0.77 -0.31 0.00 0.00 0.00 0.00 61.98 62.63 3h3k s VAL 128 Cb -0.14 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 3h3k s VAL 128 CO 0.06 0.11 1.56 0.12 0.00 0.00 0.00 175.10 176.95 3h3k s PHE 129 N 0.28 3.00 -0.82 5.22 5.36 -0.43 -2.06 117.98 128.53 3h3k s PHE 129 Ca 0.60 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 3h3k s PHE 129 Cb -0.39 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.35 3h3k s PHE 129 CO 0.38 -3.36 0.00 0.41 -1.46 0.00 0.00 175.22 171.19 3h3k n GLY 130 N 3.26 0.88 3.25 13.12 0.00 -1.26 -4.91 105.19 119.54 3h3k n GLY 130 Ca 0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 3h3k n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h3k s THR 131 N -2.30 0.00 -1.17 2.61 -4.23 -0.88 -5.04 115.64 104.64 3h3k s THR 131 Ca 0.00 -1.93 0.23 0.00 -1.18 0.00 0.00 61.69 58.82 3h3k s THR 131 Cb 0.00 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 3h3k s THR 131 CO 0.00 0.00 1.21 -0.62 -0.54 0.00 0.00 174.62 174.67 3h3k n GLU 132 N -0.32 0.19 -1.84 3.99 -0.58 -1.26 -4.67 120.64 116.16 3h3k n GLU 132 Ca 0.02 -0.14 -0.40 0.00 -0.42 0.00 0.00 57.16 56.23 3h3k n GLU 132 Cb 0.65 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 30.04 3h3k n GLU 132 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3h3k s ARG 133 N -2.90 3.64 0.24 3.49 0.52 -1.26 -4.92 118.95 117.75 3h3k s ARG 133 Ca 0.12 2.35 0.10 0.00 -0.52 0.00 0.00 55.73 57.77 3h3k s ARG 133 Cb 0.17 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 3h3k s ARG 133 CO 0.73 -0.83 -0.06 0.00 0.02 0.00 0.00 175.30 175.17 3h3k s ALA 134 N -1.23 3.04 -0.17 2.13 0.00 -1.26 -1.98 121.76 122.28 3h3k s ALA 134 Ca 0.62 -1.62 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 3h3k s ALA 134 Cb -0.42 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.05 3h3k s ALA 134 CO 0.54 0.33 0.43 -1.17 0.00 0.00 0.00 175.76 175.89 3h3k s LEU 135 N -3.37 0.09 -0.20 0.00 0.20 0.14 -4.90 118.68 110.63 3h3k s LEU 135 Ca 0.29 0.91 -0.19 0.00 0.69 0.00 0.00 54.13 55.83 3h3k s LEU 135 Cb -0.07 1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 47.11 3h3k s LEU 135 CO 0.18 -0.17 0.55 0.00 -0.29 0.00 0.00 176.35 176.61 3h3k s ALA 136 N 0.84 3.55 -0.40 5.97 0.00 -1.26 -0.00 121.76 130.46 3h3k s ALA 136 Ca -0.05 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.60 3h3k s ALA 136 Cb -0.06 -2.86 0.23 0.00 0.00 0.00 0.00 23.12 20.44 3h3k s ALA 136 CO -0.07 -0.49 0.49 0.00 0.00 0.00 0.00 175.76 175.69 3h3k s PRO 138 N -0.84 2.49 0.45 0.00 0.04 -1.26 -4.97 135.00 130.91 3h3k s PRO 138 Ca 0.34 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3h3k s PRO 138 Cb 0.14 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3h3k s PRO 138 CO -0.13 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.16 3h3k n GLY 139 N -2.98 -1.81 7.00 0.56 0.00 -1.16 -4.61 105.19 102.20 3h3k n GLY 139 Ca 0.07 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3h3k n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3k n GLY 140 N 0.00 -1.28 3.40 -0.02 0.00 -1.22 -4.47 105.19 101.60 3h3k n GLY 140 Ca 0.00 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 3h3k n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h3k s TRP 141 N 0.00 2.52 0.14 1.61 0.51 -1.26 -1.15 118.94 121.30 3h3k s TRP 141 Ca 0.00 -0.29 -0.31 0.00 -2.12 0.00 0.00 56.10 53.37 3h3k s TRP 141 Cb 0.00 -1.57 -0.10 0.00 -0.81 0.00 0.00 33.47 30.99 3h3k s TRP 141 CO 0.00 0.08 1.68 -1.01 -0.51 0.00 0.00 176.95 177.19 3h3k s HIS 142 N -0.68 2.64 0.22 -1.98 3.76 0.24 -4.56 115.29 114.94 3h3k s HIS 142 Ca 0.11 0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 55.27 3h3k s HIS 142 Cb -0.10 -4.04 0.18 0.00 1.11 0.00 0.00 32.58 29.73 3h3k s HIS 142 CO -0.00 -4.06 1.83 0.22 -0.85 0.00 0.00 174.74 171.87 3h3k h ASP 143 N 7.64 1.08 0.00 1.40 3.58 -1.40 -3.44 116.42 125.28 3h3k h ASP 143 Ca -0.43 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 56.90 3h3k h ASP 143 Cb 1.21 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.98 3h3k h ASP 143 CO 0.93 0.89 0.00 0.00 -2.88 0.00 0.00 179.24 178.19 3h3k n ALA 144 N -2.40 0.00 0.35 -0.78 0.00 -1.26 -1.19 120.51 115.23 3h3k n ALA 144 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.67 3h3k n ALA 144 Cb 0.12 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.12 3h3k n ALA 144 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h3k h GLY 145 N 0.00 0.00 -0.61 0.00 0.00 -1.71 -3.45 103.07 97.29 3h3k h GLY 145 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3h3k h GLY 145 CO 0.00 0.00 -0.02 2.09 0.00 0.00 0.00 176.54 178.61 3h3k n ASP 146 N -2.65 0.78 -0.49 0.19 5.75 -1.26 -2.13 116.55 116.74 3h3k n ASP 146 Ca 0.02 -1.57 0.05 0.00 -0.01 0.00 0.00 54.79 53.28 3h3k n ASP 146 Cb 0.29 -0.17 0.09 0.00 -1.03 0.00 0.00 41.12 40.30 3h3k n ASP 146 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3h3k n TYR 147 N -1.53 0.19 -1.74 2.11 4.01 -1.26 -4.28 117.16 114.67 3h3k n TYR 147 Ca 0.06 -0.22 -0.33 0.00 -0.16 0.00 0.00 57.90 57.25 3h3k n TYR 147 Cb 0.23 -0.01 0.05 0.00 -0.31 0.00 0.00 39.34 39.30 3h3k n TYR 147 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3h3k s GLY 148 N -0.92 2.21 -0.16 2.72 0.00 -1.26 -4.71 107.32 105.19 3h3k s GLY 148 Ca 0.16 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.50 3h3k s GLY 148 CO 0.14 0.97 -0.15 0.54 0.00 0.00 0.00 173.10 174.60 3h3k s LYS 149 N -4.02 2.39 -0.14 2.90 1.02 -0.76 -1.37 119.74 119.76 3h3k s LYS 149 Ca 0.68 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 56.06 3h3k s LYS 149 Cb -0.22 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 34.88 3h3k s LYS 149 CO 0.41 -0.26 -0.22 0.71 -0.92 0.00 0.00 175.35 175.08 3h3k s TYR 150 N 1.44 2.61 0.16 3.18 1.51 -1.26 -1.13 117.35 123.85 3h3k s TYR 150 Ca 0.04 -1.30 -0.16 0.00 -1.01 0.00 0.00 57.07 54.64 3h3k s TYR 150 Cb -0.13 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 39.98 3h3k s TYR 150 CO -0.11 -0.59 1.80 1.15 -1.11 0.00 0.00 175.55 176.68 3h3k h THR 151 N 5.83 1.04 0.47 -0.71 2.02 -1.43 -2.64 112.91 117.48 3h3k h THR 151 Ca -0.32 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3h3k h THR 151 Cb 1.19 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3h3k h THR 151 CO 0.55 0.08 -0.22 0.58 0.37 0.00 0.00 175.52 176.88 3h3k h VAL 152 N 0.46 0.54 0.00 3.16 2.07 -1.89 -2.11 116.25 118.48 3h3k h VAL 152 Ca 0.16 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3h3k h VAL 152 Cb 0.01 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3h3k h VAL 152 CO -0.08 0.03 -0.24 1.55 0.02 0.00 0.00 177.57 178.85 3h3k h PRO 153 N -0.71 0.00 -0.97 1.57 0.13 -1.88 -2.97 132.00 127.16 3h3k h PRO 153 Ca -0.06 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3h3k h PRO 153 Cb 0.52 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.60 3h3k h PRO 153 CO 0.11 0.24 0.64 0.00 -0.23 0.00 0.00 178.00 178.76 3h3k h ALA 154 N 1.76 1.35 -0.41 -0.56 0.00 -1.07 -2.31 119.26 118.02 3h3k h ALA 154 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3h3k h ALA 154 Cb 0.54 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3h3k h ALA 154 CO 0.03 0.56 0.18 0.00 0.00 0.00 0.00 179.25 180.02 3h3k h ALA 155 N 1.42 0.52 -0.39 0.00 0.00 -1.23 -0.93 119.26 118.66 3h3k h ALA 155 Ca 0.38 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.19 3h3k h ALA 155 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3h3k h ALA 155 CO -0.11 0.11 0.20 -0.22 0.00 0.00 0.00 179.25 179.23 3h3k h LYS 156 N 0.51 0.39 -0.65 0.00 3.64 -1.52 0.63 116.57 119.56 3h3k h LYS 156 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3h3k h LYS 156 Cb 0.16 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3h3k h LYS 156 CO -0.01 0.26 0.38 0.00 -2.27 0.00 0.00 179.45 177.80 3h3k h ALA 157 N 1.21 0.83 -0.08 5.00 0.00 -1.22 -0.61 119.26 124.39 3h3k h ALA 157 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h3k h ALA 157 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3h3k h ALA 157 CO -0.12 0.32 0.03 0.28 0.00 0.00 0.00 179.25 179.76 3h3k h VAL 158 N 0.89 1.17 -0.46 0.00 2.07 -1.01 -2.56 116.25 116.35 3h3k h VAL 158 Ca 0.23 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.32 3h3k h VAL 158 Cb -0.00 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3h3k h VAL 158 CO -0.04 0.14 0.09 0.00 0.02 0.00 0.00 177.57 177.79 3h3k h ALA 159 N 0.84 0.50 -0.61 1.67 0.00 -0.63 -0.98 119.26 120.05 3h3k h ALA 159 Ca 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3h3k h ALA 159 Cb 0.20 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3h3k h ALA 159 CO -0.00 -0.31 0.23 -0.44 0.00 0.00 0.00 179.25 178.72 3h3k h ASP 160 N 0.23 0.86 -0.47 0.00 3.32 -1.08 0.52 116.42 119.80 3h3k h ASP 160 Ca 0.22 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3h3k h ASP 160 Cb 0.28 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3h3k h ASP 160 CO -0.29 0.81 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.90 3h3k h LEU 161 N 0.86 0.89 -0.48 1.55 3.38 -1.12 -1.02 115.31 119.36 3h3k h LEU 161 Ca 0.20 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3h3k h LEU 161 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3h3k h LEU 161 CO -0.01 1.02 0.25 -0.07 0.09 0.00 0.00 178.44 179.72 3h3k h LEU 162 N 0.73 0.62 -1.20 1.67 3.38 -0.95 -1.71 115.31 117.86 3h3k h LEU 162 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3h3k h LEU 162 Cb 0.61 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3h3k h LEU 162 CO 0.04 0.55 0.37 -0.07 0.09 0.00 0.00 178.44 179.42 3h3k h LEU 163 N 0.64 0.82 -0.84 1.67 3.38 -0.75 -1.30 115.31 118.93 3h3k h LEU 163 Ca 0.17 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3h3k h LEU 163 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3h3k h LEU 163 CO -0.02 0.66 -0.27 0.00 0.09 0.00 0.00 178.44 178.90 3h3k h ALA 164 N 1.48 1.01 -0.30 1.53 0.00 -0.87 0.15 119.26 122.26 3h3k h ALA 164 Ca 0.24 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3h3k h ALA 164 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h3k h ALA 164 CO -0.04 0.59 -0.02 1.25 0.00 0.00 0.00 179.25 181.02 3h3k h HIS 165 N 0.48 0.60 -0.42 0.00 -0.00 -0.90 0.90 115.15 115.82 3h3k h HIS 165 Ca 0.07 -0.11 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 3h3k h HIS 165 Cb 0.72 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 3h3k h HIS 165 CO 0.03 0.70 0.20 0.93 -0.00 0.00 0.00 177.93 179.79 3h3k h GLU 166 N 0.33 0.61 0.25 5.26 5.08 -0.99 -3.11 114.58 122.01 3h3k h GLU 166 Ca 0.08 -0.09 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 3h3k h GLU 166 Cb 0.48 -0.11 0.04 0.00 0.50 0.00 0.00 28.75 29.66 3h3k h GLU 166 CO 0.02 0.53 -1.45 1.88 -1.00 0.00 0.00 179.01 178.99 3h3k h TYR 167 N 0.54 0.95 -1.42 4.33 0.05 -0.98 -3.42 116.97 117.02 3h3k h TYR 167 Ca 0.14 -0.69 -0.45 0.00 0.05 0.00 0.00 58.73 57.78 3h3k h TYR 167 Cb 0.12 -0.04 -0.41 0.00 1.01 0.00 0.00 36.73 37.42 3h3k h TYR 167 CO -0.01 1.55 -1.06 1.19 -1.05 0.00 0.00 178.16 178.78 3h3k n PHE 168 N -3.75 1.63 -0.04 4.88 3.72 0.31 -4.92 117.46 119.29 3h3k n PHE 168 Ca -0.17 -3.18 -0.03 0.00 -0.05 0.00 0.00 57.45 54.02 3h3k n PHE 168 Cb 1.09 -0.34 0.20 0.00 -0.94 0.00 0.00 39.48 39.49 3h3k n PHE 168 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3h3k h PRO 169 N 2.92 0.63 -0.49 -1.08 0.13 -1.66 -2.60 132.00 129.84 3h3k h PRO 169 Ca 0.04 -0.19 0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3h3k h PRO 169 Cb 1.03 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 3h3k h PRO 169 CO 0.60 0.72 0.30 0.00 -0.23 0.00 0.00 178.00 179.38 3h3k h ALA 170 N 1.32 0.62 -0.37 -0.56 0.00 -1.91 0.15 119.26 118.51 3h3k h ALA 170 Ca 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3h3k h ALA 170 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3h3k h ALA 170 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3h3k h ALA 171 N 1.21 0.50 0.00 0.00 0.00 -1.82 -2.85 119.26 116.29 3h3k h ALA 171 Ca 0.19 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3h3k h ALA 171 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h3k h ALA 171 CO -0.08 0.27 -0.21 -0.07 0.00 0.00 0.00 179.25 179.15 3h3k h LEU 172 N 0.47 0.00 -2.15 0.00 3.38 -1.24 -2.56 115.31 113.21 3h3k h LEU 172 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3h3k h LEU 172 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3h3k h LEU 172 CO 0.02 0.21 -0.06 0.00 0.09 0.00 0.00 178.44 178.70 3h3k h ALA 173 N 1.79 1.54 -0.03 1.53 0.00 -0.72 -2.48 119.26 120.89 3h3k h ALA 173 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h3k h ALA 173 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h3k h ALA 173 CO 0.03 0.07 0.00 0.72 0.00 0.00 0.00 179.25 180.07 3h3k n HIS 174 N -3.94 0.04 -4.40 0.00 8.25 -0.97 -4.86 115.22 109.33 3h3k n HIS 174 Ca -0.03 -0.02 -0.26 0.00 -0.26 0.00 0.00 57.72 57.15 3h3k n HIS 174 Cb 0.15 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.15 3h3k n HIS 174 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3h3k s VAL 175 N -1.96 2.54 -0.18 1.59 -7.23 -0.94 -5.02 120.40 109.19 3h3k s VAL 175 Ca 0.25 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 3h3k s VAL 175 Cb 0.12 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.84 3h3k s VAL 175 CO 0.20 -0.16 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.06 3h3k s ARG 176 N -2.84 2.68 0.00 4.82 3.52 -1.26 -4.76 118.95 121.11 3h3k s ARG 176 Ca 0.23 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 3h3k s ARG 176 Cb -0.08 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 3h3k s ARG 176 CO 0.12 -0.27 0.00 -0.35 -0.81 0.00 0.00 175.30 173.99 3h3k n PRO 177 N 4.65 0.15 -2.05 5.12 -0.04 -1.26 -4.84 135.00 136.73 3h3k n PRO 177 Ca -0.19 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.87 3h3k n PRO 177 Cb 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 3h3k n PRO 177 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3h3k n MET 178 N -0.72 2.56 -0.26 0.54 2.81 -1.26 -4.79 117.12 116.00 3h3k n MET 178 Ca 0.00 -2.74 0.02 0.00 -1.81 0.00 0.00 57.70 53.18 3h3k n MET 178 Cb 0.00 -3.40 0.25 0.00 -0.71 0.00 0.00 33.22 29.35 3h3k n MET 178 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3h3k h ARG 179 N 7.58 0.99 0.00 0.03 2.43 -1.95 -2.09 114.38 121.37 3h3k h ARG 179 Ca 0.44 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3h3k h ARG 179 Cb 0.79 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3h3k h ARG 179 CO 1.61 0.66 0.00 -1.13 -1.51 0.00 0.00 179.97 179.59 3h3k n SER 180 N -4.45 0.32 -0.10 -3.80 3.41 -1.26 -1.71 113.62 106.02 3h3k n SER 180 Ca 0.11 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3h3k n SER 180 Cb 0.12 -0.63 0.40 0.00 -0.26 0.00 0.00 64.21 63.84 3h3k n SER 180 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3h3k n VAL 181 N -1.82 0.00 -4.11 -3.33 0.24 -0.78 -4.92 118.33 103.60 3h3k n VAL 181 Ca 0.04 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.34 62.07 3h3k n VAL 181 Cb 0.27 0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 32.75 3h3k n VAL 181 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3h3k s HIS 182 N -2.73 3.10 0.43 6.34 4.02 -0.70 -5.10 115.29 120.66 3h3k s HIS 182 Ca 0.19 -0.12 -0.23 0.00 1.02 0.00 0.00 55.06 55.92 3h3k s HIS 182 Cb 0.19 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.58 30.25 3h3k s HIS 182 CO 0.58 0.51 1.09 0.50 1.02 0.00 0.00 174.74 178.45 3h3k s ARG 183 N -3.85 3.98 0.17 1.40 3.52 -1.26 -5.01 118.95 117.90 3h3k s ARG 183 Ca 0.33 1.61 -0.04 0.00 -0.13 0.00 0.00 55.73 57.49 3h3k s ARG 183 Cb -0.08 -2.46 -0.05 0.00 -1.56 0.00 0.00 34.95 30.80 3h3k s ARG 183 CO 0.25 -0.32 0.40 0.00 -0.81 0.00 0.00 175.30 174.82 3h3k s ALA 184 N -1.63 3.77 0.36 6.12 0.00 -1.26 -3.93 121.76 125.19 3h3k s ALA 184 Ca 0.61 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 3h3k s ALA 184 Cb -0.24 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.65 3h3k s ALA 184 CO 0.30 0.59 1.16 -1.25 0.00 0.00 0.00 175.76 176.56 3h3k s PRO 185 N -2.84 4.24 0.05 0.00 0.04 -1.26 -5.10 135.00 130.13 3h3k s PRO 185 Ca 0.41 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 3h3k s PRO 185 Cb -0.12 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 3h3k s PRO 185 CO 0.25 -0.16 1.06 -1.01 0.04 0.00 0.00 177.00 177.19 3h3k s HIS 186 N -1.35 3.59 0.82 0.56 3.76 -1.25 -5.04 115.29 116.38 3h3k s HIS 186 Ca 0.53 1.56 -0.12 0.00 -0.15 0.00 0.00 55.06 56.89 3h3k s HIS 186 Cb -0.31 -3.23 0.08 0.00 1.11 0.00 0.00 32.58 30.23 3h3k s HIS 186 CO 0.40 -0.48 1.17 -0.51 -0.85 0.00 0.00 174.74 174.47 3h3k s LEU 187 N 0.81 2.45 0.50 0.89 1.43 -1.26 -5.03 118.68 118.47 3h3k s LEU 187 Ca 0.54 0.83 -0.23 0.00 -1.03 0.00 0.00 54.13 54.23 3h3k s LEU 187 Cb -0.25 -3.31 -0.07 0.00 0.03 0.00 0.00 46.19 42.59 3h3k s LEU 187 CO 0.29 -1.97 1.33 -2.65 0.23 0.00 0.00 176.35 173.58 3h3k n PRO 188 N -3.37 1.84 -0.35 1.29 -0.02 -1.26 -4.52 135.00 128.62 3h3k n PRO 188 Ca 0.08 0.67 -0.05 0.00 -2.02 0.00 0.00 63.50 62.18 3h3k n PRO 188 Cb 0.61 -2.52 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3h3k n PRO 188 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h3k h PRO 189 N 1.75 -0.05 -0.91 0.52 0.11 -1.86 0.04 132.00 131.60 3h3k h PRO 189 Ca -0.50 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3h3k h PRO 189 Cb 1.30 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 3h3k h PRO 189 CO 0.58 -0.03 0.59 0.00 -0.21 0.00 0.00 178.00 178.93 3h3k h ALA 190 N 1.04 1.20 -0.05 -0.75 0.00 -1.91 -1.85 119.26 116.95 3h3k h ALA 190 Ca 0.27 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 3h3k h ALA 190 Cb 0.55 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h3k h ALA 190 CO -0.91 0.46 -0.86 -0.07 0.00 0.00 0.00 179.25 177.87 3h3k h LEU 191 N 1.15 0.62 -0.37 0.00 3.38 -1.42 -1.41 115.31 117.26 3h3k h LEU 191 Ca 0.36 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3h3k h LEU 191 Cb -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3h3k h LEU 191 CO -0.12 1.24 0.12 -0.08 0.09 0.00 0.00 178.44 179.69 3h3k h GLU 192 N 0.31 0.26 -0.17 1.13 4.81 -0.86 -1.76 114.58 118.30 3h3k h GLU 192 Ca -0.07 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3h3k h GLU 192 Cb 1.48 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 3h3k h GLU 192 CO 0.16 0.18 -0.08 0.28 -0.73 0.00 0.00 179.01 178.81 3h3k h VAL 193 N 0.27 1.31 -0.01 0.32 2.07 -1.32 -3.26 116.25 115.63 3h3k h VAL 193 Ca 0.17 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3h3k h VAL 193 Cb 0.15 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3h3k h VAL 193 CO -0.18 0.33 -0.27 0.00 0.02 0.00 0.00 177.57 177.47 3h3k h ALA 194 N 0.69 1.54 -0.44 1.67 0.00 -1.17 -3.05 119.26 118.49 3h3k h ALA 194 Ca 0.04 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3h3k h ALA 194 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3h3k h ALA 194 CO 0.02 0.35 0.29 -0.09 0.00 0.00 0.00 179.25 179.83 3h3k h ARG 195 N 0.02 0.43 -0.54 0.00 2.43 -1.36 -1.06 114.38 114.31 3h3k h ARG 195 Ca 0.00 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3h3k h ARG 195 Cb 0.49 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3h3k h ARG 195 CO 0.04 0.29 0.05 0.93 -1.51 0.00 0.00 179.97 179.76 3h3k h GLU 196 N 0.45 0.88 0.03 0.20 4.39 -1.69 0.11 114.58 118.94 3h3k h GLU 196 Ca 0.18 -0.23 -0.27 0.00 0.34 0.00 0.00 59.36 59.38 3h3k h GLU 196 Cb 0.17 -0.11 0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3h3k h GLU 196 CO -0.04 0.85 -1.08 1.49 -1.16 0.00 0.00 179.01 179.06 3h3k h GLU 197 N 0.82 0.69 -0.63 2.33 4.57 -1.53 -2.75 114.58 118.08 3h3k h GLU 197 Ca 0.16 -0.77 0.01 0.00 -1.18 0.00 0.00 59.36 57.58 3h3k h GLU 197 Cb 0.43 0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 3h3k h GLU 197 CO 0.01 1.34 0.42 0.82 -1.18 0.00 0.00 179.01 180.42 3h3k h ILE 198 N 0.36 1.16 -0.65 2.32 2.04 -1.01 0.89 117.51 122.62 3h3k h ILE 198 Ca -0.14 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3h3k h ILE 198 Cb 1.74 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3h3k h ILE 198 CO 0.21 0.15 0.43 0.00 0.00 0.00 0.00 178.15 178.95 3h3k h ALA 199 N 1.23 0.83 -0.10 1.87 0.00 -0.83 -2.20 119.26 120.05 3h3k h ALA 199 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3h3k h ALA 199 Cb -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3h3k h ALA 199 CO -0.05 0.25 0.03 2.35 0.00 0.00 0.00 179.25 181.82 3h3k h TRP 200 N 0.88 0.18 -0.98 0.00 7.01 -1.12 -3.06 115.95 118.84 3h3k h TRP 200 Ca 0.24 -0.02 0.21 0.00 2.11 0.00 0.00 58.89 61.43 3h3k h TRP 200 Cb -0.10 -0.05 -0.12 0.00 -2.10 0.00 0.00 29.16 26.80 3h3k h TRP 200 CO -0.03 0.33 0.57 -0.07 -2.79 0.00 0.00 178.44 176.46 3h3k h LEU 201 N -0.03 0.68 -1.51 0.65 3.38 -0.57 -1.18 115.31 116.72 3h3k h LEU 201 Ca 0.03 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3h3k h LEU 201 Cb 0.25 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3h3k h LEU 201 CO 0.00 0.17 0.36 -0.07 0.09 0.00 0.00 178.44 178.99 3h3k h LEU 202 N 0.65 0.55 0.00 1.67 3.38 -1.30 -1.44 115.31 118.82 3h3k h LEU 202 Ca 0.60 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.56 3h3k h LEU 202 Cb 1.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3h3k h LEU 202 CO -0.43 0.38 0.00 0.35 0.09 0.00 0.00 178.44 178.83 3h3k n THR 203 N -4.47 0.14 1.25 0.22 -2.24 -0.45 -3.02 114.28 105.71 3h3k n THR 203 Ca 0.06 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3h3k n THR 203 Cb 0.12 -0.60 0.34 0.00 -2.10 0.00 0.00 70.33 68.09 3h3k n THR 203 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3h3k n MET 204 N -1.28 1.18 -3.10 -0.78 2.81 -0.54 -4.77 117.12 110.64 3h3k n MET 204 Ca 0.13 -0.77 -0.40 0.00 -1.81 0.00 0.00 57.70 54.85 3h3k n MET 204 Cb 0.21 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.18 3h3k n MET 204 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3h3k s GLN 205 N -2.35 4.22 -0.15 0.03 0.74 -1.17 -1.32 119.66 119.67 3h3k s GLN 205 Ca 0.27 0.65 -0.29 0.00 0.05 0.00 0.00 55.36 56.04 3h3k s GLN 205 Cb 0.20 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 3h3k s GLN 205 CO 0.47 -0.25 1.89 0.34 -0.55 0.00 0.00 175.29 177.19 3h3k s ASP 206 N 1.19 6.13 0.50 6.67 2.15 0.14 -4.90 116.67 128.56 3h3k s ASP 206 Ca 0.30 2.00 0.18 0.00 0.43 0.00 0.00 52.55 55.45 3h3k s ASP 206 Cb -0.16 -2.53 1.25 0.00 -0.30 0.00 0.00 42.92 41.18 3h3k s ASP 206 CO 0.11 -1.40 2.07 -0.65 -0.17 0.00 0.00 175.17 175.12 3h3k h PRO 207 N 11.94 0.10 0.00 4.34 0.11 -1.96 -0.10 132.00 146.44 3h3k h PRO 207 Ca -0.40 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.57 3h3k h PRO 207 Cb 1.20 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3h3k h PRO 207 CO 0.97 0.07 -0.60 0.00 -0.21 0.00 0.00 178.00 178.22 3h3k h ALA 208 N 1.85 0.72 0.00 -0.75 0.00 -1.96 -3.39 119.26 115.73 3h3k h ALA 208 Ca 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h3k h ALA 208 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3h3k h ALA 208 CO -0.01 0.75 -0.72 0.25 0.00 0.00 0.00 179.25 179.52 3h3k n THR 209 N -3.41 0.00 -0.27 0.00 -2.24 -1.12 -5.02 114.28 102.22 3h3k n THR 209 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3h3k n THR 209 Cb 0.71 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3h3k n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h3k n GLY 210 N 1.80 1.47 3.81 3.38 0.00 -0.06 -4.48 105.19 111.11 3h3k n GLY 210 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3h3k n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3k s GLY 211 N -1.85 2.20 -0.09 -0.02 0.00 -1.25 -3.79 107.32 102.52 3h3k s GLY 211 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.13 3h3k s GLY 211 CO 0.00 0.69 -0.16 0.14 0.00 0.00 0.00 173.10 173.77 3h3k s VAL 212 N -2.39 2.79 0.31 1.40 1.01 -1.26 0.26 120.40 122.53 3h3k s VAL 212 Ca 0.63 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 3h3k s VAL 212 Cb -0.14 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 3h3k s VAL 212 CO 0.31 0.56 1.31 -0.31 0.00 0.00 0.00 175.10 176.96 3h3k s TYR 213 N -0.06 3.08 0.21 5.22 2.02 -0.43 -2.41 117.35 124.98 3h3k s TYR 213 Ca -0.04 1.37 -0.07 0.00 -0.37 0.00 0.00 57.07 57.97 3h3k s TYR 213 Cb -0.14 -3.67 0.15 0.00 -0.40 0.00 0.00 41.96 37.90 3h3k s TYR 213 CO 0.04 -1.88 1.67 1.25 -1.57 0.00 0.00 175.55 175.05 3h3k h HIS 214 N 3.71 1.05 -2.34 2.71 2.76 -1.52 -3.42 115.15 118.10 3h3k h HIS 214 Ca -0.48 -0.18 0.12 0.00 -2.20 0.00 0.00 60.37 57.62 3h3k h HIS 214 Cb 1.22 -0.27 -0.13 0.00 1.55 0.00 0.00 27.41 29.78 3h3k h HIS 214 CO 0.57 0.96 0.47 -1.59 -1.30 0.00 0.00 177.93 177.04 3h3k s LYS 215 N -4.93 0.93 -0.14 5.26 -2.85 -1.26 -1.24 119.74 115.51 3h3k s LYS 215 Ca -0.11 -0.39 -0.01 0.00 -1.00 0.00 0.00 55.97 54.47 3h3k s LYS 215 Cb 0.14 0.40 0.03 0.00 -2.06 0.00 0.00 37.83 36.34 3h3k s LYS 215 CO 0.84 -0.41 -0.05 0.54 0.10 0.00 0.00 175.35 176.37 3h3k s VAL 216 N -3.20 0.98 0.21 1.79 0.11 -0.28 -1.41 120.40 118.59 3h3k s VAL 216 Ca 0.06 -0.43 -0.09 0.00 -2.93 0.00 0.00 61.98 58.60 3h3k s VAL 216 Cb -0.01 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 3h3k s VAL 216 CO -0.07 0.22 0.34 0.42 -3.33 0.00 0.00 175.10 172.68 3h3k s THR 217 N 1.70 0.02 0.77 5.04 -4.23 -0.83 -1.83 115.64 116.28 3h3k s THR 217 Ca 0.03 -1.52 -0.11 0.00 -1.18 0.00 0.00 61.69 58.91 3h3k s THR 217 Cb -0.14 -2.15 0.05 0.00 1.34 0.00 0.00 72.50 71.61 3h3k s THR 217 CO -0.08 -0.10 1.08 0.42 -0.54 0.00 0.00 174.62 175.41 3h3k s THR 218 N -4.03 3.42 0.50 3.99 -4.23 -1.26 0.56 115.64 114.59 3h3k s THR 218 Ca 0.24 0.46 0.20 0.00 -1.18 0.00 0.00 61.69 61.41 3h3k s THR 218 Cb 0.02 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 71.04 3h3k s THR 218 CO 0.07 -0.60 2.12 -0.65 -0.54 0.00 0.00 174.62 175.01 3h3k h PRO 219 N -1.04 0.00 -4.50 3.99 0.11 -1.85 -3.44 132.00 125.27 3h3k h PRO 219 Ca -0.45 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.36 3h3k h PRO 219 Cb 1.24 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.23 3h3k h PRO 219 CO 0.55 0.07 -0.43 -1.54 -0.21 0.00 0.00 178.00 176.44 3h3k s SER 220 N -6.73 0.78 0.13 -2.05 1.04 -1.26 -0.27 113.70 105.36 3h3k s SER 220 Ca -0.04 -1.48 -0.30 0.00 0.48 0.00 0.00 55.95 54.60 3h3k s SER 220 Cb 0.16 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.73 3h3k s SER 220 CO 0.64 -1.04 1.07 -0.36 0.98 0.00 0.00 173.24 174.52 3h3k s PHE 221 N -3.68 3.64 0.87 5.02 0.08 -1.26 -4.94 117.98 117.71 3h3k s PHE 221 Ca 0.36 1.63 -0.12 0.00 0.12 0.00 0.00 56.93 58.92 3h3k s PHE 221 Cb 0.03 -3.22 0.11 0.00 -0.57 0.00 0.00 43.02 39.38 3h3k s PHE 221 CO 0.19 -0.42 1.14 -1.25 -0.10 0.00 0.00 175.22 174.78 3h3k s PRO 222 N -0.02 1.47 0.63 0.24 0.04 -1.26 -5.01 135.00 131.09 3h3k s PRO 222 Ca 0.50 0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 3h3k s PRO 222 Cb -0.27 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3h3k s PRO 222 CO 0.32 -1.98 0.76 -2.30 0.04 0.00 0.00 177.00 173.85 3h3k n PRO 223 N -3.62 0.63 0.32 0.56 -0.02 -1.26 -4.85 135.00 126.76 3h3k n PRO 223 Ca 0.07 0.25 0.18 0.00 -2.02 0.00 0.00 63.50 61.98 3h3k n PRO 223 Cb 0.59 -1.98 0.94 0.00 -0.02 0.00 0.00 33.50 33.03 3h3k n PRO 223 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h3k h LEU 224 N 0.16 0.00 -0.20 2.45 3.38 -1.97 -2.23 115.31 116.91 3h3k h LEU 224 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3h3k h LEU 224 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3h3k h LEU 224 CO 0.48 0.00 -0.42 -0.67 0.09 0.00 0.00 178.44 177.92 3h3k n ASP 225 N -3.04 0.73 -4.69 -0.43 2.03 -1.26 -4.26 116.55 105.63 3h3k n ASP 225 Ca -0.02 -0.53 -0.42 0.00 0.52 0.00 0.00 54.79 54.34 3h3k n ASP 225 Cb 0.29 0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 3h3k n ASP 225 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3h3k s THR 226 N -2.80 3.59 0.55 5.18 2.01 -0.84 -4.33 115.64 118.99 3h3k s THR 226 Ca 0.16 1.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.97 3h3k s THR 226 Cb 0.18 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.99 3h3k s THR 226 CO 0.63 0.00 1.10 -0.13 -0.69 0.00 0.00 174.62 175.54 3h3k s ARG 227 N 2.32 3.40 0.19 4.92 0.52 -1.26 -4.48 118.95 124.57 3h3k s ARG 227 Ca 0.65 1.50 -0.12 0.00 -0.52 0.00 0.00 55.73 57.24 3h3k s ARG 227 Cb -0.33 -2.02 0.14 0.00 0.52 0.00 0.00 34.95 33.26 3h3k s ARG 227 CO 0.28 -0.78 1.84 -1.00 0.02 0.00 0.00 175.30 175.65 3h3k h PRO 228 N 1.11 0.76 0.00 3.54 0.13 -1.95 -2.48 132.00 133.11 3h3k h PRO 228 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3h3k h PRO 228 Cb 1.25 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3h3k h PRO 228 CO 0.57 0.50 0.00 1.05 -0.23 0.00 0.00 178.00 179.89 3h3k h GLU 229 N 0.78 0.00 0.00 0.86 9.09 -1.90 -2.85 114.58 120.57 3h3k h GLU 229 Ca 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.65 3h3k h GLU 229 Cb -0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.09 3h3k h GLU 229 CO -0.09 0.00 -0.05 -0.44 0.05 0.00 0.00 179.01 178.48 3h3k h ASP 230 N 0.00 0.00 -2.30 3.06 3.32 -1.84 -3.45 116.42 115.22 3h3k h ASP 230 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3h3k h ASP 230 Cb 0.67 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 3h3k h ASP 230 CO 0.00 0.05 1.24 -0.62 -1.72 0.00 0.00 179.24 178.18 3h3k s ASP 231 N -6.14 5.68 0.00 6.45 2.15 -1.07 -4.83 116.67 118.91 3h3k s ASP 231 Ca 0.06 0.26 0.05 0.00 0.43 0.00 0.00 52.55 53.35 3h3k s ASP 231 Cb 0.06 -2.54 0.12 0.00 -0.30 0.00 0.00 42.92 40.26 3h3k s ASP 231 CO 0.65 -2.07 0.99 0.47 -0.17 0.00 0.00 175.17 175.05 3h3k n ASP 232 N 11.20 2.16 -4.74 -0.34 8.00 -1.26 -4.61 116.55 126.96 3h3k n ASP 232 Ca 0.16 -1.77 -0.37 0.00 0.71 0.00 0.00 54.79 53.52 3h3k n ASP 232 Cb 0.50 -0.08 0.06 0.00 -0.02 0.00 0.00 41.12 41.58 3h3k n ASP 232 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h3k s ALA 233 N -0.84 2.46 0.49 2.24 0.00 -1.26 -4.93 121.76 119.92 3h3k s ALA 233 Ca 0.10 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 53.00 3h3k s ALA 233 Cb 0.06 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 3h3k s ALA 233 CO 0.08 -1.47 1.42 -1.25 0.00 0.00 0.00 175.76 174.53 3h3k s PRO 234 N -3.31 3.47 0.05 0.00 0.04 -1.26 -4.89 135.00 129.09 3h3k s PRO 234 Ca 0.80 2.39 -0.21 0.00 0.04 0.00 0.00 61.00 64.02 3h3k s PRO 234 Cb -0.36 -2.51 -0.06 0.00 0.04 0.00 0.00 34.50 31.60 3h3k s PRO 234 CO 0.39 -0.98 0.62 -0.51 0.04 0.00 0.00 177.00 176.56 3h3k s LEU 235 N -3.03 4.49 -0.11 -3.56 1.43 -1.26 -4.22 118.68 112.42 3h3k s LEU 235 Ca 0.65 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 55.06 3h3k s LEU 235 Cb -0.43 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 42.81 3h3k s LEU 235 CO 0.54 0.18 -0.17 -0.69 0.23 0.00 0.00 176.35 176.44 3h3k s VAL 236 N -0.68 1.63 -0.46 -1.59 1.01 0.19 -1.52 120.40 118.99 3h3k s VAL 236 Ca 0.31 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 3h3k s VAL 236 Cb -0.20 -1.47 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3h3k s VAL 236 CO 0.20 0.47 1.02 -0.76 0.00 0.00 0.00 175.10 176.02 3h3k s LEU 237 N 0.89 3.85 0.73 3.92 1.43 -0.04 -1.97 118.68 127.49 3h3k s LEU 237 Ca -0.08 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 3h3k s LEU 237 Cb -0.15 -3.35 0.04 0.00 0.03 0.00 0.00 46.19 42.75 3h3k s LEU 237 CO -0.01 -1.12 1.11 -0.44 0.23 0.00 0.00 176.35 176.13 3h3k s SER 238 N 2.30 4.60 0.88 2.29 0.01 -0.50 -1.32 113.70 121.96 3h3k s SER 238 Ca 0.42 1.97 -0.14 0.00 1.31 0.00 0.00 55.95 59.51 3h3k s SER 238 Cb -0.09 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.62 3h3k s SER 238 CO 0.28 -1.97 0.54 -2.65 0.41 0.00 0.00 173.24 169.85 3h3k n PRO 239 N -3.05 -0.10 -1.75 12.44 -0.02 -1.26 -3.72 135.00 137.54 3h3k n PRO 239 Ca 0.10 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3h3k n PRO 239 Cb 0.52 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 3h3k n PRO 239 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3h3k n ILE 240 N -3.28 2.42 -4.11 4.25 5.41 -1.26 -2.16 119.36 120.63 3h3k n ILE 240 Ca 0.08 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.20 3h3k n ILE 240 Cb 0.52 -1.82 -0.11 0.00 -0.71 0.00 0.00 39.64 37.52 3h3k n ILE 240 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3h3k s SER 241 N -0.35 1.11 0.09 4.38 1.04 -1.01 -4.83 113.70 114.13 3h3k s SER 241 Ca 0.58 -0.66 -0.24 0.00 0.48 0.00 0.00 55.95 56.10 3h3k s SER 241 Cb -0.48 0.03 -0.14 0.00 0.10 0.00 0.00 66.02 65.53 3h3k s SER 241 CO 0.60 -0.23 1.72 0.22 0.98 0.00 0.00 173.24 176.53 3h3k h TYR 242 N 4.11 -0.15 -0.66 5.02 3.20 -1.88 -1.70 116.97 124.89 3h3k h TYR 242 Ca -0.37 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.57 3h3k h TYR 242 Cb 1.19 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 39.46 3h3k h TYR 242 CO 0.64 -0.10 0.35 0.00 -1.64 0.00 0.00 178.16 177.41 3h3k h ALA 243 N 0.79 0.89 -0.43 1.82 0.00 -1.96 0.11 119.26 120.49 3h3k h ALA 243 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3h3k h ALA 243 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h3k h ALA 243 CO -0.01 -0.00 0.10 0.00 0.00 0.00 0.00 179.25 179.34 3h3k h ALA 244 N 1.37 0.56 -0.57 0.00 0.00 -1.84 -1.17 119.26 117.61 3h3k h ALA 244 Ca 0.31 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3h3k h ALA 244 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3h3k h ALA 244 CO -0.21 0.24 -0.01 1.15 0.00 0.00 0.00 179.25 180.42 3h3k h THR 245 N 0.55 1.26 -0.10 0.00 2.02 -0.63 -0.92 112.91 115.09 3h3k h THR 245 Ca 0.13 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 3h3k h THR 245 Cb 0.32 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3h3k h THR 245 CO 0.00 0.41 -0.20 0.00 0.37 0.00 0.00 175.52 176.10 3h3k h ALA 246 N 1.07 0.16 -0.16 6.16 0.00 -0.71 -1.50 119.26 124.29 3h3k h ALA 246 Ca 0.16 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3h3k h ALA 246 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3h3k h ALA 246 CO 0.03 0.10 -0.39 1.79 0.00 0.00 0.00 179.25 180.79 3h3k h THR 247 N -0.12 1.30 -0.14 0.00 1.35 -1.20 -1.53 112.91 112.57 3h3k h THR 247 Ca 0.00 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 3h3k h THR 247 Cb 0.78 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3h3k h THR 247 CO 0.04 0.46 0.08 0.15 -0.25 0.00 0.00 175.52 176.00 3h3k h PHE 248 N 0.29 0.17 -0.13 4.73 3.04 -1.19 -1.78 116.94 122.08 3h3k h PHE 248 Ca 0.03 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.03 3h3k h PHE 248 Cb 0.81 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.21 3h3k h PHE 248 CO 0.02 0.14 -0.19 0.00 -2.02 0.00 0.00 178.31 176.26 3h3k h ALA 250 N 0.79 0.37 -0.62 0.00 0.00 -1.25 0.05 119.26 118.60 3h3k h ALA 250 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3h3k h ALA 250 Cb 0.38 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3h3k h ALA 250 CO -0.27 -0.14 0.15 0.00 0.00 0.00 0.00 179.25 178.99 3h3k h ALA 251 N 1.08 0.82 -0.48 0.00 0.00 -1.09 -0.75 119.26 118.84 3h3k h ALA 251 Ca 0.11 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3h3k h ALA 251 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h3k h ALA 251 CO -0.02 0.52 -0.24 0.52 0.00 0.00 0.00 179.25 180.04 3h3k h MET 252 N 0.91 1.00 -0.60 0.00 2.07 -0.49 -0.94 114.93 116.88 3h3k h MET 252 Ca 0.20 -0.44 -0.03 0.00 -2.07 0.00 0.00 59.70 57.35 3h3k h MET 252 Cb 0.35 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.03 3h3k h MET 252 CO 0.00 1.12 0.25 0.00 1.07 0.00 0.00 176.91 179.35 3h3k h ALA 253 N 0.86 0.77 -0.37 6.32 0.00 -0.79 0.88 119.26 126.93 3h3k h ALA 253 Ca 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h3k h ALA 253 Cb 0.82 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3h3k h ALA 253 CO 0.07 0.37 0.21 1.25 0.00 0.00 0.00 179.25 181.15 3h3k h HIS 254 N 0.82 0.38 -0.74 0.00 6.17 -1.07 -3.02 115.15 117.69 3h3k h HIS 254 Ca 0.20 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.23 3h3k h HIS 254 Cb 0.18 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.96 3h3k h HIS 254 CO 0.01 0.22 0.23 0.00 0.71 0.00 0.00 177.93 179.10 3h3k h ALA 255 N 1.17 0.97 -0.79 5.26 0.00 -0.84 -2.25 119.26 122.79 3h3k h ALA 255 Ca 0.15 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3h3k h ALA 255 Cb 0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 3h3k h ALA 255 CO -0.08 0.65 0.42 0.00 0.00 0.00 0.00 179.25 180.25 3h3k h ALA 256 N 1.12 1.12 -0.11 0.00 0.00 -0.72 -1.13 119.26 119.55 3h3k h ALA 256 Ca 0.24 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3h3k h ALA 256 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h3k h ALA 256 CO -0.01 0.02 -0.11 -0.07 0.00 0.00 0.00 179.25 179.09 3h3k h LEU 257 N 0.70 0.28 -0.66 0.00 3.38 -1.39 -3.24 115.31 114.39 3h3k h LEU 257 Ca 0.39 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3h3k h LEU 257 Cb 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3h3k h LEU 257 CO -0.27 0.70 -0.32 0.58 0.09 0.00 0.00 178.44 179.22 3h3k h VAL 258 N -0.14 1.28 -0.01 1.22 2.07 -1.01 -3.07 116.25 116.60 3h3k h VAL 258 Ca 0.02 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.08 3h3k h VAL 258 Cb 0.62 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3h3k h VAL 258 CO 0.03 0.47 -0.09 -1.22 0.02 0.00 0.00 177.57 176.78 3h3k n TYR 259 N -4.07 0.00 -0.11 1.57 4.01 -0.46 -4.45 117.16 113.65 3h3k n TYR 259 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.65 3h3k n TYR 259 Cb 0.48 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.42 3h3k n TYR 259 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3h3k h ARG 260 N 1.31 -0.25 -0.01 -0.72 2.43 -1.55 0.42 114.38 116.00 3h3k h ARG 260 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3h3k h ARG 260 Cb 0.40 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3h3k h ARG 260 CO 0.00 -0.17 0.00 -0.35 -1.51 0.00 0.00 179.97 177.94 3h3k n PRO 261 N -5.41 1.04 -0.01 0.20 -0.04 -1.26 -3.82 135.00 125.69 3h3k n PRO 261 Ca 0.01 -0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 3h3k n PRO 261 Cb 0.34 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3h3k n PRO 261 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3h3k n PHE 262 N -0.74 0.00 -3.28 0.54 3.72 0.02 -4.93 117.46 112.78 3h3k n PHE 262 Ca 0.15 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.32 3h3k n PHE 262 Cb 0.08 -0.07 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 3h3k n PHE 262 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3h3k s ASP 263 N -4.62 0.96 0.44 4.37 -1.08 0.13 -5.02 116.67 111.84 3h3k s ASP 263 Ca -0.03 -2.76 0.14 0.00 -0.52 0.00 0.00 52.55 49.39 3h3k s ASP 263 Cb 0.01 0.01 1.05 0.00 -1.46 0.00 0.00 42.92 42.52 3h3k s ASP 263 CO 0.04 -0.16 1.98 -0.65 0.52 0.00 0.00 175.17 176.90 3h3k h PRO 264 N 5.63 0.38 -0.07 4.34 0.11 -1.68 -0.75 132.00 139.96 3h3k h PRO 264 Ca 0.22 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3h3k h PRO 264 Cb 0.95 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 3h3k h PRO 264 CO 0.30 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 3h3k h ALA 265 N 1.70 0.09 -0.35 -0.75 0.00 -1.92 -1.37 119.26 116.65 3h3k h ALA 265 Ca 0.28 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3h3k h ALA 265 Cb 0.58 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3h3k h ALA 265 CO -0.08 -0.24 0.17 1.25 0.00 0.00 0.00 179.25 180.36 3h3k h LEU 266 N -0.17 0.24 -0.08 0.00 5.85 -1.85 -0.64 115.31 118.67 3h3k h LEU 266 Ca 0.02 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3h3k h LEU 266 Cb 0.34 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3h3k h LEU 266 CO 0.00 0.18 -0.02 -1.28 -0.34 0.00 0.00 178.44 176.98 3h3k h SER 267 N 0.35 -0.07 -0.72 1.25 0.87 -1.10 0.23 113.55 114.35 3h3k h SER 267 Ca 0.15 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3h3k h SER 267 Cb 0.07 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3h3k h SER 267 CO -0.11 -0.03 0.25 -1.28 -0.53 0.00 0.00 176.83 175.13 3h3k h SER 268 N 0.00 1.04 -0.59 6.23 0.87 -1.18 -1.01 113.55 118.91 3h3k h SER 268 Ca 0.04 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 3h3k h SER 268 Cb 0.06 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3h3k h SER 268 CO -0.08 0.95 0.15 0.00 -0.53 0.00 0.00 176.83 177.31 3h3k h ALA 271 N 1.00 0.28 -0.22 0.00 0.00 -1.08 -0.09 119.26 119.15 3h3k h ALA 271 Ca 0.16 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3h3k h ALA 271 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3h3k h ALA 271 CO 0.04 -0.32 -0.52 -0.44 0.00 0.00 0.00 179.25 178.01 3h3k h ASP 272 N 0.21 0.69 -0.69 0.00 3.32 -1.44 -2.48 116.42 116.02 3h3k h ASP 272 Ca 0.11 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 3h3k h ASP 272 Cb 0.06 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3h3k h ASP 272 CO -0.10 1.08 0.34 0.00 -1.72 0.00 0.00 179.24 178.84 3h3k h ALA 273 N 0.94 0.89 -0.71 3.45 0.00 -1.21 -1.67 119.26 120.94 3h3k h ALA 273 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3h3k h ALA 273 Cb 1.07 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3h3k h ALA 273 CO 0.10 0.45 0.47 0.00 0.00 0.00 0.00 179.25 180.28 3h3k h ALA 274 N 1.16 0.91 -0.69 0.00 0.00 -0.91 -1.07 119.26 118.67 3h3k h ALA 274 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3h3k h ALA 274 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3h3k h ALA 274 CO -0.03 0.31 0.18 0.00 0.00 0.00 0.00 179.25 179.71 3h3k h ARG 275 N 0.95 1.09 -0.26 0.00 3.08 -1.15 -0.70 114.38 117.40 3h3k h ARG 275 Ca 0.27 -0.25 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 3h3k h ARG 275 Cb -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3h3k h ARG 275 CO -0.07 0.96 -0.46 0.00 -1.07 0.00 0.00 179.97 179.33 3h3k h ARG 276 N 1.04 0.68 -0.47 0.04 3.08 -1.09 -2.10 114.38 115.57 3h3k h ARG 276 Ca 0.22 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3h3k h ARG 276 Cb 0.35 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3h3k h ARG 276 CO -0.00 0.99 0.28 0.00 -1.07 0.00 0.00 179.97 180.17 3h3k h ALA 277 N 0.95 0.60 -0.59 0.04 0.00 -0.99 -2.29 119.26 116.98 3h3k h ALA 277 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3h3k h ALA 277 Cb 1.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3h3k h ALA 277 CO 0.09 0.09 0.14 -0.92 0.00 0.00 0.00 179.25 178.65 3h3k h TYR 278 N 0.62 0.95 -0.75 0.00 3.20 -1.01 -1.45 116.97 118.54 3h3k h TYR 278 Ca 0.17 -0.10 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3h3k h TYR 278 Cb -0.00 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 37.94 3h3k h TYR 278 CO -0.03 0.80 0.49 0.00 -1.64 0.00 0.00 178.16 177.78 3h3k h ALA 279 N 1.27 1.63 -0.34 1.82 0.00 -1.24 -1.86 119.26 120.54 3h3k h ALA 279 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3h3k h ALA 279 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3h3k h ALA 279 CO 0.00 0.26 0.05 2.35 0.00 0.00 0.00 179.25 181.91 3h3k h TRP 280 N 0.84 0.61 -0.94 0.00 7.01 -0.74 -2.96 115.95 119.77 3h3k h TRP 280 Ca 0.32 -0.09 0.08 0.00 2.11 0.00 0.00 58.89 61.31 3h3k h TRP 280 Cb 0.19 -0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 27.01 3h3k h TRP 280 CO -0.00 0.65 0.59 -0.07 -2.79 0.00 0.00 178.44 176.81 3h3k h LEU 281 N 0.40 0.91 -1.39 0.65 3.38 -0.77 -2.41 115.31 116.07 3h3k h LEU 281 Ca 0.10 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3h3k h LEU 281 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3h3k h LEU 281 CO 0.01 0.55 -0.30 1.23 0.09 0.00 0.00 178.44 180.01 3h3k h GLY 282 N 1.02 0.00 -1.43 0.83 0.00 -1.25 -3.03 103.07 99.22 3h3k h GLY 282 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3h3k h GLY 282 CO -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.32 3h3k n ALA 283 N -2.44 2.52 -2.42 3.60 0.00 -0.94 -4.98 120.51 115.86 3h3k n ALA 283 Ca -0.02 -0.61 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 3h3k n ALA 283 Cb 0.36 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 3h3k n ALA 283 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h3k s HIS 284 N -2.01 1.15 0.51 0.00 3.76 -1.03 -5.09 115.29 112.58 3h3k s HIS 284 Ca 0.31 -0.67 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 3h3k s HIS 284 Cb 0.20 -0.62 -0.08 0.00 1.11 0.00 0.00 32.58 33.20 3h3k s HIS 284 CO 0.32 0.04 0.99 -1.21 -0.85 0.00 0.00 174.74 174.02 3h3k s GLU 285 N -3.04 3.93 -1.27 1.40 2.02 -1.26 -4.89 118.70 115.59 3h3k s GLU 285 Ca 0.09 1.01 -0.18 0.00 0.02 0.00 0.00 54.97 55.91 3h3k s GLU 285 Cb -0.02 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 32.09 3h3k s GLU 285 CO 0.00 -0.29 1.95 -1.33 0.02 0.00 0.00 175.26 175.62 3h3k n MET 286 N -1.46 2.66 -3.37 1.61 2.81 -1.26 -4.83 117.12 113.28 3h3k n MET 286 Ca 0.07 -2.77 -0.39 0.00 -1.81 0.00 0.00 57.70 52.80 3h3k n MET 286 Cb 0.54 -3.39 -0.08 0.00 -0.71 0.00 0.00 33.22 29.58 3h3k n MET 286 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3h3k s GLN 287 N 4.28 4.09 0.52 0.03 2.00 -1.26 -4.97 119.66 124.35 3h3k s GLN 287 Ca 0.54 0.14 -0.23 0.00 -2.00 0.00 0.00 55.36 53.82 3h3k s GLN 287 Cb 0.08 -3.60 -0.06 0.00 0.80 0.00 0.00 33.01 30.23 3h3k s GLN 287 CO 0.04 -0.18 1.38 -2.14 -0.50 0.00 0.00 175.29 173.88 3h3k s PRO 288 N 1.77 3.29 0.13 1.67 0.02 -1.26 -4.30 135.00 136.33 3h3k s PRO 288 Ca 0.17 2.29 -0.26 0.00 0.02 0.00 0.00 61.00 63.22 3h3k s PRO 288 Cb -0.15 -2.37 -0.07 0.00 0.02 0.00 0.00 34.50 31.93 3h3k s PRO 288 CO 0.09 -1.09 0.80 0.12 -0.33 0.00 0.00 177.00 176.59 3h3k s PHE 289 N -1.27 3.86 0.03 6.54 5.36 -1.26 -5.02 117.98 126.22 3h3k s PHE 289 Ca 0.69 1.63 0.04 0.00 -0.96 0.00 0.00 56.93 58.32 3h3k s PHE 289 Cb -0.41 -2.82 -0.02 0.00 -0.34 0.00 0.00 43.02 39.42 3h3k s PHE 289 CO 0.50 0.41 -0.11 -1.01 -1.46 0.00 0.00 175.22 173.56 3h3k s HIS 290 N -0.73 0.95 0.13 10.12 3.76 -1.26 -4.49 115.29 123.78 3h3k s HIS 290 Ca 0.38 -0.36 -0.34 0.00 -0.15 0.00 0.00 55.06 54.59 3h3k s HIS 290 Cb -0.23 -0.57 -0.14 0.00 1.11 0.00 0.00 32.58 32.76 3h3k s HIS 290 CO 0.26 -0.00 1.58 0.09 -0.85 0.00 0.00 174.74 175.82 3h3k n ASN 291 N 1.91 3.01 -4.76 1.40 3.02 -1.26 -4.97 115.26 113.61 3h3k n ASN 291 Ca -0.19 1.08 -0.30 0.00 -0.03 0.00 0.00 54.58 55.14 3h3k n ASN 291 Cb 0.55 -1.40 0.12 0.00 -0.61 0.00 0.00 39.78 38.44 3h3k n ASN 291 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3h3k s PRO 292 N 1.13 1.54 0.39 3.52 0.04 -1.26 -4.94 135.00 135.41 3h3k s PRO 292 Ca 0.80 0.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.27 3h3k s PRO 292 Cb -0.70 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 3h3k s PRO 292 CO 0.40 -2.01 1.29 -0.51 0.04 0.00 0.00 177.00 176.21 3h3k s ASP 293 N -3.67 6.44 0.00 6.66 1.01 -1.26 -2.04 116.67 123.80 3h3k s ASP 293 Ca 0.62 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.53 3h3k s ASP 293 Cb -0.16 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.13 3h3k s ASP 293 CO 0.56 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.78 3h3k n GLY 294 N 0.69 1.16 3.29 0.21 0.00 -1.26 -5.01 105.19 104.28 3h3k n GLY 294 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3h3k n GLY 294 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3k s ILE 295 N -3.91 3.34 -0.45 -0.61 -1.09 -0.87 -4.69 121.20 112.93 3h3k s ILE 295 Ca 0.00 -0.62 0.05 0.00 -2.23 0.00 0.00 60.65 57.84 3h3k s ILE 295 Cb 0.00 -2.58 0.10 0.00 -1.58 0.00 0.00 42.46 38.40 3h3k s ILE 295 CO 0.00 0.34 0.97 0.18 -1.23 0.00 0.00 174.94 175.20 3h3k n LEU 296 N 4.78 2.10 -4.93 2.97 4.77 0.63 -4.61 117.00 122.70 3h3k n LEU 296 Ca -0.17 -1.71 -0.29 0.00 -0.03 0.00 0.00 56.01 53.81 3h3k n LEU 296 Cb 0.50 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.67 3h3k n LEU 296 CO 0.29 0.51 0.80 0.42 -1.33 0.00 0.00 177.39 178.08 3h3k s THR 297 N -0.82 2.04 -0.07 -5.08 -4.23 -1.25 -4.84 115.64 101.38 3h3k s THR 297 Ca 0.09 -0.10 -0.39 0.00 -1.18 0.00 0.00 61.69 60.11 3h3k s THR 297 Cb 0.05 -2.94 -0.17 0.00 1.34 0.00 0.00 72.50 70.78 3h3k s THR 297 CO 0.06 0.00 1.46 0.61 -0.54 0.00 0.00 174.62 176.22 3h3k n GLY 298 N -3.51 0.51 0.16 3.99 0.00 -1.26 -4.89 105.19 100.19 3h3k n GLY 298 Ca 0.13 0.80 -0.22 0.00 0.00 0.00 0.00 46.02 46.73 3h3k n GLY 298 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h3k h GLU 299 N 5.31 0.56 -6.89 1.61 4.81 -1.99 -3.48 114.58 114.51 3h3k h GLU 299 Ca -0.47 -0.82 -0.58 0.00 -0.13 0.00 0.00 59.36 57.35 3h3k h GLU 299 Cb 1.34 0.29 -0.16 0.00 0.63 0.00 0.00 28.75 30.85 3h3k h GLU 299 CO 0.84 1.38 -0.94 0.66 -0.73 0.00 0.00 179.01 180.21 3h3k n TYR 300 N -3.74 -1.39 -2.22 0.92 4.01 -1.26 -4.90 117.16 108.58 3h3k n TYR 300 Ca -0.14 0.66 -0.26 0.00 -0.16 0.00 0.00 57.90 58.00 3h3k n TYR 300 Cb 1.03 -3.11 0.06 0.00 -0.31 0.00 0.00 39.34 37.01 3h3k n TYR 300 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3h3k s GLY 301 N -4.37 1.68 -0.30 2.72 0.00 -1.26 -4.94 107.32 100.84 3h3k s GLY 301 Ca 0.01 -0.90 -0.17 0.00 0.00 0.00 0.00 44.72 43.66 3h3k s GLY 301 CO 0.96 -0.51 1.12 -0.35 0.00 0.00 0.00 173.10 174.33 3h3k s ASP 302 N -4.49 -0.35 0.29 1.64 2.15 -1.26 -5.00 116.67 109.64 3h3k s ASP 302 Ca 0.59 0.46 0.15 0.00 0.43 0.00 0.00 52.55 54.19 3h3k s ASP 302 Cb -0.11 1.39 0.13 0.00 -0.30 0.00 0.00 42.92 44.04 3h3k s ASP 302 CO 0.45 -0.07 1.47 0.00 -0.17 0.00 0.00 175.17 176.85 3h3k h ALA 303 N 7.35 0.70 -2.62 3.66 0.00 -1.97 -3.41 119.26 122.96 3h3k h ALA 303 Ca -0.14 -0.46 -0.70 0.00 0.00 0.00 0.00 54.91 53.61 3h3k h ALA 303 Cb 1.12 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.63 3h3k h ALA 303 CO 0.06 0.63 -0.46 -2.00 0.00 0.00 0.00 179.25 177.48 3h3k s GLU 304 N -3.03 3.21 0.00 0.00 2.56 -1.26 -4.85 118.70 115.33 3h3k s GLU 304 Ca 0.03 -0.85 0.08 0.00 0.00 0.00 0.00 54.97 54.24 3h3k s GLU 304 Cb 0.08 -3.88 0.06 0.00 2.00 0.00 0.00 34.13 32.39 3h3k s GLU 304 CO 0.74 -0.60 0.75 1.28 -0.56 0.00 0.00 175.26 176.87 3h3k n LEU 305 N 5.12 1.65 0.17 2.70 4.77 -1.26 -4.62 117.00 125.54 3h3k n LEU 305 Ca -0.12 -1.00 0.02 0.00 -0.03 0.00 0.00 56.01 54.88 3h3k n LEU 305 Cb 0.48 -0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.86 3h3k n LEU 305 CO 0.39 0.33 0.63 0.03 -1.33 0.00 0.00 177.39 177.43 3h3k h ARG 306 N 1.53 0.00 -0.18 3.23 3.08 -1.99 -2.66 114.38 117.39 3h3k h ARG 306 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3h3k h ARG 306 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3h3k h ARG 306 CO 0.00 0.46 -0.30 0.38 -1.07 0.00 0.00 179.97 179.45 3h3k h ASP 307 N 0.00 0.35 -0.31 7.04 2.03 -1.95 -0.54 116.42 123.03 3h3k h ASP 307 Ca -0.00 -0.12 -0.08 0.00 -0.73 0.00 0.00 57.03 56.09 3h3k h ASP 307 Cb 0.90 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.30 3h3k h ASP 307 CO 0.06 0.64 -0.12 -0.33 -1.03 0.00 0.00 179.24 178.45 3h3k h GLU 308 N 0.30 0.64 -0.88 4.15 3.07 -1.78 -1.58 114.58 118.50 3h3k h GLU 308 Ca 0.04 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 58.62 3h3k h GLU 308 Cb 0.68 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.53 3h3k h GLU 308 CO 0.05 0.85 0.50 1.25 -1.40 0.00 0.00 179.01 180.25 3h3k h LEU 309 N 0.41 1.09 -0.26 1.33 5.85 -1.38 -0.88 115.31 121.47 3h3k h LEU 309 Ca 0.07 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3h3k h LEU 309 Cb 0.64 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3h3k h LEU 309 CO 0.04 0.86 -0.00 0.25 -0.34 0.00 0.00 178.44 179.25 3h3k h LEU 310 N 1.22 -0.11 -0.27 2.25 6.46 -0.93 -0.04 115.31 123.90 3h3k h LEU 310 Ca 0.31 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 58.08 3h3k h LEU 310 Cb 0.01 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 3h3k h LEU 310 CO -0.05 -0.02 -0.01 -0.25 -0.62 0.00 0.00 178.44 177.49 3h3k h TRP 311 N 0.08 0.52 -0.54 1.25 7.01 -1.00 -0.79 115.95 122.48 3h3k h TRP 311 Ca 0.12 -0.09 0.03 0.00 2.11 0.00 0.00 58.89 61.06 3h3k h TRP 311 Cb 0.16 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 3h3k h TRP 311 CO -0.20 0.64 0.32 0.00 -2.79 0.00 0.00 178.44 176.40 3h3k h ALA 312 N 0.82 0.69 -0.24 2.65 0.00 -1.01 0.22 119.26 122.38 3h3k h ALA 312 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3h3k h ALA 312 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h3k h ALA 312 CO 0.02 0.03 0.03 0.77 0.00 0.00 0.00 179.25 180.09 3h3k h SER 313 N 0.63 0.39 -0.28 0.00 0.02 -0.86 -1.90 113.55 111.55 3h3k h SER 313 Ca 0.22 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 3h3k h SER 313 Cb 0.04 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3h3k h SER 313 CO -0.10 0.57 -0.25 0.00 -1.14 0.00 0.00 176.83 175.90 3h3k h ALA 315 N 1.05 0.69 -0.30 0.00 0.00 -0.91 -1.52 119.26 118.27 3h3k h ALA 315 Ca 0.09 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3h3k h ALA 315 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h3k h ALA 315 CO 0.06 0.19 -0.34 -0.07 0.00 0.00 0.00 179.25 179.08 3h3k h LEU 316 N 0.73 0.70 -0.26 0.00 3.38 -1.19 -0.78 115.31 117.90 3h3k h LEU 316 Ca 0.19 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3h3k h LEU 316 Cb -0.00 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 3h3k h LEU 316 CO -0.04 0.99 -0.24 0.25 0.09 0.00 0.00 178.44 179.49 3h3k h LEU 317 N 0.56 -0.79 -0.48 1.67 5.85 -0.66 -1.37 115.31 120.09 3h3k h LEU 317 Ca 0.06 0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.76 3h3k h LEU 317 Cb 0.86 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3h3k h LEU 317 CO 0.07 -0.28 -0.48 -0.09 -0.34 0.00 0.00 178.44 177.33 3h3k h ARG 318 N -0.24 0.71 -0.57 1.25 2.43 -1.18 0.36 114.38 117.13 3h3k h ARG 318 Ca 0.14 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3h3k h ARG 318 Cb 0.46 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3h3k h ARG 318 CO -0.40 1.03 0.37 1.98 -1.51 0.00 0.00 179.97 181.44 3h3k h MET 319 N 0.56 0.76 0.00 0.20 4.05 -0.97 -3.27 114.93 116.26 3h3k h MET 319 Ca 0.03 -0.05 -0.30 0.00 -0.28 0.00 0.00 59.70 59.10 3h3k h MET 319 Cb 1.04 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 31.62 3h3k h MET 319 CO 0.10 0.51 -1.76 0.25 0.23 0.00 0.00 176.91 176.24 3h3k n THR 320 N -4.68 1.60 -1.11 -0.77 -2.24 -0.53 -4.97 114.28 101.58 3h3k n THR 320 Ca 0.04 -0.80 -0.04 0.00 -2.27 0.00 0.00 64.05 60.98 3h3k n THR 320 Cb 0.03 -1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 67.24 3h3k n THR 320 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h3k n GLY 321 N 1.58 0.60 3.60 3.38 0.00 0.12 -4.98 105.19 109.50 3h3k n GLY 321 Ca -0.18 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3h3k n GLY 321 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h3k s ASP 322 N -2.34 6.54 0.62 1.61 2.15 -1.24 -4.85 116.67 119.15 3h3k s ASP 322 Ca 0.00 0.51 0.33 0.00 0.43 0.00 0.00 52.55 53.82 3h3k s ASP 322 Cb 0.00 -2.35 1.89 0.00 -0.30 0.00 0.00 42.92 42.17 3h3k s ASP 322 CO 0.00 -0.50 2.18 0.77 -0.17 0.00 0.00 175.17 177.46 3h3k h SER 323 N 8.14 0.00 -0.92 -0.34 4.64 -1.92 -2.07 113.55 121.08 3h3k h SER 323 Ca -0.26 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.28 3h3k h SER 323 Cb 1.11 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 3h3k h SER 323 CO 0.82 0.00 0.62 0.00 -0.87 0.00 0.00 176.83 177.39 3h3k h ALA 324 N 1.82 2.36 0.00 5.18 0.00 -1.92 -1.14 119.26 125.56 3h3k h ALA 324 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h3k h ALA 324 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h3k h ALA 324 CO -0.00 -0.65 -0.19 -1.49 0.00 0.00 0.00 179.25 176.92 3h3k h TRP 325 N 0.31 0.00 0.00 0.00 4.06 -1.75 -3.08 115.95 115.49 3h3k h TRP 325 Ca 0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.43 3h3k h TRP 325 Cb 1.34 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.50 3h3k h TRP 325 CO -0.00 0.19 0.00 0.00 -3.56 0.00 0.00 178.44 175.07 3h3k h ALA 326 N 1.81 1.00 -0.93 1.49 0.00 -1.40 -2.15 119.26 119.09 3h3k h ALA 326 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h3k h ALA 326 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3h3k h ALA 326 CO 0.02 0.00 0.60 0.00 0.00 0.00 0.00 179.25 179.88 3h3k h ARG 327 N 0.00 1.24 0.03 0.00 3.08 -1.67 -2.57 114.38 114.48 3h3k h ARG 327 Ca 0.00 -0.08 -0.31 0.00 0.07 0.00 0.00 59.98 59.66 3h3k h ARG 327 Cb 0.37 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3h3k h ARG 327 CO 0.00 0.83 -1.77 1.55 -1.07 0.00 0.00 179.97 179.51 3h3k n VAL 328 N -4.38 1.64 0.12 2.04 3.14 -0.92 -4.39 118.33 115.58 3h3k n VAL 328 Ca 0.11 -0.77 -0.13 0.00 -2.96 0.00 0.00 64.34 60.59 3h3k n VAL 328 Cb 0.03 -1.17 -0.08 0.00 -1.06 0.00 0.00 33.84 31.55 3h3k n VAL 328 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3h3k h GLU 330 N -0.69 0.98 -0.00 0.00 5.08 -1.67 0.47 114.58 118.76 3h3k h GLU 330 Ca -0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3h3k h GLU 330 Cb 0.48 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3h3k h GLU 330 CO 0.05 0.65 -0.04 -1.00 -1.00 0.00 0.00 179.01 177.67 3h3k h PRO 331 N 1.01 0.00 -0.02 2.33 0.13 -1.77 -2.43 132.00 131.26 3h3k h PRO 331 Ca 0.28 -0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.20 3h3k h PRO 331 Cb -0.11 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.02 3h3k h PRO 331 CO -0.06 0.05 -0.87 -0.07 -0.23 0.00 0.00 178.00 176.81 3h3k h LEU 332 N 0.00 0.44 -2.12 1.56 3.38 -1.07 -3.12 115.31 114.39 3h3k h LEU 332 Ca 0.00 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3h3k h LEU 332 Cb 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3h3k h LEU 332 CO 0.01 1.12 -0.07 -0.07 0.09 0.00 0.00 178.44 179.52 3h3k h LEU 333 N 0.21 0.00 -0.43 1.67 3.38 -0.80 -2.45 115.31 116.90 3h3k h LEU 333 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3h3k h LEU 333 Cb 1.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3h3k h LEU 333 CO 0.15 0.07 -0.20 -0.78 0.09 0.00 0.00 178.44 177.76 3h3k h ASP 334 N 0.00 0.00 -4.16 -0.43 3.58 -1.38 -3.47 116.42 110.56 3h3k h ASP 334 Ca -0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.91 3h3k h ASP 334 Cb 0.26 0.00 0.15 0.00 1.72 0.00 0.00 39.33 41.46 3h3k h ASP 334 CO 0.01 0.20 0.41 -0.76 -2.88 0.00 0.00 179.24 176.22 3h3k s LEU 335 N -6.41 3.38 -0.01 2.28 1.43 -0.92 -4.89 118.68 113.54 3h3k s LEU 335 Ca 0.04 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 3h3k s LEU 335 Cb 0.07 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 41.71 3h3k s LEU 335 CO 0.67 -2.14 1.58 0.47 0.23 0.00 0.00 176.35 177.16 3h3k n ASP 336 N -2.51 4.38 -4.75 2.29 8.00 -1.26 -4.92 116.55 117.77 3h3k n ASP 336 Ca 0.14 -2.26 -0.37 0.00 0.71 0.00 0.00 54.79 53.01 3h3k n ASP 336 Cb 0.50 -0.86 0.03 0.00 -0.02 0.00 0.00 41.12 40.77 3h3k n ASP 336 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3h3k s LEU 337 N -0.05 3.73 0.29 0.64 1.43 -1.26 -4.97 118.68 118.48 3h3k s LEU 337 Ca 0.01 2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 55.30 3h3k s LEU 337 Cb 0.01 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.63 3h3k s LEU 337 CO 0.00 -1.57 1.27 -2.16 0.23 0.00 0.00 176.35 174.12 3h3k s PRO 338 N -3.19 4.42 -0.98 1.29 0.04 -1.26 -4.96 135.00 130.36 3h3k s PRO 338 Ca 0.76 2.10 -0.12 0.00 0.04 0.00 0.00 61.00 63.77 3h3k s PRO 338 Cb -0.33 -3.13 0.24 0.00 0.04 0.00 0.00 34.50 31.32 3h3k s PRO 338 CO 0.37 -0.13 0.98 -1.58 0.04 0.00 0.00 177.00 176.68 3h3k s TRP 339 N -0.81 3.94 0.43 0.56 0.52 -1.26 -4.23 118.94 118.09 3h3k s TRP 339 Ca 0.50 -2.28 0.03 0.00 0.02 0.00 0.00 56.10 54.38 3h3k s TRP 339 Cb -0.37 -3.88 -0.04 0.00 -1.15 0.00 0.00 33.47 28.02 3h3k s TRP 339 CO 0.47 -1.02 0.04 -1.21 0.02 0.00 0.00 176.95 175.25 3h3k s GLU 340 N -0.25 1.99 -0.39 4.98 2.02 -1.25 -4.46 118.70 121.34 3h3k s GLU 340 Ca 0.26 -2.20 0.05 0.00 0.02 0.00 0.00 54.97 53.10 3h3k s GLU 340 Cb -0.09 -1.22 0.45 0.00 0.10 0.00 0.00 34.13 33.36 3h3k s GLU 340 CO -0.08 -0.29 1.35 1.28 0.02 0.00 0.00 175.26 177.54 3h3k n LEU 341 N -1.02 5.46 0.00 1.80 4.77 -1.12 -1.72 117.00 125.17 3h3k n LEU 341 Ca -0.10 -4.72 0.00 0.00 -0.03 0.00 0.00 56.01 51.16 3h3k n LEU 341 Cb 0.66 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3h3k n LEU 341 CO 0.41 2.00 0.00 0.61 -1.33 0.00 0.00 177.39 179.08 3h3k n GLY 342 N -0.72 -2.39 0.22 -0.72 0.00 0.79 -4.94 105.19 97.43 3h3k n GLY 342 Ca 0.47 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 45.03 3h3k n GLY 342 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3h3k h TRP 343 N 0.00 0.00 0.05 1.61 5.08 -1.96 -3.42 115.95 117.31 3h3k h TRP 343 Ca 0.00 0.00 -0.36 0.00 1.08 0.00 0.00 58.89 59.61 3h3k h TRP 343 Cb 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 3h3k h TRP 343 CO 0.00 0.06 -2.13 0.00 -1.28 0.00 0.00 178.44 175.08 3h3k n ALA 344 N -2.11 1.23 -3.63 0.11 0.00 -1.26 -4.75 120.51 110.09 3h3k n ALA 344 Ca 0.03 -0.86 -0.39 0.00 0.00 0.00 0.00 53.44 52.22 3h3k n ALA 344 Cb 0.51 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 3h3k n ALA 344 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h3k s ASP 345 N -6.53 5.55 -0.08 0.00 1.11 -1.26 -4.91 116.67 110.55 3h3k s ASP 345 Ca -0.21 -2.00 0.12 0.00 0.18 0.00 0.00 52.55 50.64 3h3k s ASP 345 Cb 0.07 -1.95 0.29 0.00 1.07 0.00 0.00 42.92 42.40 3h3k s ASP 345 CO 0.74 -0.63 1.21 1.33 1.18 0.00 0.00 175.17 179.00 3h3k n VAL 346 N 4.74 1.56 -0.06 -1.27 0.24 -1.25 -0.15 118.33 122.15 3h3k n VAL 346 Ca -0.05 -1.55 0.04 0.00 -2.04 0.00 0.00 64.34 60.73 3h3k n VAL 346 Cb 0.41 0.11 0.38 0.00 -1.47 0.00 0.00 33.84 33.28 3h3k n VAL 346 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h3k h ALA 347 N 0.95 1.66 0.00 2.33 0.00 -1.71 -2.55 119.26 119.95 3h3k h ALA 347 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3h3k h ALA 347 Cb 0.93 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h3k h ALA 347 CO 0.06 0.31 -0.20 1.25 0.00 0.00 0.00 179.25 180.67 3h3k h LEU 348 N 0.66 0.00 -0.64 0.00 5.85 -1.55 -0.25 115.31 119.38 3h3k h LEU 348 Ca 0.19 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3h3k h LEU 348 Cb -0.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3h3k h LEU 348 CO -0.04 0.20 0.40 1.88 -0.34 0.00 0.00 178.44 180.54 3h3k h TYR 349 N 0.00 0.76 -0.20 1.25 0.05 -1.59 -1.41 116.97 115.83 3h3k h TYR 349 Ca -0.00 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 3h3k h TYR 349 Cb 0.37 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3h3k h TYR 349 CO 0.00 0.44 -0.03 0.78 -1.05 0.00 0.00 178.16 178.30 3h3k h GLY 350 N 0.80 0.40 0.02 3.88 0.00 -1.23 -2.11 103.07 104.83 3h3k h GLY 350 Ca 0.26 -0.31 0.17 0.00 0.00 0.00 0.00 47.33 47.44 3h3k h GLY 350 CO -0.10 0.29 0.31 -2.08 0.00 0.00 0.00 176.54 174.96 3h3k h VAL 351 N 0.10 0.58 -0.54 4.60 2.07 -1.00 0.06 116.25 122.12 3h3k h VAL 351 Ca 0.05 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 3h3k h VAL 351 Cb 0.45 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3h3k h VAL 351 CO 0.02 0.07 -0.11 0.24 0.02 0.00 0.00 177.57 177.81 3h3k h MET 352 N 0.41 1.03 -0.43 1.57 2.07 -1.04 0.05 114.93 118.59 3h3k h MET 352 Ca 0.45 -0.39 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 3h3k h MET 352 Cb 0.75 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 30.40 3h3k h MET 352 CO -0.46 1.08 0.21 -0.44 1.07 0.00 0.00 176.91 178.37 3h3k h ASP 353 N 0.91 0.56 0.02 1.22 3.32 -0.78 -0.98 116.42 120.68 3h3k h ASP 353 Ca 0.14 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3h3k h ASP 353 Cb 0.69 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3h3k h ASP 353 CO 0.05 0.52 -0.07 0.22 -1.72 0.00 0.00 179.24 178.24 3h3k h TYR 354 N 0.55 -0.17 0.00 4.55 3.20 -0.76 -2.54 116.97 121.79 3h3k h TYR 354 Ca 0.15 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3h3k h TYR 354 Cb 0.11 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3h3k h TYR 354 CO -0.01 -0.11 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.09 3h3k h LEU 355 N -0.13 0.00 -1.45 2.82 4.07 -0.92 -2.25 115.31 117.45 3h3k h LEU 355 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3h3k h LEU 355 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3h3k h LEU 355 CO -0.05 0.24 0.00 0.54 -1.08 0.00 0.00 178.44 178.09 3h3k n ARG 356 N -4.23 1.93 -2.92 1.13 1.74 -0.38 -4.87 116.66 109.06 3h3k n ARG 356 Ca -0.02 -1.42 -0.37 0.00 -0.77 0.00 0.00 57.85 55.26 3h3k n ARG 356 Cb 0.30 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 3h3k n ARG 356 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h3k s THR 357 N -1.55 4.35 0.05 0.55 2.01 -0.85 -5.00 115.64 115.19 3h3k s THR 357 Ca 0.30 1.65 -0.38 0.00 0.31 0.00 0.00 61.69 63.56 3h3k s THR 357 Cb 0.16 -4.01 -0.18 0.00 0.01 0.00 0.00 72.50 68.48 3h3k s THR 357 CO 0.22 0.26 1.21 -2.65 -0.69 0.00 0.00 174.62 172.97 3h3k n PRO 358 N 0.88 0.62 0.09 4.92 -0.02 -1.26 -4.83 135.00 135.41 3h3k n PRO 358 Ca -0.01 0.22 0.17 0.00 -2.02 0.00 0.00 63.50 61.86 3h3k n PRO 358 Cb 0.50 -1.80 0.70 0.00 -0.02 0.00 0.00 33.50 32.88 3h3k n PRO 358 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3k h ARG 359 N 3.82 0.00 0.00 -0.52 3.08 -1.94 -0.81 114.38 118.01 3h3k h ARG 359 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 3h3k h ARG 359 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 3h3k h ARG 359 CO 0.72 0.00 -0.12 0.00 -1.07 0.00 0.00 179.97 179.50 3h3k h ALA 360 N 1.80 1.55 0.00 0.04 0.00 -2.01 -2.96 119.26 117.68 3h3k h ALA 360 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h3k h ALA 360 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3h3k h ALA 360 CO -0.00 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3h3k n ALA 361 N -2.40 2.30 -2.42 0.00 0.00 -0.31 -4.91 120.51 112.78 3h3k n ALA 361 Ca -0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 3h3k n ALA 361 Cb 0.21 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 3h3k n ALA 361 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h3k s VAL 362 N -3.04 1.70 -0.04 0.00 -7.23 -1.12 -4.39 120.40 106.28 3h3k s VAL 362 Ca 0.13 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 3h3k s VAL 362 Cb 0.17 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 3h3k s VAL 362 CO 0.55 -0.35 1.26 -0.44 -0.31 0.00 0.00 175.10 175.81 3h3k s SER 363 N -3.43 6.99 0.33 4.85 0.01 -1.26 -4.93 113.70 116.26 3h3k s SER 363 Ca 0.28 1.89 0.04 0.00 1.31 0.00 0.00 55.95 59.48 3h3k s SER 363 Cb 0.03 -2.56 0.58 0.00 0.21 0.00 0.00 66.02 64.27 3h3k s SER 363 CO 0.11 -0.63 1.86 0.44 0.41 0.00 0.00 173.24 175.43 3h3k h ASP 364 N 7.60 0.50 0.62 2.44 3.32 -1.99 -1.51 116.42 127.41 3h3k h ASP 364 Ca -0.35 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3h3k h ASP 364 Cb 1.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3h3k h ASP 364 CO 0.89 0.59 -0.42 -0.78 -1.72 0.00 0.00 179.24 177.80 3h3k h ASP 365 N 0.51 -1.07 -0.68 6.45 3.58 -2.00 -2.44 116.42 120.76 3h3k h ASP 365 Ca 0.11 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.67 3h3k h ASP 365 Cb 0.36 0.32 -0.05 0.00 1.72 0.00 0.00 39.33 41.69 3h3k h ASP 365 CO 0.01 -0.63 0.40 0.58 -2.88 0.00 0.00 179.24 176.72 3h3k h VAL 366 N -0.99 1.02 -0.73 2.25 2.07 -1.94 -2.54 116.25 115.39 3h3k h VAL 366 Ca -0.08 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3h3k h VAL 366 Cb 0.82 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3h3k h VAL 366 CO 0.05 0.14 0.48 -0.09 0.02 0.00 0.00 177.57 178.17 3h3k h ARG 367 N 0.76 0.94 -0.11 1.57 2.43 -1.21 0.10 114.38 118.86 3h3k h ARG 367 Ca 0.29 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 3h3k h ARG 367 Cb 0.12 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3h3k h ARG 367 CO -0.15 0.62 -0.48 -0.91 -1.51 0.00 0.00 179.97 177.54 3h3k h ASN 368 N 0.97 0.31 -0.45 -3.80 -0.26 -1.26 -1.29 115.58 109.80 3h3k h ASN 368 Ca 0.28 -0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.79 3h3k h ASN 368 Cb -0.08 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 3h3k h ASN 368 CO -0.07 0.75 -0.03 0.11 -1.06 0.00 0.00 177.43 177.13 3h3k h LYS 369 N 0.23 0.81 -0.34 0.81 1.57 -0.96 -0.43 116.57 118.28 3h3k h LYS 369 Ca 0.01 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3h3k h LYS 369 Cb 0.94 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3h3k h LYS 369 CO 0.08 0.89 0.19 0.28 -0.57 0.00 0.00 179.45 180.31 3h3k h VAL 370 N 0.66 1.02 -0.68 0.50 2.07 -0.69 -1.29 116.25 117.83 3h3k h VAL 370 Ca 0.12 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3h3k h VAL 370 Cb 0.54 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3h3k h VAL 370 CO 0.03 0.07 0.21 0.11 0.02 0.00 0.00 177.57 178.01 3h3k h LYS 371 N 0.38 1.04 -0.38 1.57 1.57 -1.16 -1.08 116.57 118.52 3h3k h LYS 371 Ca 0.13 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3h3k h LYS 371 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3h3k h LYS 371 CO -0.07 0.89 0.21 0.77 -0.57 0.00 0.00 179.45 180.68 3h3k h SER 372 N 1.00 0.47 -0.32 0.86 0.02 -0.90 -1.55 113.55 113.13 3h3k h SER 372 Ca 0.22 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3h3k h SER 372 Cb 0.28 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3h3k h SER 372 CO -0.01 0.42 0.12 -0.09 -1.14 0.00 0.00 176.83 176.12 3h3k h ARG 373 N 0.49 0.49 -0.72 3.45 2.43 -0.96 -1.56 114.38 118.01 3h3k h ARG 373 Ca 0.13 -0.10 0.14 0.00 -0.81 0.00 0.00 59.98 59.34 3h3k h ARG 373 Cb 0.05 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.43 3h3k h ARG 373 CO -0.02 0.51 0.25 1.25 -1.51 0.00 0.00 179.97 180.45 3h3k h LEU 374 N 0.37 0.20 -0.38 3.80 5.85 -1.09 -0.24 115.31 123.82 3h3k h LEU 374 Ca 0.11 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3h3k h LEU 374 Cb 0.21 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3h3k h LEU 374 CO -0.01 0.07 0.15 0.25 -0.34 0.00 0.00 178.44 178.56 3h3k h LEU 375 N 0.39 0.52 -0.87 2.25 5.85 -0.94 -1.61 115.31 120.90 3h3k h LEU 375 Ca 0.39 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3h3k h LEU 375 Cb 0.59 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3h3k h LEU 375 CO -0.41 0.55 0.53 0.03 -0.34 0.00 0.00 178.44 178.81 3h3k h ARG 376 N 0.46 1.17 -0.28 1.25 3.08 -0.65 0.19 114.38 119.61 3h3k h ARG 376 Ca 0.12 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3h3k h ARG 376 Cb 0.20 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3h3k h ARG 376 CO -0.01 0.81 0.14 0.93 -1.07 0.00 0.00 179.97 180.77 3h3k h GLU 377 N 1.19 0.28 -0.68 0.04 4.39 -0.86 -1.18 114.58 117.76 3h3k h GLU 377 Ca 0.31 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.92 3h3k h GLU 377 Cb -0.06 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 3h3k h GLU 377 CO -0.06 0.19 0.12 -0.07 -1.16 0.00 0.00 179.01 178.03 3h3k h LEU 378 N 0.29 1.08 -0.61 1.33 3.38 -0.97 -1.46 115.31 118.36 3h3k h LEU 378 Ca 0.12 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3h3k h LEU 378 Cb 0.04 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3h3k h LEU 378 CO -0.08 1.06 0.33 0.44 0.09 0.00 0.00 178.44 180.28 3h3k h ASP 379 N 1.05 0.49 -0.30 -0.43 3.32 -0.81 0.10 116.42 119.84 3h3k h ASP 379 Ca 0.21 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3h3k h ASP 379 Cb 0.44 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3h3k h ASP 379 CO 0.01 0.32 0.16 0.00 -1.72 0.00 0.00 179.24 178.01 3h3k h ALA 380 N 1.32 0.38 -0.85 3.45 0.00 -0.82 -1.01 119.26 121.73 3h3k h ALA 380 Ca 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3h3k h ALA 380 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3h3k h ALA 380 CO -0.17 -0.09 0.56 -0.07 0.00 0.00 0.00 179.25 179.48 3h3k h LEU 381 N 0.36 0.97 -1.23 0.00 3.38 -1.05 -2.09 115.31 115.65 3h3k h LEU 381 Ca 0.10 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3h3k h LEU 381 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3h3k h LEU 381 CO -0.02 0.70 0.52 0.00 0.09 0.00 0.00 178.44 179.73 3h3k h ALA 382 N 1.31 1.44 -0.42 1.53 0.00 -0.48 -1.77 119.26 120.86 3h3k h ALA 382 Ca 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3h3k h ALA 382 Cb -0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 3h3k h ALA 382 CO -0.07 0.52 0.15 0.00 0.00 0.00 0.00 179.25 179.85 3h3k h ALA 383 N 1.51 0.55 -0.87 0.00 0.00 -0.71 -1.56 119.26 118.19 3h3k h ALA 383 Ca 0.29 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3h3k h ALA 383 Cb -0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 3h3k h ALA 383 CO -0.06 0.18 0.52 0.52 0.00 0.00 0.00 179.25 180.40 3h3k h MET 384 N 0.54 0.85 -0.35 0.00 2.07 -0.94 -2.64 114.93 114.46 3h3k h MET 384 Ca 0.14 -0.05 -0.11 0.00 -2.07 0.00 0.00 59.70 57.61 3h3k h MET 384 Cb 0.23 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.75 3h3k h MET 384 CO -0.01 0.56 -0.24 0.00 1.07 0.00 0.00 176.91 178.29 3h3k h ALA 385 N 1.46 0.91 -0.76 6.32 0.00 -0.97 -2.47 119.26 123.76 3h3k h ALA 385 Ca 0.41 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h3k h ALA 385 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3h3k h ALA 385 CO -0.23 0.62 0.36 0.93 0.00 0.00 0.00 179.25 180.92 3h3k h GLU 386 N 0.61 1.10 0.00 0.00 5.08 -0.95 -3.02 114.58 117.40 3h3k h GLU 386 Ca 0.08 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3h3k h GLU 386 Cb 0.74 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3h3k h GLU 386 CO 0.06 0.86 -0.10 -1.13 -1.00 0.00 0.00 179.01 177.70 3h3k n SER 387 N -4.38 0.11 -4.77 1.42 3.41 -1.04 -4.83 113.62 103.55 3h3k n SER 387 Ca 0.07 0.36 -0.39 0.00 -0.26 0.00 0.00 58.87 58.64 3h3k n SER 387 Cb 0.14 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 3h3k n SER 387 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3h3k s HIS 388 N -3.00 3.69 0.34 7.33 5.04 -0.95 -4.98 115.29 122.76 3h3k s HIS 388 Ca 0.13 1.21 0.02 0.00 -1.54 0.00 0.00 55.06 54.88 3h3k s HIS 388 Cb 0.19 -2.60 0.58 0.00 0.04 0.00 0.00 32.58 30.79 3h3k s HIS 388 CO 0.56 0.36 1.97 -1.00 -2.34 0.00 0.00 174.74 174.30 3h3k h PRO 389 N 5.57 0.82 -0.30 2.88 0.13 -1.86 -1.72 132.00 137.52 3h3k h PRO 389 Ca -0.45 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3h3k h PRO 389 Cb 1.20 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3h3k h PRO 389 CO 0.69 0.59 0.00 1.19 -0.23 0.00 0.00 178.00 180.25 3h3k n PHE 390 N -4.40 0.40 -2.04 1.56 3.72 -1.26 -4.94 117.46 110.50 3h3k n PHE 390 Ca 0.06 -0.20 -0.18 0.00 -0.05 0.00 0.00 57.45 57.08 3h3k n PHE 390 Cb 0.08 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 3h3k n PHE 390 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h3k n GLY 391 N 1.03 0.42 3.85 1.37 0.00 -0.65 -4.88 105.19 106.34 3h3k n GLY 391 Ca 0.12 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3h3k n GLY 391 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h3k s ILE 392 N -2.81 5.20 -1.21 -0.61 -4.36 -1.26 -4.75 121.20 111.40 3h3k s ILE 392 Ca 0.00 -0.16 -0.18 0.00 -0.26 0.00 0.00 60.65 60.05 3h3k s ILE 392 Cb 0.00 -3.37 -0.02 0.00 1.25 0.00 0.00 42.46 40.32 3h3k s ILE 392 CO 0.00 0.41 2.00 -0.81 0.24 0.00 0.00 174.94 176.78 3h3k n PRO 393 N 1.28 2.42 -3.85 0.37 -0.04 -1.26 -3.91 135.00 130.01 3h3k n PRO 393 Ca -0.14 -2.55 -0.12 0.00 -0.04 0.00 0.00 63.50 60.66 3h3k n PRO 393 Cb 0.53 -3.30 -0.10 0.00 -0.04 0.00 0.00 33.50 30.58 3h3k n PRO 393 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3h3k s MET 394 N 4.34 0.45 0.36 0.54 -1.94 -1.26 -4.90 119.30 116.89 3h3k s MET 394 Ca 0.54 -0.24 0.09 0.00 -1.71 0.00 0.00 55.69 54.37 3h3k s MET 394 Cb 0.10 0.19 -0.07 0.00 2.01 0.00 0.00 34.83 37.06 3h3k s MET 394 CO 0.03 -0.10 -0.02 1.03 -0.01 0.00 0.00 175.02 175.95 3h3k s ARG 395 N -1.07 1.94 0.35 2.03 0.52 -1.26 -4.83 118.95 116.64 3h3k s ARG 395 Ca -0.11 -1.93 0.09 0.00 -0.52 0.00 0.00 55.73 53.26 3h3k s ARG 395 Cb -0.06 -1.76 0.82 0.00 0.52 0.00 0.00 34.95 34.47 3h3k s ARG 395 CO 0.02 0.07 1.85 -0.44 0.02 0.00 0.00 175.30 176.82 3h3k h ASP 396 N 1.87 0.66 0.92 0.23 3.32 -2.01 -1.31 116.42 120.10 3h3k h ASP 396 Ca -0.43 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3h3k h ASP 396 Cb 1.25 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3h3k h ASP 396 CO 0.72 0.31 0.00 -0.90 -1.72 0.00 0.00 179.24 177.65 3h3k n ASP 397 N -4.59 0.70 0.00 6.45 3.85 -1.26 -2.49 116.55 119.21 3h3k n ASP 397 Ca 0.19 0.64 0.14 0.00 -0.71 0.00 0.00 54.79 55.05 3h3k n ASP 397 Cb 0.51 -0.80 0.64 0.00 -1.35 0.00 0.00 41.12 40.13 3h3k n ASP 397 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3h3k n ASP 398 N -2.23 0.00 -4.50 -1.12 8.00 -0.49 -4.52 116.55 111.69 3h3k n ASP 398 Ca 0.03 0.39 -0.44 0.00 0.71 0.00 0.00 54.79 55.49 3h3k n ASP 398 Cb 0.28 -0.46 -0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3h3k n ASP 398 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3h3k s PHE 399 N -2.93 3.30 0.29 1.24 0.08 -1.04 -4.72 117.98 114.20 3h3k s PHE 399 Ca 0.16 -1.99 0.02 0.00 0.12 0.00 0.00 56.93 55.24 3h3k s PHE 399 Cb 0.19 -4.43 0.02 0.00 -0.57 0.00 0.00 43.02 38.22 3h3k s PHE 399 CO 0.52 -1.51 0.13 0.44 -0.10 0.00 0.00 175.22 174.70 3h3k n ILE 400 N 5.11 0.00 -1.68 0.64 -5.35 -1.25 -0.74 119.36 116.09 3h3k n ILE 400 Ca 0.40 -1.23 -0.50 0.00 -0.27 0.00 0.00 62.75 61.15 3h3k n ILE 400 Cb 0.44 -0.04 -0.05 0.00 -1.74 0.00 0.00 39.64 38.25 3h3k n ILE 400 CO 0.00 0.00 0.00 1.87 -1.76 0.00 0.00 176.55 176.66 3h3k n TRP 401 N -0.99 2.23 -2.64 4.28 -0.00 -1.26 -1.32 117.44 117.74 3h3k n TRP 401 Ca -0.05 0.17 -0.08 0.00 -0.00 0.00 0.00 57.50 57.54 3h3k n TRP 401 Cb 0.34 -2.59 0.02 0.00 -0.00 0.00 0.00 31.31 29.08 3h3k n TRP 401 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3h3k n GLY 402 N 4.13 0.35 0.28 5.87 0.00 -1.25 -4.95 105.19 109.62 3h3k n GLY 402 Ca 0.22 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3h3k n GLY 402 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h3k h SER 403 N -0.62 0.24 -0.32 1.61 4.64 -0.41 -0.77 113.55 117.91 3h3k h SER 403 Ca -0.18 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3h3k h SER 403 Cb 1.12 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 3h3k h SER 403 CO 0.19 0.18 0.21 0.78 -0.87 0.00 0.00 176.83 177.32 3h3k h ASN 404 N 0.28 0.38 -0.13 4.97 -0.26 -1.21 -1.33 115.58 118.28 3h3k h ASN 404 Ca 0.07 -0.01 -0.20 0.00 -0.56 0.00 0.00 56.30 55.60 3h3k h ASN 404 Cb -0.01 -0.09 0.01 0.00 -1.06 0.00 0.00 38.32 37.16 3h3k h ASN 404 CO -0.01 0.28 -0.70 -0.03 -1.06 0.00 0.00 177.43 175.91 3h3k h MET 405 N 0.44 0.70 -0.53 0.81 4.05 -1.36 -1.38 114.93 117.67 3h3k h MET 405 Ca 0.12 -0.58 0.10 0.00 -0.28 0.00 0.00 59.70 59.06 3h3k h MET 405 Cb -0.04 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 30.80 3h3k h MET 405 CO -0.03 1.19 0.06 0.28 0.23 0.00 0.00 176.91 178.65 3h3k h VAL 406 N 0.39 0.64 0.01 -5.77 2.07 -1.00 0.45 116.25 113.04 3h3k h VAL 406 Ca -0.05 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3h3k h VAL 406 Cb 1.33 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3h3k h VAL 406 CO 0.14 0.03 -0.00 0.25 0.02 0.00 0.00 177.57 178.01 3h3k h LEU 407 N 0.18 -0.01 -0.62 2.57 5.85 -1.24 -2.77 115.31 119.27 3h3k h LEU 407 Ca 0.27 -0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 3h3k h LEU 407 Cb 0.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3h3k h LEU 407 CO -0.40 0.14 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.48 3h3k h LEU 408 N -0.16 0.81 -1.20 2.25 3.38 -0.91 -1.98 115.31 117.49 3h3k h LEU 408 Ca -0.00 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3h3k h LEU 408 Cb 0.16 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3h3k h LEU 408 CO 0.00 1.04 0.55 0.78 0.09 0.00 0.00 178.44 180.90 3h3k h ASN 409 N 0.67 0.92 -0.50 -0.43 2.35 -0.95 0.12 115.58 117.76 3h3k h ASN 409 Ca 0.08 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 3h3k h ASN 409 Cb 0.82 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3h3k h ASN 409 CO 0.07 0.65 -0.14 0.03 -1.65 0.00 0.00 177.43 176.39 3h3k h ARG 410 N 1.08 0.98 -0.62 0.81 3.08 -1.13 -0.57 114.38 118.01 3h3k h ARG 410 Ca 0.31 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3h3k h ARG 410 Cb -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3h3k h ARG 410 CO -0.08 1.06 0.28 0.00 -1.07 0.00 0.00 179.97 180.16 3h3k h ALA 411 N 0.89 0.81 -0.81 0.04 0.00 -0.98 -2.89 119.26 116.33 3h3k h ALA 411 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h3k h ALA 411 Cb 0.71 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3h3k h ALA 411 CO 0.05 0.40 0.53 1.98 0.00 0.00 0.00 179.25 182.21 3h3k h MET 412 N 0.87 1.05 -0.52 0.00 1.85 -0.48 -2.83 114.93 114.87 3h3k h MET 412 Ca 0.21 -0.06 0.05 0.00 -0.61 0.00 0.00 59.70 59.29 3h3k h MET 412 Cb 0.16 -0.24 -0.05 0.00 0.43 0.00 0.00 31.60 31.90 3h3k h MET 412 CO -0.02 0.69 0.24 0.00 -0.40 0.00 0.00 176.91 177.42 3h3k h ALA 413 N 1.31 0.66 -0.80 0.39 0.00 -0.90 0.10 119.26 120.02 3h3k h ALA 413 Ca 0.30 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3h3k h ALA 413 Cb -0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3h3k h ALA 413 CO -0.07 -0.12 0.48 0.74 0.00 0.00 0.00 179.25 180.28 3h3k h PHE 414 N 0.47 0.89 0.02 0.00 0.04 -1.40 -2.41 116.94 114.54 3h3k h PHE 414 Ca 0.23 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.80 3h3k h PHE 414 Cb 0.18 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3h3k h PHE 414 CO -0.12 0.44 -0.98 -0.07 -0.60 0.00 0.00 178.31 176.99 3h3k h LEU 415 N 0.88 0.53 -0.53 1.54 3.38 -1.27 -3.24 115.31 116.60 3h3k h LEU 415 Ca 0.35 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3h3k h LEU 415 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3h3k h LEU 415 CO -0.17 1.24 0.25 -0.07 0.09 0.00 0.00 178.44 179.78 3h3k h LEU 416 N 0.21 0.69 -1.71 1.67 3.38 -0.73 -3.04 115.31 115.78 3h3k h LEU 416 Ca -0.09 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.83 3h3k h LEU 416 Cb 1.62 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 3h3k h LEU 416 CO 0.17 0.62 0.33 0.00 0.09 0.00 0.00 178.44 179.65 3h3k h ALA 417 N 1.09 2.01 0.00 1.53 0.00 -1.47 -1.62 119.26 120.80 3h3k h ALA 417 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3h3k h ALA 417 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h3k h ALA 417 CO -0.02 -0.11 -0.07 0.93 0.00 0.00 0.00 179.25 179.98 3h3k h GLU 418 N 0.35 0.00 0.00 0.00 5.08 -1.40 -0.66 114.58 117.95 3h3k h GLU 418 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3h3k h GLU 418 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3h3k h GLU 418 CO -0.05 0.07 -0.08 0.41 -1.00 0.00 0.00 179.01 178.36 3h3k n GLY 419 N -0.83 -1.51 0.52 -3.84 0.00 -0.61 -3.87 105.19 95.06 3h3k n GLY 419 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3h3k n GLY 419 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h3k n VAL 420 N -1.67 1.94 -1.08 1.61 0.24 -0.45 -4.97 118.33 113.95 3h3k n VAL 420 Ca 0.06 -2.79 -0.03 0.00 -2.04 0.00 0.00 64.34 59.54 3h3k n VAL 420 Cb 0.36 -0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 3h3k n VAL 420 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h3k n GLY 421 N -1.08 0.61 3.12 7.63 0.00 -1.10 -4.99 105.19 109.38 3h3k n GLY 421 Ca 0.17 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 3h3k n GLY 421 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3k s VAL 422 N -2.06 3.59 -0.65 1.61 1.01 -0.38 -5.02 120.40 118.49 3h3k s VAL 422 Ca 0.00 -2.43 -0.10 0.00 0.00 0.00 0.00 61.98 59.45 3h3k s VAL 422 Cb 0.00 -3.39 0.17 0.00 0.00 0.00 0.00 36.38 33.16 3h3k s VAL 422 CO 0.00 -0.78 0.55 -0.76 0.00 0.00 0.00 175.10 174.10 3h3k s LEU 423 N 0.63 6.05 -0.05 3.92 1.02 -1.26 -2.84 118.68 126.14 3h3k s LEU 423 Ca 0.12 -2.42 -0.22 0.00 0.02 0.00 0.00 54.13 51.63 3h3k s LEU 423 Cb -0.22 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.88 3h3k s LEU 423 CO -0.04 -0.59 0.63 -2.28 0.02 0.00 0.00 176.35 174.09 3h3k s HIS 424 N 0.60 3.61 0.62 0.29 2.46 -1.26 -4.97 115.29 116.64 3h3k s HIS 424 Ca 0.13 1.18 0.34 0.00 0.47 0.00 0.00 55.06 57.18 3h3k s HIS 424 Cb -0.19 -2.69 1.96 0.00 -0.13 0.00 0.00 32.58 31.52 3h3k s HIS 424 CO -0.04 0.21 2.25 -1.00 -2.47 0.00 0.00 174.74 173.69 3h3k h PRO 425 N 6.29 0.00 -0.00 2.88 0.13 -2.00 -1.78 132.00 137.51 3h3k h PRO 425 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3h3k h PRO 425 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3h3k h PRO 425 CO 0.73 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.37 3h3k n ALA 426 N -2.24 2.79 -0.09 -0.56 0.00 -1.26 -4.55 120.51 114.60 3h3k n ALA 426 Ca -0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 3h3k n ALA 426 Cb 0.13 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 3h3k n ALA 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h3k h ALA 427 N 3.52 0.09 0.00 0.00 0.00 -1.67 -0.09 119.26 121.12 3h3k h ALA 427 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 3h3k h ALA 427 Cb 0.38 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3h3k h ALA 427 CO 0.00 -0.55 -1.01 0.45 0.00 0.00 0.00 179.25 178.15 3h3k h HIS 428 N -0.11 0.00 -0.14 0.00 3.86 -1.83 -2.34 115.15 114.59 3h3k h HIS 428 Ca 0.17 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3h3k h HIS 428 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3h3k h HIS 428 CO -0.37 0.98 0.08 1.15 0.86 0.00 0.00 177.93 180.63 3h3k h THR 429 N 0.00 1.09 -0.62 2.45 2.02 -1.75 -1.43 112.91 114.67 3h3k h THR 429 Ca -0.02 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 66.96 3h3k h THR 429 Cb 1.76 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 69.12 3h3k h THR 429 CO 0.13 0.08 0.36 0.58 0.37 0.00 0.00 175.52 177.03 3h3k h VAL 430 N 0.13 1.01 -0.37 3.16 2.07 -0.98 0.06 116.25 121.34 3h3k h VAL 430 Ca 0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3h3k h VAL 430 Cb 0.06 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3h3k h VAL 430 CO -0.01 0.12 0.24 0.00 0.02 0.00 0.00 177.57 177.95 3h3k h ALA 431 N 1.30 0.46 -0.48 1.67 0.00 -1.30 -0.24 119.26 120.67 3h3k h ALA 431 Ca 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3h3k h ALA 431 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h3k h ALA 431 CO -0.14 -0.07 0.19 0.37 0.00 0.00 0.00 179.25 179.60 3h3k h GLN 432 N 0.49 0.72 -0.58 0.00 5.75 -0.88 -2.13 115.11 118.48 3h3k h GLN 432 Ca 0.13 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3h3k h GLN 432 Cb -0.05 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3h3k h GLN 432 CO -0.03 0.65 0.14 0.00 -2.65 0.00 0.00 178.83 176.94 3h3k h ARG 433 N 0.63 0.90 -0.05 1.69 2.47 -0.78 0.34 114.38 119.58 3h3k h ARG 433 Ca 0.16 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3h3k h ARG 433 Cb 0.20 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3h3k h ARG 433 CO -0.01 0.80 0.03 0.00 0.56 0.00 0.00 179.97 181.35 3h3k h ALA 434 N 1.29 0.07 -0.44 0.04 0.00 -0.81 0.79 119.26 120.19 3h3k h ALA 434 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3h3k h ALA 434 Cb 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h3k h ALA 434 CO -0.00 -0.39 0.19 0.00 0.00 0.00 0.00 179.25 179.04 3h3k h ALA 435 N 0.95 0.58 -0.35 0.00 0.00 -1.18 0.18 119.26 119.43 3h3k h ALA 435 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3h3k h ALA 435 Cb 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 3h3k h ALA 435 CO -0.00 0.17 -0.14 -0.44 0.00 0.00 0.00 179.25 178.84 3h3k h ASP 436 N 0.57 -0.48 -0.47 0.00 3.32 -0.77 -0.57 116.42 118.03 3h3k h ASP 436 Ca 0.15 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.33 3h3k h ASP 436 Cb 0.17 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3h3k h ASP 436 CO -0.01 -0.17 0.30 0.22 -1.72 0.00 0.00 179.24 177.85 3h3k h TYR 437 N -0.07 0.56 -0.39 4.55 3.20 -0.55 0.10 116.97 124.36 3h3k h TYR 437 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3h3k h TYR 437 Cb 0.34 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3h3k h TYR 437 CO -0.36 0.34 0.20 1.25 -1.64 0.00 0.00 178.16 177.95 3h3k h LEU 438 N 0.60 0.47 -3.44 2.82 5.85 -0.49 -3.04 115.31 118.09 3h3k h LEU 438 Ca 0.18 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3h3k h LEU 438 Cb -0.04 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3h3k h LEU 438 CO -0.06 0.40 0.00 0.49 -0.34 0.00 0.00 178.44 178.93 3h3k n PHE 439 N -4.42 1.83 0.00 1.25 3.72 -0.27 0.01 117.46 119.58 3h3k n PHE 439 Ca 0.03 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.71 3h3k n PHE 439 Cb 0.11 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 3h3k n PHE 439 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h3k n GLY 440 N 0.63 1.36 3.03 1.37 0.00 -0.99 -0.82 105.19 109.77 3h3k n GLY 440 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 3h3k n GLY 440 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3k n ALA 441 N 0.00 4.87 -3.21 4.61 0.00 0.31 -3.94 120.51 123.15 3h3k n ALA 441 Ca 0.00 -3.96 -0.09 0.00 0.00 0.00 0.00 53.44 49.39 3h3k n ALA 441 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 19.45 15.95 3h3k n ALA 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h3k s ASN 442 N 3.13 -0.10 0.57 0.00 2.20 -1.26 -3.96 114.94 115.51 3h3k s ASN 442 Ca 0.48 -0.91 0.30 0.00 -0.94 0.00 0.00 52.86 51.79 3h3k s ASN 442 Cb 0.10 0.59 1.69 0.00 -2.00 0.00 0.00 41.25 41.63 3h3k s ASN 442 CO -0.02 -1.15 2.18 -0.65 -2.94 0.00 0.00 177.10 174.52 3h3k h PRO 443 N 2.24 0.00 -0.01 3.55 0.11 -1.88 -2.14 132.00 133.88 3h3k h PRO 443 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3h3k h PRO 443 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h3k h PRO 443 CO 0.35 0.05 -0.13 1.28 -0.21 0.00 0.00 178.00 179.34 3h3k n LEU 444 N -3.71 1.12 -2.48 2.35 4.77 -1.26 -4.93 117.00 112.86 3h3k n LEU 444 Ca -0.02 -0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 55.45 3h3k n LEU 444 Cb 0.15 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3h3k n LEU 444 CO 0.28 0.20 -0.21 0.61 -1.33 0.00 0.00 177.39 176.93 3h3k n GLY 445 N 1.26 -0.50 3.62 -0.72 0.00 -0.80 -4.94 105.19 103.10 3h3k n GLY 445 Ca 0.15 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3h3k n GLY 445 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h3k s GLN 446 N -5.11 4.00 -0.16 1.61 2.00 -1.25 -4.64 119.66 116.10 3h3k s GLN 446 Ca 0.03 -0.30 -0.29 0.00 -2.00 0.00 0.00 55.36 52.80 3h3k s GLN 446 Cb -0.01 -3.60 -0.01 0.00 0.80 0.00 0.00 33.01 30.19 3h3k s GLN 446 CO 0.04 -0.07 1.16 0.00 -0.50 0.00 0.00 175.29 175.92 3h3k n TYR 448 N 6.11 0.96 -5.03 0.00 4.01 0.10 -3.08 117.16 120.24 3h3k n TYR 448 Ca 0.12 -0.37 -0.32 0.00 -0.16 0.00 0.00 57.90 57.17 3h3k n TYR 448 Cb 0.46 -0.20 -0.15 0.00 -0.31 0.00 0.00 39.34 39.14 3h3k n TYR 448 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3h3k s VAL 449 N -1.78 2.60 0.25 -0.72 1.01 -1.26 -1.07 120.40 119.43 3h3k s VAL 449 Ca 0.31 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3h3k s VAL 449 Cb 0.21 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 3h3k s VAL 449 CO 0.14 0.56 1.36 0.42 0.00 0.00 0.00 175.10 177.58 3h3k s THR 450 N -0.18 2.87 0.00 3.92 -4.23 -0.55 -3.25 115.64 114.23 3h3k s THR 450 Ca -0.02 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 3h3k s THR 450 Cb -0.14 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.22 3h3k s THR 450 CO 0.03 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 3h3k n GLY 451 N 1.94 0.75 3.15 3.99 0.00 -1.26 -0.40 105.19 113.36 3h3k n GLY 451 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3h3k n GLY 451 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3k s PHE 452 N -2.47 0.81 0.10 1.61 0.08 -1.25 -4.93 117.98 111.93 3h3k s PHE 452 Ca 0.00 -0.96 0.00 0.00 0.12 0.00 0.00 56.93 56.09 3h3k s PHE 452 Cb 0.00 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 3h3k s PHE 452 CO 0.00 -0.21 0.00 0.41 -0.10 0.00 0.00 175.22 175.32 3h3k n GLY 453 N -0.01 -2.05 0.09 4.36 0.00 -1.26 -3.57 105.19 102.75 3h3k n GLY 453 Ca -0.12 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.59 3h3k n GLY 453 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h3k n GLN 454 N -1.89 0.62 -3.56 1.61 3.00 -1.26 -4.28 117.38 111.62 3h3k n GLN 454 Ca 0.00 0.08 -0.27 0.00 -0.01 0.00 0.00 57.00 56.81 3h3k n GLN 454 Cb 0.19 -1.75 -0.09 0.00 0.00 0.00 0.00 30.24 28.59 3h3k n GLN 454 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3h3k n ARG 455 N -2.66 1.93 -1.29 -1.09 0.63 -1.26 -5.09 116.66 107.83 3h3k n ARG 455 Ca -0.05 -4.35 -0.29 0.00 -0.92 0.00 0.00 57.85 52.25 3h3k n ARG 455 Cb 0.65 -2.11 0.15 0.00 0.45 0.00 0.00 32.46 31.60 3h3k n ARG 455 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3h3k s PRO 456 N -1.81 1.00 0.03 -0.14 0.04 -1.23 -1.49 135.00 131.40 3h3k s PRO 456 Ca 0.34 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 3h3k s PRO 456 Cb 0.08 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.77 3h3k s PRO 456 CO -0.09 -2.36 1.24 0.08 0.04 0.00 0.00 177.00 175.91 3h3k s VAL 457 N -3.03 3.98 -0.06 -0.36 1.01 -1.18 -4.86 120.40 115.90 3h3k s VAL 457 Ca 0.64 1.40 0.07 0.00 0.00 0.00 0.00 61.98 64.09 3h3k s VAL 457 Cb -0.17 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 3h3k s VAL 457 CO 0.56 0.07 0.07 0.54 0.00 0.00 0.00 175.10 176.35 3h3k n ARG 458 N 4.36 2.03 -3.12 2.72 5.12 -1.26 -4.21 116.66 122.30 3h3k n ARG 458 Ca 0.10 -0.02 -0.21 0.00 -1.93 0.00 0.00 57.85 55.78 3h3k n ARG 458 Cb 0.46 -1.20 -0.04 0.00 -1.16 0.00 0.00 32.46 30.52 3h3k n ARG 458 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3h3k n HIS 459 N -2.14 1.44 -2.13 -1.55 8.25 -1.26 -4.20 115.22 113.63 3h3k n HIS 459 Ca -0.09 -3.87 -0.35 0.00 -0.26 0.00 0.00 57.72 53.15 3h3k n HIS 459 Cb 0.60 -0.44 0.02 0.00 1.12 0.00 0.00 29.99 31.28 3h3k n HIS 459 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3h3k s PRO 460 N -2.66 3.18 -1.24 -0.41 0.04 -1.26 -1.90 135.00 130.75 3h3k s PRO 460 Ca 0.42 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 3h3k s PRO 460 Cb 0.31 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.87 3h3k s PRO 460 CO -0.10 -0.99 1.86 1.58 0.04 0.00 0.00 177.00 179.40 3h3k n HIS 461 N -1.54 3.71 -3.55 0.56 -0.00 0.86 -4.70 115.22 110.57 3h3k n HIS 461 Ca 0.12 -2.31 -0.16 0.00 0.46 0.00 0.00 57.72 55.83 3h3k n HIS 461 Cb 0.51 -2.56 -0.13 0.00 -0.12 0.00 0.00 29.99 27.68 3h3k n HIS 461 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 3h3k s HIS 462 N 6.54 -0.32 0.18 1.57 5.04 -1.26 -4.15 115.29 122.88 3h3k s HIS 462 Ca 0.59 0.48 -0.13 0.00 -1.54 0.00 0.00 55.06 54.45 3h3k s HIS 462 Cb 0.04 -0.25 0.12 0.00 0.04 0.00 0.00 32.58 32.53 3h3k s HIS 462 CO 0.09 -0.51 1.80 0.00 -2.34 0.00 0.00 174.74 173.78 3h3k h ARG 463 N 8.31 0.53 -0.55 2.88 3.08 -1.64 -0.11 114.38 126.88 3h3k h ARG 463 Ca -0.16 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 59.90 3h3k h ARG 463 Cb 1.14 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 3h3k h ARG 463 CO 0.23 0.35 0.36 -1.35 -1.07 0.00 0.00 179.97 178.49 3h3k h PRO 464 N 0.55 0.59 -0.07 0.04 0.11 -1.85 0.28 132.00 131.66 3h3k h PRO 464 Ca 0.22 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.14 3h3k h PRO 464 Cb 0.09 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.08 3h3k h PRO 464 CO -0.13 0.39 -0.55 0.77 -0.21 0.00 0.00 178.00 178.27 3h3k h SER 465 N 0.61 0.60 -0.59 -2.05 0.02 -1.65 -3.00 113.55 107.49 3h3k h SER 465 Ca 0.22 -0.68 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 3h3k h SER 465 Cb 0.14 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3h3k h SER 465 CO -0.06 1.19 0.13 0.58 -1.14 0.00 0.00 176.83 177.53 3h3k h VAL 466 N 0.05 1.25 -0.27 2.27 2.07 -0.85 -2.49 116.25 118.28 3h3k h VAL 466 Ca -0.05 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3h3k h VAL 466 Cb 1.22 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3h3k h VAL 466 CO 0.11 0.34 -0.02 0.00 0.02 0.00 0.00 177.57 178.03 3h3k h ALA 467 N 1.03 1.47 -1.37 1.67 0.00 -0.50 -3.39 119.26 118.17 3h3k h ALA 467 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h3k h ALA 467 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h3k h ALA 467 CO 0.00 0.38 0.00 -3.47 0.00 0.00 0.00 179.25 176.16 3h3k n ASP 468 N -4.31 0.00 -3.73 0.00 4.64 -1.13 -4.98 116.55 107.04 3h3k n ASP 468 Ca 0.01 0.10 -0.27 0.00 -1.38 0.00 0.00 54.79 53.25 3h3k n ASP 468 Cb 0.23 -0.27 -0.17 0.00 -1.04 0.00 0.00 41.12 39.87 3h3k n ASP 468 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3h3k s ASP 469 N -2.43 2.67 0.00 1.67 2.15 -0.95 -5.02 116.67 114.77 3h3k s ASP 469 Ca 0.00 -0.70 0.20 0.00 0.43 0.00 0.00 52.55 52.48 3h3k s ASP 469 Cb 0.00 -0.55 1.04 0.00 -0.30 0.00 0.00 42.92 43.11 3h3k s ASP 469 CO 0.00 -0.29 1.61 0.52 -0.17 0.00 0.00 175.17 176.84 3h3k n VAL 470 N 5.08 0.32 0.15 1.11 0.31 -1.25 -2.25 118.33 121.81 3h3k n VAL 470 Ca -0.09 0.08 0.06 0.00 -0.01 0.00 0.00 64.34 64.38 3h3k n VAL 470 Cb 0.48 -0.76 -0.09 0.00 -0.91 0.00 0.00 33.84 32.56 3h3k n VAL 470 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3h3k n ASP 471 N -1.23 1.77 -3.69 4.52 8.00 -1.26 -4.45 116.55 120.21 3h3k n ASP 471 Ca 0.10 -0.22 -0.29 0.00 0.71 0.00 0.00 54.79 55.10 3h3k n ASP 471 Cb 0.14 1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 42.51 3h3k n ASP 471 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3h3k s HIS 472 N -2.63 1.86 0.77 1.24 3.76 -0.95 -4.83 115.29 114.51 3h3k s HIS 472 Ca -0.02 -2.33 -0.09 0.00 -0.15 0.00 0.00 55.06 52.48 3h3k s HIS 472 Cb 0.08 -1.80 0.09 0.00 1.11 0.00 0.00 32.58 32.06 3h3k s HIS 472 CO 0.50 -0.79 1.10 -1.25 -0.85 0.00 0.00 174.74 173.44 3h3k s PRO 473 N 0.48 1.87 0.15 8.40 0.04 -1.26 -4.50 135.00 140.18 3h3k s PRO 473 Ca 0.17 -0.25 -0.34 0.00 0.04 0.00 0.00 61.00 60.62 3h3k s PRO 473 Cb -0.24 -2.08 -0.15 0.00 0.04 0.00 0.00 34.50 32.07 3h3k s PRO 473 CO -0.00 -1.52 1.47 0.28 0.04 0.00 0.00 177.00 177.27 3h3k n VAL 474 N -3.14 0.16 -1.72 -0.36 0.31 -1.26 -4.88 118.33 107.43 3h3k n VAL 474 Ca 0.10 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 64.08 3h3k n VAL 474 Cb 0.60 -1.30 0.05 0.00 -0.91 0.00 0.00 33.84 32.28 3h3k n VAL 474 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3h3k s PRO 475 N 0.57 2.95 -0.09 5.55 0.04 -1.26 -4.34 135.00 138.42 3h3k s PRO 475 Ca 0.79 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.56 3h3k s PRO 475 Cb -0.76 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3h3k s PRO 475 CO 0.42 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3h3k n GLY 476 N -2.45 0.49 3.64 0.56 0.00 0.46 -4.70 105.19 103.20 3h3k n GLY 476 Ca 0.07 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3h3k n GLY 476 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h3k s MET 477 N -1.15 4.09 -0.20 1.61 -1.94 -1.26 -3.99 119.30 116.47 3h3k s MET 477 Ca 0.00 0.06 -0.24 0.00 -1.71 0.00 0.00 55.69 53.80 3h3k s MET 477 Cb 0.00 -3.59 -0.01 0.00 2.01 0.00 0.00 34.83 33.24 3h3k s MET 477 CO 0.00 -0.13 0.79 0.08 -0.01 0.00 0.00 175.02 175.75 3h3k s VAL 478 N 1.60 4.90 0.56 -6.03 1.01 -1.26 -1.48 120.40 119.70 3h3k s VAL 478 Ca 0.15 1.51 -0.09 0.00 0.00 0.00 0.00 61.98 63.56 3h3k s VAL 478 Cb -0.15 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3h3k s VAL 478 CO 0.08 0.01 0.93 0.68 0.00 0.00 0.00 175.10 176.80 3h3k s VAL 479 N 2.35 4.77 0.26 2.92 -7.23 -0.24 -4.32 120.40 118.91 3h3k s VAL 479 Ca 0.35 0.58 -0.02 0.00 -1.81 0.00 0.00 61.98 61.08 3h3k s VAL 479 Cb -0.16 -3.86 0.23 0.00 0.56 0.00 0.00 36.38 33.16 3h3k s VAL 479 CO 0.10 -1.01 1.76 1.23 -0.31 0.00 0.00 175.10 176.86 3h3k h GLY 480 N -0.10 1.32 0.00 2.32 0.00 -1.33 -3.43 103.07 101.85 3h3k h GLY 480 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3h3k h GLY 480 CO 0.62 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.72 3h3k n GLY 481 N -1.32 -0.05 3.64 4.60 0.00 -0.77 -0.74 105.19 110.54 3h3k n GLY 481 Ca 0.16 -1.90 -0.46 0.00 0.00 0.00 0.00 46.02 43.81 3h3k n GLY 481 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h3k n PRO 482 N -0.14 1.72 -3.66 1.61 -0.04 -1.26 -4.45 135.00 128.78 3h3k n PRO 482 Ca 0.00 0.61 -0.29 0.00 -0.04 0.00 0.00 63.50 63.78 3h3k n PRO 482 Cb 0.00 -2.22 -0.15 0.00 -0.04 0.00 0.00 33.50 31.09 3h3k n PRO 482 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3h3k s ASN 483 N 0.23 3.69 0.11 3.54 2.47 -0.26 -3.80 114.94 120.93 3h3k s ASN 483 Ca 0.71 -1.40 0.12 0.00 0.42 0.00 0.00 52.86 52.72 3h3k s ASN 483 Cb -0.73 -0.64 0.58 0.00 -1.45 0.00 0.00 41.25 39.01 3h3k s ASN 483 CO 0.50 -0.41 1.38 -2.11 -3.72 0.00 0.00 177.10 172.74 3h3k n ARG 484 N 5.02 0.06 0.00 0.43 1.85 0.08 -2.18 116.66 121.92 3h3k n ARG 484 Ca -0.04 0.45 0.14 0.00 -1.00 0.00 0.00 57.85 57.40 3h3k n ARG 484 Cb 0.43 -1.66 0.61 0.00 -1.05 0.00 0.00 32.46 30.79 3h3k n ARG 484 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3h3k n HIS 485 N -1.79 0.00 -3.69 2.89 8.25 -1.26 -4.97 115.22 114.65 3h3k n HIS 485 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 3h3k n HIS 485 Cb 0.09 -0.13 0.03 0.00 1.12 0.00 0.00 29.99 31.11 3h3k n HIS 485 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h3k n LEU 486 N -0.76 -2.98 -1.84 2.41 4.77 -0.93 -4.86 117.00 112.82 3h3k n LEU 486 Ca 0.16 -0.97 -0.15 0.00 -0.03 0.00 0.00 56.01 55.02 3h3k n LEU 486 Cb 0.28 -2.46 0.14 0.00 -2.33 0.00 0.00 43.42 39.05 3h3k n LEU 486 CO 0.22 0.43 1.03 0.00 -1.33 0.00 0.00 177.39 177.74 3h3k n GLN 487 N -4.16 2.06 -3.95 3.23 6.02 -1.26 -4.26 117.38 115.05 3h3k n GLN 487 Ca -0.15 -2.14 -0.10 0.00 -0.01 0.00 0.00 57.00 54.60 3h3k n GLN 487 Cb 0.62 -1.86 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 3h3k n GLN 487 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3h3k s ASP 488 N -0.62 -0.01 0.27 1.08 -4.77 -1.26 -4.72 116.67 106.64 3h3k s ASP 488 Ca 0.40 -0.86 -0.03 0.00 -3.30 0.00 0.00 52.55 48.76 3h3k s ASP 488 Cb 0.34 0.47 0.36 0.00 -1.09 0.00 0.00 42.92 43.00 3h3k s ASP 488 CO 0.08 -0.95 1.90 1.05 0.70 0.00 0.00 175.17 177.96 3h3k h GLU 489 N 2.46 1.09 -0.40 2.11 4.11 -1.88 -1.78 114.58 120.30 3h3k h GLU 489 Ca -0.31 -0.12 -0.13 0.00 0.07 0.00 0.00 59.36 58.88 3h3k h GLU 489 Cb 1.24 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3h3k h GLU 489 CO 0.45 0.79 -0.27 0.82 0.07 0.00 0.00 179.01 180.88 3h3k h ILE 490 N 1.10 1.28 -0.19 -1.06 1.08 -1.96 -1.62 117.51 116.14 3h3k h ILE 490 Ca 0.28 -1.43 -0.03 0.00 -0.39 0.00 0.00 64.86 63.29 3h3k h ILE 490 Cb 0.01 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3h3k h ILE 490 CO -0.05 0.48 -0.01 0.00 -0.69 0.00 0.00 178.15 177.88 3h3k h ALA 491 N 0.79 0.26 -0.69 1.87 0.00 -1.85 -0.94 119.26 118.71 3h3k h ALA 491 Ca 0.08 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3h3k h ALA 491 Cb 0.85 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3h3k h ALA 491 CO 0.07 -0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.70 3h3k h ARG 492 N 0.10 0.70 -0.16 0.00 3.08 -1.27 0.18 114.38 117.00 3h3k h ARG 492 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3h3k h ARG 492 Cb 0.41 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3h3k h ARG 492 CO 0.01 0.46 0.05 0.00 -1.07 0.00 0.00 179.97 179.42 3h3k h ALA 493 N 1.35 0.21 0.00 0.04 0.00 -1.20 -3.35 119.26 116.31 3h3k h ALA 493 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h3k h ALA 493 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h3k h ALA 493 CO -0.18 -0.17 -1.87 1.04 0.00 0.00 0.00 179.25 178.07 3h3k n GLN 494 N -4.83 0.61 -0.00 0.00 1.13 -0.37 -4.64 117.38 109.28 3h3k n GLN 494 Ca -0.05 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.84 3h3k n GLN 494 Cb 0.15 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3h3k n GLN 494 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h3k n LEU 495 N -2.17 1.38 -4.76 1.08 4.77 0.59 -5.02 117.00 112.88 3h3k n LEU 495 Ca -0.03 -1.38 -0.41 0.00 -0.03 0.00 0.00 56.01 54.15 3h3k n LEU 495 Cb 0.52 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3h3k n LEU 495 CO 0.43 0.35 1.20 0.00 -1.33 0.00 0.00 177.39 178.04 3h3k n ALA 496 N -0.19 2.53 -0.40 -1.18 0.00 -1.25 -2.27 120.51 117.75 3h3k n ALA 496 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3h3k n ALA 496 Cb 0.10 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.09 3h3k n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3k n GLY 497 N 1.34 1.81 3.80 0.00 0.00 -1.26 -5.04 105.19 105.85 3h3k n GLY 497 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3h3k n GLY 497 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3k s ARG 498 N -0.14 4.39 0.93 1.61 3.00 -0.96 -5.04 118.95 122.74 3h3k s ARG 498 Ca 0.00 1.15 -0.10 0.00 0.00 0.00 0.00 55.73 56.78 3h3k s ARG 498 Cb 0.00 -2.61 0.14 0.00 0.00 0.00 0.00 34.95 32.48 3h3k s ARG 498 CO 0.00 0.20 1.05 -0.35 0.00 0.00 0.00 175.30 176.20 3h3k n PRO 499 N 0.17 -0.52 -0.13 3.54 -0.04 -1.26 -4.76 135.00 132.00 3h3k n PRO 499 Ca 0.03 -0.09 -0.04 0.00 -0.04 0.00 0.00 63.50 63.36 3h3k n PRO 499 Cb 0.52 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.69 3h3k n PRO 499 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3k h ALA 500 N -1.90 0.25 0.00 0.55 0.00 -1.96 -0.92 119.26 115.29 3h3k h ALA 500 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3h3k h ALA 500 Cb 1.27 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3h3k h ALA 500 CO 0.40 -0.47 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 3h3k n MET 501 N -5.34 0.18 -0.13 0.00 2.81 -1.26 -1.60 117.12 111.78 3h3k n MET 501 Ca 0.03 0.44 0.12 0.00 -1.81 0.00 0.00 57.70 56.48 3h3k n MET 501 Cb 0.25 -1.86 0.18 0.00 -0.71 0.00 0.00 33.22 31.08 3h3k n MET 501 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3h3k n GLU 502 N -2.20 2.46 -1.13 0.03 1.02 -0.37 -4.63 120.64 115.83 3h3k n GLU 502 Ca 0.02 -2.18 -0.19 0.00 -0.02 0.00 0.00 57.16 54.79 3h3k n GLU 502 Cb 0.21 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 3h3k n GLU 502 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h3k n ALA 503 N 1.45 6.60 -2.66 0.62 0.00 -0.63 -4.80 120.51 121.11 3h3k n ALA 503 Ca 0.18 -2.29 -0.19 0.00 0.00 0.00 0.00 53.44 51.13 3h3k n ALA 503 Cb 0.61 -2.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.43 3h3k n ALA 503 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3h3k s TYR 504 N 0.87 1.04 -0.02 0.00 5.04 -1.26 -1.10 117.35 121.92 3h3k s TYR 504 Ca 0.66 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 3h3k s TYR 504 Cb 0.30 -0.64 0.02 0.00 0.35 0.00 0.00 41.96 41.99 3h3k s TYR 504 CO -0.03 -0.00 0.00 -1.50 -1.34 0.00 0.00 175.55 172.68 3h3k s ILE 505 N -0.58 0.13 -1.28 3.14 2.07 -1.26 -5.03 121.20 118.39 3h3k s ILE 505 Ca 0.02 0.08 -0.18 0.00 -1.41 0.00 0.00 60.65 59.16 3h3k s ILE 505 Cb -0.06 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.33 3h3k s ILE 505 CO 0.00 0.12 1.89 -0.67 -1.91 0.00 0.00 174.94 174.37 3h3k n ASP 506 N 3.99 4.28 -3.97 4.50 2.03 -1.26 -4.60 116.55 121.51 3h3k n ASP 506 Ca -0.25 -2.85 -0.17 0.00 0.52 0.00 0.00 54.79 52.03 3h3k n ASP 506 Cb 0.51 -1.69 -0.15 0.00 -0.72 0.00 0.00 41.12 39.08 3h3k n ASP 506 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3h3k s HIS 507 N 5.11 0.64 0.54 -0.67 2.46 -1.25 -4.65 115.29 117.47 3h3k s HIS 507 Ca 0.55 -0.13 0.42 0.00 0.47 0.00 0.00 55.06 56.37 3h3k s HIS 507 Cb 0.06 -0.44 2.18 0.00 -0.13 0.00 0.00 32.58 34.25 3h3k s HIS 507 CO 0.06 -0.04 2.29 -0.56 -2.47 0.00 0.00 174.74 174.01 3h3k h GLN 508 N 6.17 0.00 0.00 2.88 3.07 -1.66 -1.96 115.11 123.61 3h3k h GLN 508 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.43 3h3k h GLN 508 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 3h3k h GLN 508 CO 0.50 0.00 -1.01 -0.25 0.09 0.00 0.00 178.83 178.16 3h3k n ASP 509 N -3.12 0.63 -4.58 0.06 8.00 -1.26 -4.03 116.55 112.25 3h3k n ASP 509 Ca -0.02 -0.30 -0.41 0.00 0.71 0.00 0.00 54.79 54.77 3h3k n ASP 509 Cb 0.12 0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 42.03 3h3k n ASP 509 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3h3k s SER 510 N -3.75 6.56 0.46 -2.24 0.15 -0.74 -4.75 113.70 109.39 3h3k s SER 510 Ca 0.04 -2.17 0.28 0.00 0.70 0.00 0.00 55.95 54.80 3h3k s SER 510 Cb 0.15 -2.58 0.86 0.00 -1.71 0.00 0.00 66.02 62.74 3h3k s SER 510 CO 0.80 -1.46 1.79 0.10 1.20 0.00 0.00 173.24 175.68 3h3k h TYR 511 N 8.23 0.00 -0.00 3.44 -0.00 -1.84 0.22 116.97 127.01 3h3k h TYR 511 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.11 3h3k h TYR 511 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.63 3h3k h TYR 511 CO 1.38 0.00 -0.40 -1.13 -0.00 0.00 0.00 178.16 178.01 3h3k n SER 512 N -2.99 0.52 0.00 0.10 3.41 -1.26 -3.67 113.62 109.72 3h3k n SER 512 Ca 0.02 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3h3k n SER 512 Cb 0.41 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3h3k n SER 512 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h3k n THR 513 N -1.36 0.00 -1.79 6.66 -2.24 -1.20 -4.55 114.28 109.79 3h3k n THR 513 Ca 0.07 -0.06 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 3h3k n THR 513 Cb 0.33 0.44 0.08 0.00 -2.10 0.00 0.00 70.33 69.08 3h3k n THR 513 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3h3k n ASN 514 N -0.86 1.13 -4.82 3.42 5.15 0.75 -1.84 115.26 118.18 3h3k n ASN 514 Ca 0.00 -2.61 -0.25 0.00 -0.60 0.00 0.00 54.58 51.12 3h3k n ASN 514 Cb 0.00 -0.34 0.08 0.00 -0.53 0.00 0.00 39.78 38.99 3h3k n ASN 514 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3h3k s GLU 515 N -1.30 2.02 0.33 1.20 2.12 -1.24 -0.09 118.70 121.73 3h3k s GLU 515 Ca 0.22 -0.46 0.06 0.00 0.36 0.00 0.00 54.97 55.16 3h3k s GLU 515 Cb 0.22 -2.20 -0.07 0.00 0.26 0.00 0.00 34.13 32.34 3h3k s GLU 515 CO -0.04 -1.31 -0.02 0.14 -0.54 0.00 0.00 175.26 173.48 3h3k s VAL 516 N -3.23 1.71 -0.26 3.70 -7.23 -1.26 -1.36 120.40 112.48 3h3k s VAL 516 Ca 0.62 -2.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.45 3h3k s VAL 516 Cb -0.09 -2.69 0.11 0.00 0.56 0.00 0.00 36.38 34.26 3h3k s VAL 516 CO 0.45 -0.14 0.93 0.00 -0.31 0.00 0.00 175.10 176.02 3h3k s ALA 517 N -2.95 -1.91 0.43 1.32 0.00 -1.26 -3.43 121.76 113.97 3h3k s ALA 517 Ca 0.33 1.87 0.13 0.00 0.00 0.00 0.00 51.96 54.28 3h3k s ALA 517 Cb 0.06 -1.24 1.01 0.00 0.00 0.00 0.00 23.12 22.95 3h3k s ALA 517 CO 0.15 -0.28 2.00 -0.39 0.00 0.00 0.00 175.76 177.25 3h3k h VAL 518 N 3.60 0.95 -0.20 0.00 -1.51 -1.44 -1.23 116.25 116.42 3h3k h VAL 518 Ca -0.28 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 3h3k h VAL 518 Cb 1.17 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3h3k h VAL 518 CO 0.12 0.08 0.00 0.00 -1.23 0.00 0.00 177.57 176.54 3h3k n TYR 519 N -4.47 0.26 -0.08 5.19 0.18 -1.26 -2.14 117.16 114.84 3h3k n TYR 519 Ca 0.08 -0.13 -0.08 0.00 1.88 0.00 0.00 57.90 59.64 3h3k n TYR 519 Cb 0.29 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.12 3h3k n TYR 519 CO 0.00 0.00 0.00 0.91 -2.08 0.00 0.00 176.86 175.69 3h3k n TRP 520 N 0.18 0.00 0.12 -3.48 8.01 -0.53 -4.45 117.44 117.29 3h3k n TRP 520 Ca 0.12 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.29 3h3k n TRP 520 Cb 0.25 -0.81 0.16 0.00 -2.01 0.00 0.00 31.31 28.89 3h3k n TRP 520 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3h3k h ASN 521 N 0.00 0.12 -0.21 -0.99 -0.26 -1.34 -3.31 115.58 109.59 3h3k h ASN 521 Ca -0.45 -0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 55.15 3h3k h ASN 521 Cb 2.01 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 39.24 3h3k h ASN 521 CO 0.02 0.69 -0.18 0.77 -1.06 0.00 0.00 177.43 177.67 3h3k h SER 522 N 0.08 0.53 0.31 5.81 4.64 -1.65 0.23 113.55 123.49 3h3k h SER 522 Ca -0.01 -0.46 -0.07 0.00 -0.47 0.00 0.00 61.79 60.79 3h3k h SER 522 Cb 1.08 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3h3k h SER 522 CO 0.08 0.87 -0.31 1.55 -0.87 0.00 0.00 176.83 178.16 3h3k h PRO 523 N 0.18 0.01 -0.54 4.77 0.13 -1.79 -2.54 132.00 132.22 3h3k h PRO 523 Ca 0.04 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.08 3h3k h PRO 523 Cb 0.71 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 3h3k h PRO 523 CO 0.05 0.32 -0.01 0.00 -0.23 0.00 0.00 178.00 178.13 3h3k h ALA 524 N 1.68 0.98 -0.42 -0.56 0.00 -1.53 -1.43 119.26 117.99 3h3k h ALA 524 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h3k h ALA 524 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3h3k h ALA 524 CO 0.04 0.62 0.26 0.28 0.00 0.00 0.00 179.25 180.45 3h3k h VAL 525 N 0.85 1.13 0.27 0.00 2.07 -0.71 -1.15 116.25 118.71 3h3k h VAL 525 Ca 0.16 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3h3k h VAL 525 Cb 0.51 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3h3k h VAL 525 CO 0.03 0.13 -0.14 0.15 0.02 0.00 0.00 177.57 177.76 3h3k h PHE 526 N 0.55 -0.35 -0.33 1.57 3.57 -1.24 -0.58 116.94 120.13 3h3k h PHE 526 Ca 0.15 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3h3k h PHE 526 Cb -0.01 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3h3k h PHE 526 CO -0.04 -0.22 0.02 0.28 -2.23 0.00 0.00 178.31 176.13 3h3k h VAL 527 N -0.38 1.25 -0.51 1.41 2.07 -1.22 -1.26 116.25 117.62 3h3k h VAL 527 Ca -0.04 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 3h3k h VAL 527 Cb 0.29 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3h3k h VAL 527 CO 0.06 0.30 -0.08 0.40 0.02 0.00 0.00 177.57 178.26 3h3k h ILE 528 N 0.37 1.26 -0.92 4.57 1.08 -1.23 -2.13 117.51 120.52 3h3k h ILE 528 Ca 0.10 -1.19 0.04 0.00 -0.39 0.00 0.00 64.86 63.41 3h3k h ILE 528 Cb 0.40 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 3h3k h ILE 528 CO 0.01 0.42 0.59 0.00 -0.69 0.00 0.00 178.15 178.48 3h3k h ALA 529 N 1.06 1.21 -0.28 1.87 0.00 -0.94 -0.97 119.26 121.21 3h3k h ALA 529 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3h3k h ALA 529 Cb 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3h3k h ALA 529 CO 0.04 0.45 0.13 0.00 0.00 0.00 0.00 179.25 179.87 3h3k h ALA 530 N 1.38 0.34 -0.53 0.00 0.00 -0.71 -1.29 119.26 118.46 3h3k h ALA 530 Ca 0.37 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 3h3k h ALA 530 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h3k h ALA 530 CO -0.12 -0.26 -0.01 -0.07 0.00 0.00 0.00 179.25 178.79 3h3k h LEU 531 N 0.28 0.93 -1.32 0.00 3.38 -1.10 -2.73 115.31 114.76 3h3k h LEU 531 Ca 0.12 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3h3k h LEU 531 Cb 0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3h3k h LEU 531 CO -0.09 1.01 0.48 -0.07 0.09 0.00 0.00 178.44 179.86 3h3k h LEU 532 N 0.82 0.78 -7.01 1.67 4.07 -0.97 -3.24 115.31 111.42 3h3k h LEU 532 Ca 0.15 -0.01 -0.54 0.00 0.08 0.00 0.00 57.88 57.56 3h3k h LEU 532 Cb 0.54 -0.18 0.03 0.00 1.08 0.00 0.00 40.66 42.13 3h3k h LEU 532 CO 0.03 0.54 1.79 1.21 -1.08 0.00 0.00 178.44 180.93 3h3k n GLU 533 N -4.45 1.36 0.00 1.13 4.07 -0.50 -4.93 120.64 117.31 3h3k n GLU 533 Ca 0.09 -1.95 0.14 0.00 -0.06 0.00 0.00 57.16 55.38 3h3k n GLU 533 Cb 0.10 -3.15 0.50 0.00 -0.06 0.00 0.00 31.44 28.83 3h3k n GLU 533 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07