#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a39 n PRO 3 N 0.00 1.99 -0.60 1.64 -0.02 -1.26 0.34 135.00 137.10 1a39 n PRO 3 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1a39 n PRO 3 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1a39 n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a39 n GLY 4 N 0.84 1.72 0.22 -1.23 0.00 -0.23 -4.74 105.19 101.77 1a39 n GLY 4 Ca 0.06 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.11 1a39 n GLY 4 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a39 h GLU 5 N 0.00 0.00 -6.47 1.61 5.08 -1.94 -3.43 114.58 109.42 1a39 h GLU 5 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1a39 h GLU 5 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a39 h GLU 5 CO 0.00 0.16 0.57 0.99 -1.00 0.00 0.00 179.01 179.73 1a39 s THR 6 N -3.38 4.03 0.47 1.13 2.01 -1.26 -4.97 115.64 113.66 1a39 s THR 6 Ca 0.03 1.45 -0.17 0.00 0.31 0.00 0.00 61.69 63.32 1a39 s THR 6 Cb 0.08 -3.93 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1a39 s THR 6 CO 0.65 0.11 0.93 -1.59 -0.69 0.00 0.00 174.62 174.03 1a39 s LYS 7 N 1.13 4.01 -0.21 4.92 -2.85 -1.26 -2.04 119.74 123.43 1a39 s LYS 7 Ca 0.59 0.92 -0.19 0.00 -1.00 0.00 0.00 55.97 56.29 1a39 s LYS 7 Cb -0.29 -2.20 -0.03 0.00 -2.06 0.00 0.00 37.83 33.25 1a39 s LYS 7 CO 0.29 -0.15 0.53 -2.00 0.10 0.00 0.00 175.35 174.12 1a39 s GLU 8 N -3.74 4.16 -0.26 1.78 2.56 -1.26 -1.73 118.70 120.22 1a39 s GLU 8 Ca 0.58 0.42 0.01 0.00 0.00 0.00 0.00 54.97 55.99 1a39 s GLU 8 Cb -0.10 -3.58 0.05 0.00 2.00 0.00 0.00 34.13 32.50 1a39 s GLU 8 CO 0.26 -0.21 -0.09 0.08 -0.56 0.00 0.00 175.26 174.74 1a39 s VAL 9 N 1.83 2.39 -0.17 3.70 1.01 -0.50 -4.89 120.40 123.77 1a39 s VAL 9 Ca 0.24 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.52 1a39 s VAL 9 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1a39 s VAL 9 CO 0.09 0.02 0.67 -1.00 0.00 0.00 0.00 175.10 174.88 1a39 s HIS 10 N 1.17 3.42 0.40 5.22 3.76 -1.26 -4.56 115.29 123.43 1a39 s HIS 10 Ca -0.06 1.04 -0.27 0.00 -0.15 0.00 0.00 55.06 55.61 1a39 s HIS 10 Cb -0.19 -2.83 -0.10 0.00 1.11 0.00 0.00 32.58 30.58 1a39 s HIS 10 CO -0.05 -0.13 1.39 -2.14 -0.85 0.00 0.00 174.74 172.97 1a39 s PRO 11 N 1.70 4.01 0.15 8.40 0.02 -1.25 -4.77 135.00 143.25 1a39 s PRO 11 Ca 0.32 2.35 -0.13 0.00 0.02 0.00 0.00 61.00 63.56 1a39 s PRO 11 Cb -0.16 -2.85 -0.07 0.00 0.02 0.00 0.00 34.50 31.44 1a39 s PRO 11 CO 0.12 -0.53 0.53 -1.14 -0.33 0.00 0.00 177.00 175.65 1a39 s GLN 12 N -2.17 3.94 -0.04 5.54 0.74 -1.26 -1.00 119.66 125.41 1a39 s GLN 12 Ca 0.55 0.44 -0.00 0.00 0.05 0.00 0.00 55.36 56.40 1a39 s GLN 12 Cb -0.42 -2.91 0.03 0.00 1.10 0.00 0.00 33.01 30.80 1a39 s GLN 12 CO 0.56 0.47 0.01 -1.17 -0.55 0.00 0.00 175.29 174.60 1a39 s LEU 13 N -2.04 0.99 -0.07 3.68 2.96 0.30 -4.67 118.68 119.83 1a39 s LEU 13 Ca 0.38 -0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 54.05 1a39 s LEU 13 Cb -0.14 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1a39 s LEU 13 CO 0.19 -0.13 0.61 -0.89 -1.32 0.00 0.00 176.35 174.82 1a39 s THR 14 N 1.26 5.07 0.40 3.68 2.01 0.00 -1.31 115.64 126.77 1a39 s THR 14 Ca -0.06 1.26 0.02 0.00 0.31 0.00 0.00 61.69 63.22 1a39 s THR 14 Cb -0.13 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1a39 s THR 14 CO -0.02 0.30 0.09 0.35 -0.69 0.00 0.00 174.62 174.64 1a39 n THR 15 N 3.59 0.00 -3.97 -0.82 -2.24 0.29 -4.31 114.28 106.82 1a39 n THR 15 Ca -0.04 -2.17 -0.09 0.00 -2.27 0.00 0.00 64.05 59.48 1a39 n THR 15 Cb 0.51 0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 69.30 1a39 n THR 15 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1a39 s PHE 16 N -2.85 0.26 -0.15 4.78 0.40 -0.01 -0.51 117.98 119.90 1a39 s PHE 16 Ca 0.12 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1a39 s PHE 16 Cb 0.01 -0.19 0.02 0.00 0.51 0.00 0.00 43.02 43.37 1a39 s PHE 16 CO 0.09 -0.24 -0.16 1.03 0.70 0.00 0.00 175.22 176.64 1a39 s ARG 17 N -1.81 2.54 0.01 0.44 1.81 -0.70 -2.22 118.95 119.03 1a39 s ARG 17 Ca -0.13 -0.66 0.08 0.00 -1.72 0.00 0.00 55.73 53.31 1a39 s ARG 17 Cb -0.07 -2.25 -0.02 0.00 -0.45 0.00 0.00 34.95 32.16 1a39 s ARG 17 CO -0.02 -0.20 -0.26 0.00 -0.68 0.00 0.00 175.30 174.14 1a39 s THR 19 N -0.69 0.77 0.04 0.00 -4.23 -0.17 -1.64 115.64 109.72 1a39 s THR 19 Ca 0.11 -1.79 -0.21 0.00 -1.18 0.00 0.00 61.69 58.62 1a39 s THR 19 Cb -0.10 -1.51 -0.14 0.00 1.34 0.00 0.00 72.50 72.08 1a39 s THR 19 CO 0.00 -0.74 1.37 0.11 -0.54 0.00 0.00 174.62 174.82 1a39 h LYS 20 N 3.24 0.30 0.00 3.99 1.57 -1.89 0.12 116.57 123.90 1a39 h LYS 20 Ca -0.36 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1a39 h LYS 20 Cb 1.18 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1a39 h LYS 20 CO 0.60 0.66 0.00 0.07 -0.57 0.00 0.00 179.45 180.20 1a39 h ARG 21 N -0.06 0.00 0.00 3.15 0.11 -2.00 -3.28 114.38 112.30 1a39 h ARG 21 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1a39 h ARG 21 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1a39 h ARG 21 CO 0.02 0.00 -0.63 0.41 0.10 0.00 0.00 179.97 179.88 1a39 n GLY 22 N -0.07 0.35 5.49 0.08 0.00 -1.17 -5.14 105.19 104.74 1a39 n GLY 22 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1a39 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a39 n GLY 23 N 1.91 -1.38 3.38 -0.02 0.00 0.39 -4.75 105.19 104.72 1a39 n GLY 23 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1a39 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a39 s LYS 25 N 1.57 3.50 0.47 0.00 1.02 -0.66 -4.88 119.74 120.76 1a39 s LYS 25 Ca 0.03 -0.16 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 1a39 s LYS 25 Cb -0.20 -3.19 -0.07 0.00 -0.52 0.00 0.00 37.83 33.85 1a39 s LYS 25 CO 0.07 0.71 1.15 -1.25 -0.92 0.00 0.00 175.35 175.11 1a39 s PRO 26 N -0.84 3.72 0.00 -1.68 0.04 -1.26 -1.72 135.00 133.27 1a39 s PRO 26 Ca 0.14 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1a39 s PRO 26 Cb -0.12 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1a39 s PRO 26 CO 0.03 -0.57 0.02 0.00 0.04 0.00 0.00 177.00 176.52 1a39 s ALA 27 N -1.59 -0.02 -0.08 8.56 0.00 0.34 -4.88 121.76 124.09 1a39 s ALA 27 Ca 0.65 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 1a39 s ALA 27 Cb -0.27 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1a39 s ALA 27 CO 0.33 -0.11 0.45 0.99 0.00 0.00 0.00 175.76 177.41 1a39 s THR 28 N -0.88 5.13 0.18 0.00 2.01 -1.26 -0.55 115.64 120.27 1a39 s THR 28 Ca -0.10 0.90 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 1a39 s THR 28 Cb -0.06 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1a39 s THR 28 CO -0.00 0.41 0.13 0.20 -0.69 0.00 0.00 174.62 174.68 1a39 s ASN 29 N 0.04 0.18 0.12 3.53 -0.87 -0.43 -3.85 114.94 113.67 1a39 s ASN 29 Ca 0.25 -1.28 0.03 0.00 -1.57 0.00 0.00 52.86 50.29 1a39 s ASN 29 Cb -0.16 0.37 -0.04 0.00 -0.02 0.00 0.00 41.25 41.40 1a39 s ASN 29 CO 0.11 -0.83 -0.09 -0.36 -2.57 0.00 0.00 177.10 173.37 1a39 s PHE 30 N -4.11 1.10 -0.10 2.20 0.40 -0.80 -0.54 117.98 116.14 1a39 s PHE 30 Ca 0.32 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1a39 s PHE 30 Cb 0.07 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 42.98 1a39 s PHE 30 CO 0.08 -0.02 -0.08 0.42 0.70 0.00 0.00 175.22 176.32 1a39 s ILE 31 N -3.38 3.53 -0.01 0.64 -1.09 -0.17 0.14 121.20 120.85 1a39 s ILE 31 Ca 0.14 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 58.07 1a39 s ILE 31 Cb 0.03 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.44 1a39 s ILE 31 CO -0.02 0.56 -0.12 0.54 -1.23 0.00 0.00 174.94 174.68 1a39 s VAL 32 N -0.33 0.91 0.40 2.92 0.11 -0.56 -3.92 120.40 119.94 1a39 s VAL 32 Ca 0.04 -0.49 -0.19 0.00 -2.93 0.00 0.00 61.98 58.41 1a39 s VAL 32 Cb -0.13 -0.77 -0.10 0.00 -1.53 0.00 0.00 36.38 33.85 1a39 s VAL 32 CO 0.02 0.26 0.90 -0.76 -3.33 0.00 0.00 175.10 172.19 1a39 s LEU 33 N -0.24 3.97 0.42 2.54 1.43 -1.26 -0.38 118.68 125.16 1a39 s LEU 33 Ca 0.04 1.59 -0.25 0.00 -1.03 0.00 0.00 54.13 54.48 1a39 s LEU 33 Cb -0.05 -4.42 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 1a39 s LEU 33 CO -0.00 -0.32 1.20 -0.67 0.23 0.00 0.00 176.35 176.79 1a39 n ASP 34 N -0.57 2.19 -0.26 2.29 2.03 -0.66 -3.81 116.55 117.75 1a39 n ASP 34 Ca 0.06 1.08 0.07 0.00 0.52 0.00 0.00 54.79 56.52 1a39 n ASP 34 Cb 0.54 -1.46 0.20 0.00 -0.72 0.00 0.00 41.12 39.68 1a39 n ASP 34 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1a39 h SER 35 N 1.90 0.23 0.05 1.67 4.64 -1.01 0.47 113.55 121.50 1a39 h SER 35 Ca -0.47 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1a39 h SER 35 Cb 1.31 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1a39 h SER 35 CO 0.59 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.78 1a39 n LEU 36 N -5.04 0.00 0.06 5.97 4.77 -1.26 -1.39 117.00 120.10 1a39 n LEU 36 Ca 0.16 0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1a39 n LEU 36 Cb 0.46 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.61 1a39 n LEU 36 CO 0.16 -0.01 0.17 0.79 -1.33 0.00 0.00 177.39 177.17 1a39 n TRP 37 N -1.03 0.52 -2.43 -1.77 8.01 0.15 -4.89 117.44 116.00 1a39 n TRP 37 Ca 0.16 0.15 -0.34 0.00 -1.31 0.00 0.00 57.50 56.17 1a39 n TRP 37 Cb 0.09 -0.63 -0.03 0.00 -2.01 0.00 0.00 31.31 28.73 1a39 n TRP 37 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 1a39 s HIS 38 N -3.21 3.04 -0.15 -5.99 3.76 -0.48 -4.97 115.29 107.28 1a39 s HIS 38 Ca 0.04 1.56 -0.29 0.00 -0.15 0.00 0.00 55.06 56.22 1a39 s HIS 38 Cb 0.13 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 1a39 s HIS 38 CO 0.76 -0.83 1.69 -0.46 -0.85 0.00 0.00 174.74 175.05 1a39 s TRP 39 N -2.15 1.96 -0.20 1.40 -0.00 -1.26 -4.90 118.94 113.78 1a39 s TRP 39 Ca 0.66 0.38 -0.03 0.00 -0.00 0.00 0.00 56.10 57.10 1a39 s TRP 39 Cb -0.15 -3.96 -0.01 0.00 -0.00 0.00 0.00 33.47 29.34 1a39 s TRP 39 CO 0.24 -3.46 -0.06 0.42 -0.00 0.00 0.00 176.95 174.10 1a39 s ILE 40 N 4.98 3.35 0.22 5.86 1.01 -1.26 -1.43 121.20 133.93 1a39 s ILE 40 Ca 0.75 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.93 1a39 s ILE 40 Cb -0.29 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 1a39 s ILE 40 CO 0.30 0.44 -0.03 -1.38 0.00 0.00 0.00 174.94 174.28 1a39 s HIS 41 N 1.24 1.56 0.59 3.97 -3.43 -0.30 -4.31 115.29 114.61 1a39 s HIS 41 Ca 0.03 -0.87 -0.18 0.00 -0.80 0.00 0.00 55.06 53.24 1a39 s HIS 41 Cb -0.14 -0.88 -0.03 0.00 -1.43 0.00 0.00 32.58 30.09 1a39 s HIS 41 CO -0.02 0.02 1.14 1.03 -2.00 0.00 0.00 174.74 174.91 1a39 s ARG 42 N -3.83 3.08 0.97 -0.38 0.52 -1.16 -0.62 118.95 117.53 1a39 s ARG 42 Ca 0.27 1.59 -0.12 0.00 -0.52 0.00 0.00 55.73 56.95 1a39 s ARG 42 Cb 0.05 -1.97 0.17 0.00 0.52 0.00 0.00 34.95 33.72 1a39 s ARG 42 CO 0.08 -1.07 1.09 0.00 0.02 0.00 0.00 175.30 175.42 1a39 s ALA 43 N -1.91 1.05 0.14 2.13 0.00 0.73 -4.77 121.76 119.12 1a39 s ALA 43 Ca 0.72 -0.19 -0.34 0.00 0.00 0.00 0.00 51.96 52.15 1a39 s ALA 43 Cb -0.24 -3.17 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 1a39 s ALA 43 CO 0.33 -2.76 1.11 -1.91 0.00 0.00 0.00 175.76 172.54 1a39 n GLU 44 N -4.15 0.88 -0.96 0.00 0.00 -1.26 -1.93 120.64 113.22 1a39 n GLU 44 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1a39 n GLU 44 Cb 0.56 -1.79 0.00 0.00 0.00 0.00 0.00 31.44 30.21 1a39 n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a39 n GLY 45 N 2.00 0.83 1.48 8.31 0.00 -1.26 -4.92 105.19 111.63 1a39 n GLY 45 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1a39 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a39 n LEU 46 N 0.00 4.36 0.00 0.99 4.77 -0.81 -5.06 117.00 121.25 1a39 n LEU 46 Ca 0.00 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 1a39 n LEU 46 Cb 0.01 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1a39 n LEU 46 CO 0.00 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1a39 n GLY 47 N 1.22 -0.43 3.84 -0.72 0.00 -1.26 -4.96 105.19 102.89 1a39 n GLY 47 Ca 0.24 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1a39 n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a39 s PRO 48 N -2.28 2.86 0.00 1.61 0.04 -1.26 -4.75 135.00 131.22 1a39 s PRO 48 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1a39 s PRO 48 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1a39 s PRO 48 CO 0.00 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1a39 n GLY 49 N -2.46 2.90 0.00 0.56 0.00 -1.26 -4.98 105.19 99.94 1a39 n GLY 49 Ca 0.07 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1a39 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a39 n GLY 50 N -0.87 3.24 2.44 -0.02 0.00 -1.26 -2.99 105.19 105.73 1a39 n GLY 50 Ca 0.00 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 1a39 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a39 n GLY 52 N -0.50 2.45 3.93 0.00 0.00 -1.26 -4.48 105.19 105.33 1a39 n GLY 52 Ca 0.40 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 1a39 n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a39 s ASP 53 N 0.00 6.29 0.43 1.61 1.01 -1.26 -4.85 116.67 119.90 1a39 s ASP 53 Ca 0.00 0.56 -0.25 0.00 0.71 0.00 0.00 52.55 53.57 1a39 s ASP 53 Cb 0.00 -2.08 -0.09 0.00 1.01 0.00 0.00 42.92 41.75 1a39 s ASP 53 CO 0.00 -0.36 1.21 1.87 0.21 0.00 0.00 175.17 178.11 1a39 n TRP 54 N -1.87 1.90 -0.09 4.23 -0.00 -1.26 -2.31 117.44 118.04 1a39 n TRP 54 Ca -0.04 0.51 0.00 0.00 -0.00 0.00 0.00 57.50 57.97 1a39 n TRP 54 Cb 0.56 -2.34 0.00 0.00 -0.00 0.00 0.00 31.31 29.53 1a39 n TRP 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1a39 n GLY 55 N 0.90 0.95 3.14 5.87 0.00 0.15 -4.99 105.19 111.20 1a39 n GLY 55 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1a39 n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a39 s ASN 56 N -2.77 0.40 0.92 1.61 0.01 -0.98 -4.83 114.94 109.31 1a39 s ASN 56 Ca 0.00 -1.16 -0.10 0.00 -0.71 0.00 0.00 52.86 50.89 1a39 s ASN 56 Cb 0.00 0.26 0.15 0.00 0.41 0.00 0.00 41.25 42.07 1a39 s ASN 56 CO 0.00 -0.69 1.13 -2.84 -1.51 0.00 0.00 177.10 173.19 1a39 s PRO 57 N -4.01 1.00 0.72 -0.60 0.02 -1.26 -2.51 135.00 128.36 1a39 s PRO 57 Ca 0.20 1.43 -0.14 0.00 0.02 0.00 0.00 61.00 62.52 1a39 s PRO 57 Cb 0.07 -1.73 0.03 0.00 0.02 0.00 0.00 34.50 32.89 1a39 s PRO 57 CO -0.01 -2.60 1.13 -1.25 -0.33 0.00 0.00 177.00 173.94 1a39 s PRO 58 N -4.67 2.38 0.21 5.54 0.05 -1.25 -4.68 135.00 132.57 1a39 s PRO 58 Ca 0.66 1.43 -0.32 0.00 0.05 0.00 0.00 61.00 62.82 1a39 s PRO 58 Cb -0.22 -1.89 -0.12 0.00 0.05 0.00 0.00 34.50 32.32 1a39 s PRO 58 CO 0.58 -1.58 1.71 -2.14 0.05 0.00 0.00 177.00 175.62 1a39 s PRO 59 N -4.28 4.13 0.44 0.56 0.02 -1.26 -4.83 135.00 129.78 1a39 s PRO 59 Ca 0.67 2.58 0.11 0.00 0.02 0.00 0.00 61.00 64.39 1a39 s PRO 59 Cb -0.22 -3.08 0.97 0.00 0.02 0.00 0.00 34.50 32.20 1a39 s PRO 59 CO 0.47 -0.74 2.03 0.87 -0.33 0.00 0.00 177.00 179.30 1a39 h LYS 60 N 6.76 0.22 0.93 5.54 1.57 -1.92 0.29 116.57 129.97 1a39 h LYS 60 Ca -0.43 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1a39 h LYS 60 Cb 1.20 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.47 1a39 h LYS 60 CO 0.95 0.24 -0.48 0.38 -0.57 0.00 0.00 179.45 179.96 1a39 h ASP 61 N 0.22 -1.17 1.21 0.86 2.03 -2.02 -3.05 116.42 114.50 1a39 h ASP 61 Ca 0.05 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1a39 h ASP 61 Cb 0.14 0.32 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1a39 h ASP 61 CO 0.00 -0.79 -0.31 -0.37 -1.03 0.00 0.00 179.24 176.74 1a39 h VAL 62 N -1.29 0.00 -2.12 4.15 -1.51 -1.94 -3.39 116.25 110.15 1a39 h VAL 62 Ca -0.13 -0.52 -0.58 0.00 -1.23 0.00 0.00 66.70 64.24 1a39 h VAL 62 Cb 1.00 1.32 -0.41 0.00 -2.13 0.00 0.00 31.29 31.07 1a39 h VAL 62 CO 0.18 0.00 -0.78 0.00 -1.23 0.00 0.00 177.57 175.74 1a39 h PRO 64 N 4.05 0.00 -3.64 0.00 0.13 -1.74 -3.41 132.00 127.38 1a39 h PRO 64 Ca 0.15 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.20 1a39 h PRO 64 Cb 0.74 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.79 1a39 h PRO 64 CO 0.70 0.30 -0.08 0.16 -0.23 0.00 0.00 178.00 178.85 1a39 s ASP 65 N -6.29 0.08 0.08 1.44 1.47 -1.26 -5.04 116.67 107.14 1a39 s ASP 65 Ca 0.01 -1.03 -0.25 0.00 1.18 0.00 0.00 52.55 52.47 1a39 s ASP 65 Cb 0.10 0.63 -0.16 0.00 -0.34 0.00 0.00 42.92 43.15 1a39 s ASP 65 CO 0.67 -1.23 1.68 0.58 0.68 0.00 0.00 175.17 177.54 1a39 h VAL 66 N 2.19 0.91 -0.48 2.11 2.07 -1.89 -0.26 116.25 120.90 1a39 h VAL 66 Ca -0.27 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.23 1a39 h VAL 66 Cb 1.25 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1a39 h VAL 66 CO 0.36 0.02 0.16 -0.33 0.02 0.00 0.00 177.57 177.80 1a39 h GLU 67 N -0.20 0.31 -0.40 1.57 3.07 -1.97 0.92 114.58 117.88 1a39 h GLU 67 Ca -0.02 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1a39 h GLU 67 Cb 0.16 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1a39 h GLU 67 CO 0.03 0.21 0.10 0.77 -1.40 0.00 0.00 179.01 178.71 1a39 h SER 68 N 0.32 0.62 -0.13 1.42 0.02 -1.80 -2.77 113.55 111.23 1a39 h SER 68 Ca 0.23 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1a39 h SER 68 Cb 0.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1a39 h SER 68 CO -0.25 0.69 -0.02 0.00 -1.14 0.00 0.00 176.83 176.11 1a39 h ALA 70 N 1.62 1.30 0.00 0.00 0.00 -0.62 -2.61 119.26 118.96 1a39 h ALA 70 Ca 0.08 -0.34 -0.25 0.00 0.00 0.00 0.00 54.91 54.40 1a39 h ALA 70 Cb 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1a39 h ALA 70 CO 0.01 0.49 -1.88 0.36 0.00 0.00 0.00 179.25 178.23 1a39 n LYS 71 N -4.10 0.65 0.00 0.00 2.85 -0.48 -3.86 118.16 113.22 1a39 n LYS 71 Ca -0.01 0.12 0.13 0.00 -1.05 0.00 0.00 58.31 57.50 1a39 n LYS 71 Cb 0.41 -1.67 0.49 0.00 -0.65 0.00 0.00 35.03 33.61 1a39 n LYS 71 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1a39 n ASN 72 N -2.81 0.42 -4.03 -5.58 3.02 0.50 -4.73 115.26 102.05 1a39 n ASN 72 Ca -0.19 -0.27 -0.28 0.00 -0.03 0.00 0.00 54.58 53.81 1a39 n ASN 72 Cb 0.97 -0.06 -0.17 0.00 -0.61 0.00 0.00 39.78 39.92 1a39 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a39 s ILE 74 N 1.12 3.49 -0.52 0.00 -1.09 0.21 -2.35 121.20 122.06 1a39 s ILE 74 Ca -0.04 -0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 57.71 1a39 s ILE 74 Cb -0.14 -2.55 0.06 0.00 -1.58 0.00 0.00 42.46 38.25 1a39 s ILE 74 CO -0.03 0.46 0.63 -0.32 -1.23 0.00 0.00 174.94 174.45 1a39 s MET 75 N 0.96 3.11 0.33 2.79 1.75 0.15 -1.15 119.30 127.24 1a39 s MET 75 Ca -0.00 -0.96 -0.27 0.00 -1.25 0.00 0.00 55.69 53.21 1a39 s MET 75 Cb -0.15 -4.12 -0.09 0.00 2.84 0.00 0.00 34.83 33.31 1a39 s MET 75 CO 0.01 -1.26 1.04 -1.21 -0.65 0.00 0.00 175.02 172.94 1a39 s GLU 76 N 2.61 4.47 0.67 4.11 0.41 -0.52 -1.07 118.70 129.38 1a39 s GLU 76 Ca 0.14 1.59 -0.14 0.00 -0.41 0.00 0.00 54.97 56.15 1a39 s GLU 76 Cb -0.20 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 1a39 s GLU 76 CO 0.11 0.12 1.08 0.20 -0.49 0.00 0.00 175.26 176.28 1a39 s GLY 77 N -1.29 1.97 -0.37 -1.39 0.00 -0.86 -4.26 107.32 101.12 1a39 s GLY 77 Ca 0.50 0.37 -0.09 0.00 0.00 0.00 0.00 44.72 45.50 1a39 s GLY 77 CO 0.32 0.71 0.19 -0.42 0.00 0.00 0.00 173.10 173.90 1a39 s ILE 78 N -2.59 4.28 -0.69 0.90 1.01 -1.20 -4.57 121.20 118.33 1a39 s ILE 78 Ca 0.63 -1.06 0.25 0.00 0.00 0.00 0.00 60.65 60.48 1a39 s ILE 78 Cb -0.17 -3.45 0.22 0.00 0.01 0.00 0.00 42.46 39.07 1a39 s ILE 78 CO 0.45 -0.28 1.63 1.55 0.00 0.00 0.00 174.94 178.29 1a39 h PRO 79 N 8.37 0.00 -2.58 2.79 0.13 -1.65 -1.34 132.00 137.72 1a39 h PRO 79 Ca -0.24 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.34 1a39 h PRO 79 Cb 1.09 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.84 1a39 h PRO 79 CO 0.67 0.00 -0.81 0.34 -0.23 0.00 0.00 178.00 177.96 1a39 s ASP 80 N -4.53 2.94 0.57 1.44 2.15 -1.26 -4.46 116.67 113.51 1a39 s ASP 80 Ca 0.09 -1.86 0.27 0.00 0.43 0.00 0.00 52.55 51.48 1a39 s ASP 80 Cb 0.12 -0.28 1.61 0.00 -0.30 0.00 0.00 42.92 44.07 1a39 s ASP 80 CO 0.64 -0.34 2.12 1.88 -0.17 0.00 0.00 175.17 179.30 1a39 h TYR 81 N 7.42 0.00 0.00 -5.34 -1.99 -1.82 -2.27 116.97 112.97 1a39 h TYR 81 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1a39 h TYR 81 Cb 0.99 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.72 1a39 h TYR 81 CO 0.39 0.00 -0.04 0.66 -0.00 0.00 0.00 178.16 179.17 1a39 h SER 82 N 0.00 0.00 0.44 3.88 4.64 -1.92 0.23 113.55 120.82 1a39 h SER 82 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1a39 h SER 82 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1a39 h SER 82 CO -0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1a39 n GLN 83 N -3.97 0.05 -0.33 4.77 1.13 -0.85 -2.26 117.38 115.92 1a39 n GLN 83 Ca -0.03 0.35 0.07 0.00 -1.94 0.00 0.00 57.00 55.46 1a39 n GLN 83 Cb 0.12 -1.62 0.21 0.00 0.11 0.00 0.00 30.24 29.07 1a39 n GLN 83 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1a39 n TYR 84 N -1.72 0.75 -1.03 1.08 4.02 0.78 -4.95 117.16 116.10 1a39 n TYR 84 Ca 0.02 -0.67 -0.01 0.00 -0.01 0.00 0.00 57.90 57.23 1a39 n TYR 84 Cb 0.15 -0.17 -0.00 0.00 -0.02 0.00 0.00 39.34 39.30 1a39 n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a39 n GLY 85 N 0.13 0.47 3.14 2.72 0.00 -0.96 -4.29 105.19 106.41 1a39 n GLY 85 Ca 0.17 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1a39 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a39 s VAL 86 N -2.04 2.43 0.03 1.61 1.01 -1.10 -0.13 120.40 122.22 1a39 s VAL 86 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1a39 s VAL 86 Cb 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1a39 s VAL 86 CO 0.00 0.23 -0.02 0.42 0.00 0.00 0.00 175.10 175.73 1a39 s THR 87 N 1.25 0.14 0.16 3.92 -4.23 -0.81 -2.97 115.64 113.09 1a39 s THR 87 Ca -0.01 -1.12 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 1a39 s THR 87 Cb -0.17 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 1a39 s THR 87 CO -0.07 -0.62 -0.13 0.42 -0.54 0.00 0.00 174.62 173.68 1a39 s THR 88 N -2.09 1.43 -0.34 3.99 -4.23 -1.26 -0.37 115.64 112.77 1a39 s THR 88 Ca -0.10 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1a39 s THR 88 Cb -0.05 -1.79 0.16 0.00 1.34 0.00 0.00 72.50 72.16 1a39 s THR 88 CO -0.03 -0.56 0.45 0.21 -0.54 0.00 0.00 174.62 174.14 1a39 s ASN 89 N -2.93 0.16 1.38 3.99 2.47 0.40 -4.99 114.94 115.42 1a39 s ASN 89 Ca 0.16 -0.80 0.00 0.00 0.42 0.00 0.00 52.86 52.63 1a39 s ASN 89 Cb -0.01 1.15 0.00 0.00 -1.45 0.00 0.00 41.25 40.93 1a39 s ASN 89 CO 0.04 -0.29 0.00 0.61 -3.72 0.00 0.00 177.10 173.74 1a39 n GLY 90 N 4.84 1.37 0.94 1.21 0.00 -1.26 -2.12 105.19 110.16 1a39 n GLY 90 Ca 0.06 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1a39 n GLY 90 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a39 n THR 91 N 0.00 0.74 -4.33 2.61 -2.24 -1.26 -0.82 114.28 108.98 1a39 n THR 91 Ca 0.00 -0.87 -0.35 0.00 -2.27 0.00 0.00 64.05 60.56 1a39 n THR 91 Cb 0.00 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 68.87 1a39 n THR 91 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a39 s SER 92 N -1.13 5.31 -0.15 3.42 0.01 -0.90 -1.09 113.70 119.18 1a39 s SER 92 Ca 0.33 0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.75 1a39 s SER 92 Cb 0.18 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.87 1a39 s SER 92 CO 0.24 0.37 -0.17 -0.22 0.41 0.00 0.00 173.24 173.87 1a39 s LEU 93 N -0.81 2.37 -0.17 2.44 2.96 0.96 -0.46 118.68 125.98 1a39 s LEU 93 Ca 0.12 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1a39 s LEU 93 Cb -0.11 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1a39 s LEU 93 CO 0.02 0.09 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.45 1a39 s ARG 94 N 0.76 3.38 -0.20 1.98 3.52 0.50 -1.02 118.95 127.87 1a39 s ARG 94 Ca -0.07 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 1a39 s ARG 94 Cb -0.16 -2.78 0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1a39 s ARG 94 CO 0.00 0.04 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.85 1a39 s LEU 95 N 0.81 2.42 -0.25 -0.88 1.43 -0.25 -1.93 118.68 120.04 1a39 s LEU 95 Ca -0.03 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.13 1a39 s LEU 95 Cb -0.15 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1a39 s LEU 95 CO 0.01 -0.04 0.31 -1.10 0.23 0.00 0.00 176.35 175.76 1a39 s GLN 96 N 1.25 4.06 0.06 1.70 -0.21 0.82 -1.54 119.66 125.81 1a39 s GLN 96 Ca 0.02 -0.03 -0.18 0.00 0.02 0.00 0.00 55.36 55.20 1a39 s GLN 96 Cb -0.14 -3.60 -0.13 0.00 1.00 0.00 0.00 33.01 30.14 1a39 s GLN 96 CO -0.11 -0.13 1.35 1.25 -2.12 0.00 0.00 175.29 175.53 1a39 h HIS 97 N 7.83 0.63 -3.35 0.91 -0.00 -1.58 -3.37 115.15 116.21 1a39 h HIS 97 Ca -0.35 -0.21 -0.60 0.00 -0.00 0.00 0.00 60.37 59.21 1a39 h HIS 97 Cb 1.17 -0.12 -0.33 0.00 -0.00 0.00 0.00 27.41 28.12 1a39 h HIS 97 CO 0.72 0.90 -0.85 0.42 -0.00 0.00 0.00 177.93 179.12 1a39 s ILE 98 N -4.19 1.64 0.63 6.26 1.01 -1.25 -1.98 121.20 123.30 1a39 s ILE 98 Ca -0.13 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1a39 s ILE 98 Cb 0.06 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1a39 s ILE 98 CO 0.79 0.47 0.98 -0.76 0.00 0.00 0.00 174.94 176.42 1a39 s LEU 99 N 0.57 3.15 0.33 2.97 1.43 0.21 -4.77 118.68 122.57 1a39 s LEU 99 Ca -0.15 0.97 0.11 0.00 -1.03 0.00 0.00 54.13 54.03 1a39 s LEU 99 Cb -0.17 -3.83 0.92 0.00 0.03 0.00 0.00 46.19 43.14 1a39 s LEU 99 CO 0.05 -1.09 1.74 -0.65 0.23 0.00 0.00 176.35 176.62 1a39 h PRO 100 N -0.33 0.54 -0.10 1.29 0.11 -1.98 0.58 132.00 132.11 1a39 h PRO 100 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1a39 h PRO 100 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1a39 h PRO 100 CO 0.62 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1a39 n ASP 101 N -4.84 0.23 0.00 -2.05 5.68 -1.26 -4.91 116.55 109.40 1a39 n ASP 101 Ca 0.27 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1a39 n ASP 101 Cb 0.77 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 1a39 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a39 n GLY 102 N 0.50 2.95 3.72 6.12 0.00 0.20 -5.04 105.19 113.64 1a39 n GLY 102 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1a39 n GLY 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a39 s ARG 103 N -0.56 2.19 -0.66 1.61 0.52 -1.26 -4.69 118.95 116.11 1a39 s ARG 103 Ca 0.00 1.96 0.05 0.00 -0.52 0.00 0.00 55.73 57.22 1a39 s ARG 103 Cb 0.00 -1.82 0.19 0.00 0.52 0.00 0.00 34.95 33.85 1a39 s ARG 103 CO 0.00 -1.84 0.55 0.28 0.02 0.00 0.00 175.30 174.31 1a39 n VAL 104 N -2.44 1.52 0.17 3.52 0.31 -1.26 -0.62 118.33 119.52 1a39 n VAL 104 Ca 0.15 -4.82 0.03 0.00 -0.01 0.00 0.00 64.34 59.70 1a39 n VAL 104 Cb 0.49 -2.11 0.43 0.00 -0.91 0.00 0.00 33.84 31.73 1a39 n VAL 104 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1a39 h PRO 105 N 5.03 0.12 -6.91 5.55 0.13 -1.80 -3.48 132.00 130.64 1a39 h PRO 105 Ca 0.17 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.68 1a39 h PRO 105 Cb 0.74 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1a39 h PRO 105 CO 0.71 0.30 -1.02 0.45 -0.23 0.00 0.00 178.00 178.22 1a39 n SER 106 N -4.27 -4.21 -4.76 1.44 2.88 -0.84 -4.79 113.62 99.07 1a39 n SER 106 Ca -0.02 -1.28 -0.38 0.00 -1.33 0.00 0.00 58.87 55.86 1a39 n SER 106 Cb 0.28 -1.72 0.02 0.00 -0.75 0.00 0.00 64.21 62.04 1a39 n SER 106 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1a39 s PRO 107 N -7.32 3.42 -0.09 -1.46 0.04 -1.26 -4.74 135.00 123.59 1a39 s PRO 107 Ca 0.48 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.62 1a39 s PRO 107 Cb -0.26 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 31.94 1a39 s PRO 107 CO 0.97 -0.92 -0.11 0.50 0.04 0.00 0.00 177.00 177.48 1a39 s ARG 108 N -2.77 1.69 0.21 4.56 3.52 -1.26 -2.83 118.95 122.07 1a39 s ARG 108 Ca 0.67 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.95 1a39 s ARG 108 Cb -0.36 -1.53 -0.05 0.00 -1.56 0.00 0.00 34.95 31.45 1a39 s ARG 108 CO 0.44 -0.09 -0.06 0.14 -0.81 0.00 0.00 175.30 174.92 1a39 s VAL 109 N 1.09 1.23 0.20 7.11 -7.23 0.17 -1.65 120.40 121.31 1a39 s VAL 109 Ca -0.06 -2.07 0.11 0.00 -1.81 0.00 0.00 61.98 58.14 1a39 s VAL 109 Cb -0.14 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1a39 s VAL 109 CO -0.01 -0.49 -0.22 -0.31 -0.31 0.00 0.00 175.10 173.76 1a39 s TYR 110 N -3.29 2.16 -0.11 2.82 2.02 0.48 -0.85 117.35 120.58 1a39 s TYR 110 Ca 0.24 -0.39 -0.23 0.00 -0.37 0.00 0.00 57.07 56.33 1a39 s TYR 110 Cb 0.04 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1a39 s TYR 110 CO 0.06 0.48 0.68 -1.17 -1.57 0.00 0.00 175.55 174.04 1a39 s LEU 111 N -2.79 4.26 0.16 -1.29 2.96 -0.23 -1.50 118.68 120.25 1a39 s LEU 111 Ca 0.21 1.08 0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1a39 s LEU 111 Cb -0.07 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1a39 s LEU 111 CO 0.10 -0.17 0.26 -0.76 -1.32 0.00 0.00 176.35 174.46 1a39 s LEU 112 N 1.15 4.22 0.00 -0.68 1.43 0.37 -1.09 118.68 124.08 1a39 s LEU 112 Ca 0.35 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 1a39 s LEU 112 Cb -0.17 -2.80 0.23 0.00 0.03 0.00 0.00 46.19 43.49 1a39 s LEU 112 CO 0.15 0.04 0.94 -0.90 0.23 0.00 0.00 176.35 176.81 1a39 n ASP 113 N -0.60 -1.42 0.15 2.29 5.68 0.04 -1.91 116.55 120.78 1a39 n ASP 113 Ca -0.07 -1.13 0.12 0.00 -0.50 0.00 0.00 54.79 53.21 1a39 n ASP 113 Cb 0.54 -0.82 0.54 0.00 -1.14 0.00 0.00 41.12 40.25 1a39 n ASP 113 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1a39 n LYS 114 N -4.00 0.18 0.07 0.11 2.85 -1.25 -2.32 118.16 113.79 1a39 n LYS 114 Ca 0.13 0.52 0.12 0.00 -1.05 0.00 0.00 58.31 58.02 1a39 n LYS 114 Cb 0.48 -1.92 0.04 0.00 -0.65 0.00 0.00 35.03 32.97 1a39 n LYS 114 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1a39 n THR 115 N -2.27 0.43 -0.35 0.58 -2.24 -1.26 -4.96 114.28 104.21 1a39 n THR 115 Ca 0.01 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1a39 n THR 115 Cb 0.15 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1a39 n THR 115 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a39 n LYS 116 N -2.37 0.00 0.01 -0.78 5.02 -0.98 -4.82 118.16 114.23 1a39 n LYS 116 Ca 0.01 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.41 1a39 n LYS 116 Cb 0.50 -1.84 0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1a39 n LYS 116 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1a39 n ARG 117 N -2.00 0.07 -3.87 1.97 1.74 -1.26 -4.09 116.66 109.23 1a39 n ARG 117 Ca 0.00 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1a39 n ARG 117 Cb 0.00 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 29.83 1a39 n ARG 117 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1a39 s ARG 118 N -3.05 0.58 0.46 5.56 3.52 -1.26 -4.50 118.95 120.26 1a39 s ARG 118 Ca 0.08 -0.54 -0.23 0.00 -0.13 0.00 0.00 55.73 54.91 1a39 s ARG 118 Cb 0.16 0.24 -0.07 0.00 -1.56 0.00 0.00 34.95 33.72 1a39 s ARG 118 CO 0.79 -0.15 1.15 0.71 -0.81 0.00 0.00 175.30 176.99 1a39 s TYR 119 N -2.02 2.89 0.28 5.12 2.02 0.74 -0.78 117.35 125.60 1a39 s TYR 119 Ca -0.10 1.54 -0.29 0.00 -0.37 0.00 0.00 57.07 57.85 1a39 s TYR 119 Cb -0.04 -3.35 -0.10 0.00 -0.40 0.00 0.00 41.96 38.07 1a39 s TYR 119 CO -0.01 -1.44 1.42 -2.00 -1.57 0.00 0.00 175.55 171.94 1a39 s GLU 120 N -2.74 4.27 -0.35 -0.62 2.56 -0.25 -4.43 118.70 117.13 1a39 s GLU 120 Ca 0.64 2.32 -0.10 0.00 0.00 0.00 0.00 54.97 57.83 1a39 s GLU 120 Cb -0.28 -3.08 0.02 0.00 2.00 0.00 0.00 34.13 32.79 1a39 s GLU 120 CO 0.33 -0.38 0.19 -1.64 -0.56 0.00 0.00 175.26 173.20 1a39 s MET 121 N -0.89 3.00 -0.03 4.30 -1.94 -1.26 -4.38 119.30 118.10 1a39 s MET 121 Ca 0.56 -0.96 -0.17 0.00 -1.71 0.00 0.00 55.69 53.41 1a39 s MET 121 Cb -0.42 -3.68 -0.05 0.00 2.01 0.00 0.00 34.83 32.69 1a39 s MET 121 CO 0.48 -0.60 0.47 -0.51 -0.01 0.00 0.00 175.02 174.84 1a39 s LEU 122 N 1.57 4.41 -0.49 -0.03 1.02 0.10 -4.76 118.68 120.51 1a39 s LEU 122 Ca 0.03 0.97 0.04 0.00 0.02 0.00 0.00 54.13 55.19 1a39 s LEU 122 Cb -0.18 -2.69 0.13 0.00 0.02 0.00 0.00 46.19 43.46 1a39 s LEU 122 CO 0.06 0.19 0.23 -1.00 0.02 0.00 0.00 176.35 175.86 1a39 s HIS 123 N -0.46 3.19 -1.31 0.29 3.76 -1.26 -0.55 115.29 118.95 1a39 s HIS 123 Ca 0.26 -3.10 0.23 0.00 -0.15 0.00 0.00 55.06 52.29 1a39 s HIS 123 Cb -0.17 -2.78 0.05 0.00 1.11 0.00 0.00 32.58 30.79 1a39 s HIS 123 CO 0.13 -0.77 1.10 1.28 -0.85 0.00 0.00 174.74 175.63 1a39 n LEU 124 N 3.30 1.15 -4.70 0.89 4.77 -1.10 -4.85 117.00 116.45 1a39 n LEU 124 Ca 0.05 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 1a39 n LEU 124 Cb 0.34 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1a39 n LEU 124 CO 0.32 0.25 1.41 -0.89 -1.33 0.00 0.00 177.39 177.14 1a39 s THR 125 N -2.83 2.40 0.00 -5.08 2.01 -1.26 -0.76 115.64 110.11 1a39 s THR 125 Ca 0.12 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1a39 s THR 125 Cb 0.17 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1a39 s THR 125 CO 0.74 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 1a39 n GLY 126 N 4.08 0.67 3.31 4.40 0.00 0.19 -4.97 105.19 112.87 1a39 n GLY 126 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1a39 n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a39 n PHE 127 N -2.63 -0.32 -4.21 1.61 3.72 0.06 -4.57 117.46 111.14 1a39 n PHE 127 Ca 0.00 -2.73 -0.17 0.00 -0.05 0.00 0.00 57.45 54.50 1a39 n PHE 127 Cb 0.00 0.14 -0.11 0.00 -0.94 0.00 0.00 39.48 38.57 1a39 n PHE 127 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1a39 s GLU 128 N -3.47 0.93 -0.07 -1.08 -1.05 0.10 -1.75 118.70 112.31 1a39 s GLU 128 Ca 0.30 -1.17 0.05 0.00 -0.15 0.00 0.00 54.97 54.00 1a39 s GLU 128 Cb 0.01 -0.76 -0.00 0.00 -0.44 0.00 0.00 34.13 32.95 1a39 s GLU 128 CO 0.21 0.14 -0.22 0.12 0.95 0.00 0.00 175.26 176.46 1a39 s PHE 129 N -2.13 2.29 0.08 4.83 2.19 0.31 -1.90 117.98 123.64 1a39 s PHE 129 Ca 0.06 -0.81 0.02 0.00 0.33 0.00 0.00 56.93 56.53 1a39 s PHE 129 Cb -0.05 -1.53 -0.03 0.00 -1.31 0.00 0.00 43.02 40.10 1a39 s PHE 129 CO 0.02 -0.30 -0.08 0.99 1.83 0.00 0.00 175.22 177.68 1a39 s THR 130 N 0.17 0.69 0.03 0.12 2.01 0.31 -1.12 115.64 117.84 1a39 s THR 130 Ca -0.11 -1.54 -0.27 0.00 0.31 0.00 0.00 61.69 60.07 1a39 s THR 130 Cb -0.15 -1.20 0.08 0.00 0.01 0.00 0.00 72.50 71.24 1a39 s THR 130 CO 0.06 -0.61 0.71 0.72 -0.69 0.00 0.00 174.62 174.81 1a39 s PHE 131 N -2.50 -0.54 0.07 4.92 -0.71 -0.98 -0.79 117.98 117.46 1a39 s PHE 131 Ca 0.02 0.63 0.01 0.00 -1.04 0.00 0.00 56.93 56.55 1a39 s PHE 131 Cb -0.02 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 1a39 s PHE 131 CO -0.02 -0.67 0.19 -0.51 -1.34 0.00 0.00 175.22 172.88 1a39 s ASP 132 N -1.97 6.17 0.04 1.98 1.01 -0.25 -0.52 116.67 123.12 1a39 s ASP 132 Ca -0.03 0.19 -0.07 0.00 0.71 0.00 0.00 52.55 53.35 1a39 s ASP 132 Cb -0.01 -1.85 -0.00 0.00 1.01 0.00 0.00 42.92 42.07 1a39 s ASP 132 CO -0.03 0.16 0.14 0.54 0.21 0.00 0.00 175.17 176.19 1a39 s VAL 133 N -1.51 0.12 -0.24 -1.27 0.11 -0.16 -0.86 120.40 116.59 1a39 s VAL 133 Ca 0.34 -1.01 -0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1a39 s VAL 133 Cb -0.13 -0.91 0.06 0.00 -1.53 0.00 0.00 36.38 33.88 1a39 s VAL 133 CO 0.27 -0.56 -0.02 -0.62 -3.33 0.00 0.00 175.10 170.84 1a39 s ASP 134 N -2.12 3.70 -0.10 3.54 -1.08 -0.85 -2.29 116.67 117.47 1a39 s ASP 134 Ca -0.05 -1.17 0.15 0.00 -0.52 0.00 0.00 52.55 50.96 1a39 s ASP 134 Cb -0.01 -1.04 0.51 0.00 -1.46 0.00 0.00 42.92 40.91 1a39 s ASP 134 CO -0.04 -0.27 1.42 0.00 0.52 0.00 0.00 175.17 176.80 1a39 n ALA 135 N 4.75 2.75 -0.06 3.66 0.00 -1.26 -3.27 120.51 127.07 1a39 n ALA 135 Ca -0.10 -1.71 0.18 0.00 0.00 0.00 0.00 53.44 51.81 1a39 n ALA 135 Cb 0.44 -0.70 0.61 0.00 0.00 0.00 0.00 19.45 19.80 1a39 n ALA 135 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1a39 h THR 136 N 2.50 0.77 -0.93 0.00 1.35 -1.88 -2.36 112.91 112.36 1a39 h THR 136 Ca 0.00 -0.06 -0.53 0.00 -0.55 0.00 0.00 66.41 65.26 1a39 h THR 136 Cb 1.21 0.57 -0.28 0.00 -1.73 0.00 0.00 68.15 67.92 1a39 h THR 136 CO 0.15 0.03 0.68 0.29 -0.25 0.00 0.00 175.52 176.43 1a39 n LYS 137 N -4.42 2.30 -3.80 4.72 5.02 -1.26 -4.77 118.16 115.94 1a39 n LYS 137 Ca 0.11 -2.89 -0.30 0.00 -2.02 0.00 0.00 58.31 53.21 1a39 n LYS 137 Cb 0.56 -2.13 -0.14 0.00 -0.02 0.00 0.00 35.03 33.29 1a39 n LYS 137 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a39 s LEU 138 N -3.24 3.16 1.12 -0.35 1.43 -0.89 -3.14 118.68 116.78 1a39 s LEU 138 Ca 0.56 -2.35 -0.18 0.00 -1.03 0.00 0.00 54.13 51.13 1a39 s LEU 138 Cb 0.46 -1.18 0.26 0.00 0.03 0.00 0.00 46.19 45.75 1a39 s LEU 138 CO 0.06 -0.32 1.19 -2.16 0.23 0.00 0.00 176.35 175.35 1a39 s PRO 139 N 0.68 -0.57 0.21 1.29 0.04 -1.26 -0.79 135.00 134.60 1a39 s PRO 139 Ca 0.14 -0.19 -0.28 0.00 0.04 0.00 0.00 61.00 60.71 1a39 s PRO 139 Cb -0.22 -1.68 -0.17 0.00 0.04 0.00 0.00 34.50 32.47 1a39 s PRO 139 CO -0.08 -3.25 0.56 0.00 0.04 0.00 0.00 177.00 174.27 1a39 n GLY 141 N 1.94 2.86 3.79 0.00 0.00 -1.26 -4.45 105.19 108.06 1a39 n GLY 141 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1a39 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a39 s MET 142 N -0.05 4.54 -0.16 1.61 1.00 -1.02 -4.21 119.30 121.00 1a39 s MET 142 Ca 0.00 1.27 -0.01 0.00 0.00 0.00 0.00 55.69 56.94 1a39 s MET 142 Cb 0.00 -2.81 0.05 0.00 0.00 0.00 0.00 34.83 32.06 1a39 s MET 142 CO 0.00 0.30 -0.02 1.21 0.00 0.00 0.00 175.02 176.51 1a39 s ASN 143 N -1.62 2.74 -0.24 3.03 3.84 -0.16 -4.37 114.94 118.16 1a39 s ASN 143 Ca 0.49 -0.66 -0.10 0.00 0.21 0.00 0.00 52.86 52.81 1a39 s ASN 143 Cb -0.18 -0.77 -0.05 0.00 -0.55 0.00 0.00 41.25 39.70 1a39 s ASN 143 CO 0.23 -0.22 0.14 -0.94 -2.79 0.00 0.00 177.10 173.52 1a39 s SER 144 N 1.73 5.92 0.17 -4.21 1.04 -0.17 -1.57 113.70 116.61 1a39 s SER 144 Ca 0.00 0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.56 1a39 s SER 144 Cb -0.16 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1a39 s SER 144 CO -0.07 0.04 -0.18 0.00 0.98 0.00 0.00 173.24 174.01 1a39 s ALA 145 N 1.18 2.01 -0.25 5.32 0.00 0.14 -0.89 121.76 129.26 1a39 s ALA 145 Ca 0.07 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1a39 s ALA 145 Cb -0.14 -0.18 0.13 0.00 0.00 0.00 0.00 23.12 22.94 1a39 s ALA 145 CO 0.05 0.22 0.49 -1.17 0.00 0.00 0.00 175.76 175.35 1a39 s LEU 146 N -2.72 -0.90 0.28 0.00 0.20 -0.45 -0.89 118.68 114.21 1a39 s LEU 146 Ca 0.16 0.85 -0.18 0.00 0.69 0.00 0.00 54.13 55.66 1a39 s LEU 146 Cb -0.05 1.64 0.02 0.00 -0.43 0.00 0.00 46.19 47.36 1a39 s LEU 146 CO 0.07 -0.26 0.66 -0.72 -0.29 0.00 0.00 176.35 175.81 1a39 s TYR 147 N 2.70 0.02 -0.06 5.38 1.13 0.34 -0.67 117.35 126.19 1a39 s TYR 147 Ca 0.07 -0.47 0.04 0.00 -1.41 0.00 0.00 57.07 55.30 1a39 s TYR 147 Cb -0.14 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.27 1a39 s TYR 147 CO -0.17 -1.21 -0.19 -0.51 -2.51 0.00 0.00 175.55 170.97 1a39 s LEU 148 N -2.97 2.46 -0.01 -3.49 1.43 -0.57 0.02 118.68 115.56 1a39 s LEU 148 Ca 0.15 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1a39 s LEU 148 Cb -0.04 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1a39 s LEU 148 CO 0.08 0.29 -0.07 -0.44 0.23 0.00 0.00 176.35 176.44 1a39 s SER 149 N -0.43 0.88 -1.53 2.29 0.01 -0.78 -0.80 113.70 113.34 1a39 s SER 149 Ca 0.05 -0.14 -0.10 0.00 1.31 0.00 0.00 55.95 57.07 1a39 s SER 149 Cb -0.12 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1a39 s SER 149 CO 0.02 0.09 2.68 1.21 0.41 0.00 0.00 173.24 177.65 1a39 n GLU 150 N 2.89 3.73 -2.47 12.44 2.13 -0.89 -1.76 120.64 136.71 1a39 n GLU 150 Ca -0.13 -2.57 -0.32 0.00 0.66 0.00 0.00 57.16 54.80 1a39 n GLU 150 Cb 0.57 -2.86 -0.03 0.00 0.27 0.00 0.00 31.44 29.40 1a39 n GLU 150 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 1a39 s MET 151 N 1.63 3.89 0.29 5.31 -1.94 -1.26 -3.33 119.30 123.88 1a39 s MET 151 Ca 0.62 0.83 -0.29 0.00 -1.71 0.00 0.00 55.69 55.14 1a39 s MET 151 Cb 0.17 -2.19 -0.10 0.00 2.01 0.00 0.00 34.83 34.72 1a39 s MET 151 CO -0.07 -0.23 1.11 -1.58 -0.01 0.00 0.00 175.02 174.24 1a39 s HIS 152 N -2.60 3.51 0.43 -0.03 2.46 -1.26 -4.71 115.29 113.10 1a39 s HIS 152 Ca 0.57 1.68 0.15 0.00 0.47 0.00 0.00 55.06 57.93 1a39 s HIS 152 Cb -0.10 -3.30 1.06 0.00 -0.13 0.00 0.00 32.58 30.11 1a39 s HIS 152 CO 0.33 -0.65 1.95 -1.00 -2.47 0.00 0.00 174.74 172.90 1a39 h PRO 153 N 3.66 0.38 -0.26 2.88 0.13 -1.96 -1.45 132.00 135.39 1a39 h PRO 153 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1a39 h PRO 153 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1a39 h PRO 153 CO 0.66 0.25 0.00 0.25 -0.23 0.00 0.00 178.00 178.94 1a39 n THR 154 N -4.47 0.38 -0.81 1.56 -2.24 -1.26 -0.19 114.28 107.25 1a39 n THR 154 Ca 0.12 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1a39 n THR 154 Cb 0.46 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1a39 n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a39 n GLY 155 N 1.26 0.52 3.39 3.38 0.00 -0.54 0.07 105.19 113.27 1a39 n GLY 155 Ca 0.16 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 1a39 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a39 n ALA 156 N 0.44 -1.18 -1.65 4.61 0.00 -1.26 -3.99 120.51 117.48 1a39 n ALA 156 Ca 0.00 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.37 1a39 n ALA 156 Cb 0.00 -5.05 -0.02 0.00 0.00 0.00 0.00 19.45 14.39 1a39 n ALA 156 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a39 n LYS 157 N -4.57 1.80 -2.50 0.00 4.81 -1.20 -4.82 118.16 111.67 1a39 n LYS 157 Ca 0.01 0.63 -0.03 0.00 -0.87 0.00 0.00 58.31 58.05 1a39 n LYS 157 Cb 0.55 -2.16 0.01 0.00 0.02 0.00 0.00 35.03 33.45 1a39 n LYS 157 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a39 n SER 158 N 1.33 -1.04 -0.03 3.14 3.41 -0.44 -4.97 113.62 115.02 1a39 n SER 158 Ca 0.09 -1.66 -0.09 0.00 -0.26 0.00 0.00 58.87 56.95 1a39 n SER 158 Cb 0.33 1.72 -0.03 0.00 -0.26 0.00 0.00 64.21 65.97 1a39 n SER 158 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1a39 h LYS 159 N 0.00 0.11 -0.01 4.33 3.64 -2.01 -2.44 116.57 120.19 1a39 h LYS 159 Ca -0.16 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1a39 h LYS 159 Cb 0.61 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1a39 h LYS 159 CO 0.20 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 178.11 1a39 n TYR 160 N -5.09 0.00 -3.34 1.91 4.01 -1.26 -4.26 117.16 109.13 1a39 n TYR 160 Ca -0.03 -0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 1a39 n TYR 160 Cb 0.08 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 1a39 n TYR 160 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1a39 n ASN 161 N -0.48 1.48 0.25 7.72 5.15 -0.93 -4.71 115.26 123.74 1a39 n ASN 161 Ca 0.22 -2.94 0.16 0.00 -0.60 0.00 0.00 54.58 51.41 1a39 n ASN 161 Cb 0.22 -0.65 0.56 0.00 -0.53 0.00 0.00 39.78 39.38 1a39 n ASN 161 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1a39 h PRO 162 N 4.32 0.00 -0.08 1.20 0.13 -1.70 -1.16 132.00 134.71 1a39 h PRO 162 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1a39 h PRO 162 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1a39 h PRO 162 CO 0.59 0.00 -0.03 0.78 -0.23 0.00 0.00 178.00 179.12 1a39 h GLY 163 N 2.52 0.16 0.00 1.56 0.00 -1.91 -3.47 103.07 101.93 1a39 h GLY 163 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1a39 h GLY 163 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1a39 n GLY 164 N -0.05 0.18 0.39 4.60 0.00 -1.24 -3.33 105.19 105.76 1a39 n GLY 164 Ca -0.07 -0.97 0.19 0.00 0.00 0.00 0.00 46.02 45.18 1a39 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a39 h ALA 165 N -0.74 2.38 -0.08 4.61 0.00 -0.60 -0.08 119.26 124.76 1a39 h ALA 165 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1a39 h ALA 165 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a39 h ALA 165 CO 0.00 -0.58 0.09 -0.92 0.00 0.00 0.00 179.25 177.84 1a39 h TYR 166 N 0.19 0.00 -0.25 0.00 5.03 -1.70 -0.73 116.97 119.51 1a39 h TYR 166 Ca 0.34 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.65 1a39 h TYR 166 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.34 1a39 h TYR 166 CO -0.00 0.00 0.00 0.66 -1.32 0.00 0.00 178.16 177.50 1a39 n TYR 167 N -3.78 0.64 -2.62 -3.82 4.02 -0.10 -4.97 117.16 106.53 1a39 n TYR 167 Ca -0.01 -0.73 -0.11 0.00 -0.01 0.00 0.00 57.90 57.04 1a39 n TYR 167 Cb 0.19 -0.19 0.02 0.00 -0.02 0.00 0.00 39.34 39.34 1a39 n TYR 167 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a39 n GLY 168 N -0.23 0.10 3.92 2.72 0.00 -0.28 -2.68 105.19 108.74 1a39 n GLY 168 Ca 0.16 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1a39 n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a39 s THR 169 N -2.84 2.13 0.00 2.61 -4.23 -0.85 -1.40 115.64 111.06 1a39 s THR 169 Ca 0.15 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1a39 s THR 169 Cb -0.06 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1a39 s THR 169 CO 0.18 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1a39 n GLY 170 N -3.17 0.58 3.65 3.99 0.00 -1.26 -4.53 105.19 104.46 1a39 n GLY 170 Ca 0.09 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1a39 n GLY 170 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1a39 n TYR 171 N -2.84 1.77 -3.76 1.61 9.36 -1.26 -4.62 117.16 117.41 1a39 n TYR 171 Ca 0.00 0.59 -0.10 0.00 3.32 0.00 0.00 57.90 61.72 1a39 n TYR 171 Cb 0.00 -2.33 -0.05 0.00 -0.63 0.00 0.00 39.34 36.33 1a39 n TYR 171 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a39 n ASP 173 N -0.20 -0.18 -0.06 0.00 5.68 -1.16 -4.75 116.55 115.87 1a39 n ASP 173 Ca -0.13 -1.12 0.14 0.00 -0.50 0.00 0.00 54.79 53.18 1a39 n ASP 173 Cb 0.63 0.30 0.68 0.00 -1.14 0.00 0.00 41.12 41.60 1a39 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a39 n ALA 174 N -2.81 2.65 1.28 2.12 0.00 -1.16 -1.56 120.51 121.02 1a39 n ALA 174 Ca -0.01 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.35 1a39 n ALA 174 Cb 0.05 -1.41 0.46 0.00 0.00 0.00 0.00 19.45 18.55 1a39 n ALA 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1a39 n GLN 175 N -1.11 0.71 -3.88 0.00 1.13 -1.26 -4.02 117.38 108.94 1a39 n GLN 175 Ca 0.15 -0.36 -0.26 0.00 -1.94 0.00 0.00 57.00 54.58 1a39 n GLN 175 Cb 0.26 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.12 1a39 n GLN 175 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a39 s PHE 177 N -3.61 3.11 -0.27 0.00 0.08 -1.25 -4.11 117.98 111.93 1a39 s PHE 177 Ca 0.26 1.59 -0.18 0.00 0.12 0.00 0.00 56.93 58.72 1a39 s PHE 177 Cb -0.14 -2.98 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 1a39 s PHE 177 CO 0.85 -0.58 0.50 0.08 -0.10 0.00 0.00 175.22 175.98 1a39 s VAL 178 N -2.07 5.07 0.18 -0.44 1.01 -1.26 -1.19 120.40 121.71 1a39 s VAL 178 Ca 0.65 0.80 0.10 0.00 0.00 0.00 0.00 61.98 63.53 1a39 s VAL 178 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1a39 s VAL 178 CO 0.18 0.06 -0.21 0.42 0.00 0.00 0.00 175.10 175.55 1a39 s THR 179 N 2.30 2.09 0.39 3.92 -4.23 -1.26 0.30 115.64 119.14 1a39 s THR 179 Ca 0.20 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.81 1a39 s THR 179 Cb -0.16 -1.99 0.17 0.00 1.34 0.00 0.00 72.50 71.87 1a39 s THR 179 CO 0.10 -0.23 1.93 1.55 -0.54 0.00 0.00 174.62 177.42 1a39 h PRO 180 N 3.18 0.29 -5.93 3.99 0.13 -1.67 -3.41 132.00 128.58 1a39 h PRO 180 Ca -0.44 -0.06 -0.63 0.00 -0.87 0.00 0.00 66.00 64.00 1a39 h PRO 180 Cb 1.21 -0.04 -0.30 0.00 0.13 0.00 0.00 31.00 31.99 1a39 h PRO 180 CO 0.50 0.39 -0.86 -0.06 -0.23 0.00 0.00 178.00 177.74 1a39 s PHE 181 N -4.83 2.02 -0.09 1.56 0.40 -1.26 -0.47 117.98 115.31 1a39 s PHE 181 Ca -0.06 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1a39 s PHE 181 Cb 0.16 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.38 1a39 s PHE 181 CO 0.73 -0.11 -0.13 0.42 0.70 0.00 0.00 175.22 176.84 1a39 s ILE 182 N -0.31 1.28 -1.46 0.64 1.01 -0.37 -4.74 121.20 117.26 1a39 s ILE 182 Ca 0.03 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1a39 s ILE 182 Cb -0.10 -1.18 0.05 0.00 0.01 0.00 0.00 42.46 41.23 1a39 s ILE 182 CO 0.01 0.39 0.88 0.59 0.00 0.00 0.00 174.94 176.81 1a39 n ASN 183 N 4.08 -5.35 -0.45 3.58 3.02 -1.26 -0.98 115.26 117.90 1a39 n ASN 183 Ca -0.20 -0.55 -0.06 0.00 -0.03 0.00 0.00 54.58 53.74 1a39 n ASN 183 Cb 0.51 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 1a39 n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a39 n GLY 184 N -1.66 0.75 3.19 7.41 0.00 -1.26 -4.76 105.19 108.87 1a39 n GLY 184 Ca -0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 1a39 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a39 s LEU 185 N -1.33 1.99 -0.06 0.99 1.43 -0.16 -4.33 118.68 117.21 1a39 s LEU 185 Ca 0.00 -0.42 -0.39 0.00 -1.03 0.00 0.00 54.13 52.29 1a39 s LEU 185 Cb 0.00 -1.14 -0.17 0.00 0.03 0.00 0.00 46.19 44.91 1a39 s LEU 185 CO 0.00 0.20 1.40 0.61 0.23 0.00 0.00 176.35 178.79 1a39 n GLY 186 N 3.02 0.38 2.65 -3.19 0.00 -1.26 -1.23 105.19 105.55 1a39 n GLY 186 Ca -0.18 0.79 -0.41 0.00 0.00 0.00 0.00 46.02 46.22 1a39 n GLY 186 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a39 n ASN 187 N 3.08 6.50 -0.32 1.61 5.15 0.38 -4.74 115.26 126.92 1a39 n ASN 187 Ca 0.22 -3.04 0.20 0.00 -0.60 0.00 0.00 54.58 51.35 1a39 n ASN 187 Cb 0.13 -1.46 0.41 0.00 -0.53 0.00 0.00 39.78 38.34 1a39 n ASN 187 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1a39 h ILE 188 N 3.25 0.31 -0.22 -1.44 1.08 -1.87 0.29 117.51 118.90 1a39 h ILE 188 Ca 0.58 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.95 1a39 h ILE 188 Cb 0.47 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 1a39 h ILE 188 CO 1.61 0.05 0.00 -0.62 -0.69 0.00 0.00 178.15 178.51 1a39 n GLU 189 N -5.10 2.07 -3.32 2.37 1.02 -1.26 -4.89 120.64 111.53 1a39 n GLU 189 Ca 0.28 -1.61 -0.18 0.00 -0.02 0.00 0.00 57.16 55.64 1a39 n GLU 189 Cb 0.88 -1.45 0.07 0.00 -0.02 0.00 0.00 31.44 30.91 1a39 n GLU 189 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a39 n GLY 190 N 1.30 -0.25 3.89 0.62 0.00 0.10 -5.01 105.19 105.84 1a39 n GLY 190 Ca 0.17 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1a39 n GLY 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a39 s LYS 191 N -5.76 2.53 0.19 1.61 1.02 -1.26 -4.93 119.74 113.14 1a39 s LYS 191 Ca 0.32 0.27 0.04 0.00 0.02 0.00 0.00 55.97 56.62 1a39 s LYS 191 Cb -0.14 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1a39 s LYS 191 CO 0.59 -1.20 0.31 0.20 -0.92 0.00 0.00 175.35 174.33 1a39 s GLY 192 N -4.44 1.47 -0.55 -3.33 0.00 -0.27 -4.39 107.32 95.82 1a39 s GLY 192 Ca 0.59 -1.13 -0.17 0.00 0.00 0.00 0.00 44.72 44.01 1a39 s GLY 192 CO 0.50 -1.14 0.54 -0.45 0.00 0.00 0.00 173.10 172.55 1a39 s SER 193 N -3.59 6.19 0.03 1.64 0.15 -0.33 -1.28 113.70 116.51 1a39 s SER 193 Ca 0.34 -1.73 0.03 0.00 0.70 0.00 0.00 55.95 55.30 1a39 s SER 193 Cb -0.10 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1a39 s SER 193 CO 0.29 -0.91 -0.03 0.00 1.20 0.00 0.00 173.24 173.79 1a39 n ASN 196 N 0.55 -0.92 -3.73 0.00 3.02 -1.26 -2.99 115.26 109.93 1a39 n ASN 196 Ca -0.07 0.94 -0.12 0.00 -0.03 0.00 0.00 54.58 55.30 1a39 n ASN 196 Cb 0.58 -1.09 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 1a39 n ASN 196 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1a39 s GLU 197 N -1.48 0.22 -0.38 3.52 2.12 -0.38 -2.10 118.70 120.21 1a39 s GLU 197 Ca 0.63 0.54 -0.04 0.00 0.36 0.00 0.00 54.97 56.45 1a39 s GLU 197 Cb -0.64 -0.11 0.08 0.00 0.26 0.00 0.00 34.13 33.72 1a39 s GLU 197 CO 0.58 -0.16 0.17 1.41 -0.54 0.00 0.00 175.26 176.72 1a39 s MET 198 N 1.26 2.29 -0.95 4.30 -2.45 0.02 -0.48 119.30 123.30 1a39 s MET 198 Ca -0.09 -1.56 -0.23 0.00 -1.25 0.00 0.00 55.69 52.56 1a39 s MET 198 Cb -0.10 -3.54 0.06 0.00 1.25 0.00 0.00 34.83 32.50 1a39 s MET 198 CO -0.09 -0.92 1.35 -0.51 1.05 0.00 0.00 175.02 175.91 1a39 s ASP 199 N 1.75 6.46 0.11 1.11 1.01 0.13 -1.51 116.67 125.73 1a39 s ASP 199 Ca 0.03 -1.40 -0.19 0.00 0.71 0.00 0.00 52.55 51.70 1a39 s ASP 199 Cb -0.22 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.11 1a39 s ASP 199 CO -0.01 -1.47 1.67 0.40 0.21 0.00 0.00 175.17 175.97 1a39 h ILE 200 N 6.49 1.14 -3.17 0.77 2.04 -1.79 -0.13 117.51 122.86 1a39 h ILE 200 Ca 0.10 -0.41 -0.29 0.00 1.00 0.00 0.00 64.86 65.26 1a39 h ILE 200 Cb 1.02 0.99 -0.35 0.00 -0.74 0.00 0.00 36.82 37.74 1a39 h ILE 200 CO 1.34 0.14 -0.65 0.86 0.00 0.00 0.00 178.15 179.84 1a39 s TRP 201 N -5.70 -0.14 -0.25 1.37 -0.11 0.15 -4.55 118.94 109.71 1a39 s TRP 201 Ca -0.13 0.52 -0.02 0.00 1.22 0.00 0.00 56.10 57.68 1a39 s TRP 201 Cb 0.08 -0.25 0.08 0.00 -1.50 0.00 0.00 33.47 31.88 1a39 s TRP 201 CO 0.71 -0.23 0.07 -1.21 -4.62 0.00 0.00 176.95 171.66 1a39 s GLU 202 N 1.98 0.65 0.31 5.86 2.02 -0.86 -1.33 118.70 127.32 1a39 s GLU 202 Ca 0.00 -0.68 -0.19 0.00 0.02 0.00 0.00 54.97 54.12 1a39 s GLU 202 Cb -0.12 -1.97 0.03 0.00 0.10 0.00 0.00 34.13 32.17 1a39 s GLU 202 CO -0.05 -0.81 0.73 0.00 0.02 0.00 0.00 175.26 175.15 1a39 s ALA 203 N 1.79 -1.06 0.00 5.21 0.00 -0.07 -0.76 121.76 126.86 1a39 s ALA 203 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1a39 s ALA 203 Cb -0.17 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1a39 s ALA 203 CO -0.17 -1.02 0.00 0.27 0.00 0.00 0.00 175.76 174.84 1a39 n ASN 204 N -0.72 0.01 -0.02 0.00 0.23 -0.29 -0.99 115.26 113.47 1a39 n ASN 204 Ca -0.05 -0.19 0.15 0.00 -0.53 0.00 0.00 54.58 53.96 1a39 n ASN 204 Cb 0.59 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 39.06 1a39 n ASN 204 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1a39 n SER 205 N -0.56 0.10 -0.02 0.53 3.41 0.03 -3.73 113.62 113.37 1a39 n SER 205 Ca 0.00 -0.38 0.02 0.00 -0.26 0.00 0.00 58.87 58.25 1a39 n SER 205 Cb 0.00 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 63.67 1a39 n SER 205 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a39 n ARG 206 N -1.17 0.95 -3.66 4.33 5.12 -1.26 -3.32 116.66 117.66 1a39 n ARG 206 Ca 0.16 -0.07 -0.14 0.00 -1.93 0.00 0.00 57.85 55.86 1a39 n ARG 206 Cb 0.23 -1.28 -0.08 0.00 -1.16 0.00 0.00 32.46 30.17 1a39 n ARG 206 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a39 s ALA 207 N -2.63 -1.50 -0.10 7.54 0.00 -1.24 -4.66 121.76 119.17 1a39 s ALA 207 Ca -0.05 1.61 0.03 0.00 0.00 0.00 0.00 51.96 53.55 1a39 s ALA 207 Cb 0.06 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1a39 s ALA 207 CO 0.47 -0.30 -0.18 0.45 0.00 0.00 0.00 175.76 176.20 1a39 s SER 208 N 0.08 2.55 -0.00 0.00 0.15 -1.26 -1.13 113.70 114.08 1a39 s SER 208 Ca -0.02 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.22 1a39 s SER 208 Cb -0.04 -1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 63.10 1a39 s SER 208 CO 0.02 0.08 -0.13 -2.28 1.20 0.00 0.00 173.24 172.13 1a39 s HIS 209 N 0.66 1.16 -0.02 3.44 5.04 0.06 -4.38 115.29 121.24 1a39 s HIS 209 Ca -0.13 -0.24 0.05 0.00 -1.54 0.00 0.00 55.06 53.21 1a39 s HIS 209 Cb -0.16 -0.74 -0.01 0.00 0.04 0.00 0.00 32.58 31.71 1a39 s HIS 209 CO 0.03 -0.01 -0.18 0.08 -2.34 0.00 0.00 174.74 172.32 1a39 s VAL 210 N -0.38 1.46 -0.30 0.89 1.01 -0.51 -2.04 120.40 120.53 1a39 s VAL 210 Ca 0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1a39 s VAL 210 Cb -0.05 -1.22 0.14 0.00 0.00 0.00 0.00 36.38 35.25 1a39 s VAL 210 CO -0.00 0.41 0.83 0.00 0.00 0.00 0.00 175.10 176.34 1a39 s ALA 211 N -0.27 -2.36 0.27 5.51 0.00 -0.06 -0.43 121.76 124.43 1a39 s ALA 211 Ca 0.03 2.21 -0.27 0.00 0.00 0.00 0.00 51.96 53.93 1a39 s ALA 211 Cb -0.09 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 21.06 1a39 s ALA 211 CO 0.00 -0.88 0.91 -1.25 0.00 0.00 0.00 175.76 174.55 1a39 s PRO 212 N 2.53 4.67 -0.16 0.00 0.04 -1.26 0.18 135.00 141.00 1a39 s PRO 212 Ca -0.05 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.32 1a39 s PRO 212 Cb -0.08 -3.04 0.05 0.00 0.04 0.00 0.00 34.50 31.47 1a39 s PRO 212 CO -0.18 0.41 0.02 -1.01 0.04 0.00 0.00 177.00 176.28 1a39 s HIS 213 N -1.40 0.98 0.35 0.56 3.76 0.37 -1.92 115.29 118.00 1a39 s HIS 213 Ca 0.45 -0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 54.58 1a39 s HIS 213 Cb -0.22 -0.99 -0.05 0.00 1.11 0.00 0.00 32.58 32.43 1a39 s HIS 213 CO 0.27 -0.55 0.65 0.95 -0.85 0.00 0.00 174.74 175.22 1a39 s THR 214 N 1.87 4.93 0.09 1.30 -4.23 -1.26 -1.25 115.64 117.09 1a39 s THR 214 Ca 0.01 0.23 0.05 0.00 -1.18 0.00 0.00 61.69 60.80 1a39 s THR 214 Cb -0.16 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 1a39 s THR 214 CO -0.07 -0.46 -0.13 0.00 -0.54 0.00 0.00 174.62 173.42 1a39 n ASN 216 N 0.97 3.35 -4.09 0.00 6.94 0.40 -4.78 115.26 118.04 1a39 n ASN 216 Ca -0.19 -2.65 -0.18 0.00 -0.02 0.00 0.00 54.58 51.55 1a39 n ASN 216 Cb 0.56 -0.63 -0.13 0.00 -2.36 0.00 0.00 39.78 37.21 1a39 n ASN 216 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1a39 s LYS 217 N -1.71 0.76 0.07 -3.83 -0.14 -1.26 -5.09 119.74 108.54 1a39 s LYS 217 Ca 0.27 -0.65 -0.16 0.00 -1.36 0.00 0.00 55.97 54.07 1a39 s LYS 217 Cb 0.22 -0.72 -0.06 0.00 -1.68 0.00 0.00 37.83 35.59 1a39 s LYS 217 CO 0.06 0.17 0.50 0.15 -0.76 0.00 0.00 175.35 175.48 1a39 s LYS 218 N -1.03 4.02 1.28 1.68 1.02 -1.26 -4.63 119.74 120.83 1a39 s LYS 218 Ca -0.01 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.52 1a39 s LYS 218 Cb -0.07 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1a39 s LYS 218 CO 0.01 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.46 1a39 n GLY 219 N 1.49 -1.60 3.72 -3.33 0.00 -1.26 -4.74 105.19 99.47 1a39 n GLY 219 Ca -0.10 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1a39 n GLY 219 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a39 s LEU 220 N 0.00 4.37 -0.15 0.99 0.20 -1.21 -4.55 118.68 118.33 1a39 s LEU 220 Ca 0.00 2.61 0.02 0.00 0.69 0.00 0.00 54.13 57.44 1a39 s LEU 220 Cb 0.00 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 42.18 1a39 s LEU 220 CO 0.00 -0.83 -0.21 -0.47 -0.29 0.00 0.00 176.35 174.55 1a39 s TYR 221 N 1.25 2.66 -0.41 5.38 5.04 0.15 -4.96 117.35 126.46 1a39 s TYR 221 Ca 0.70 -1.43 -0.23 0.00 -2.44 0.00 0.00 57.07 53.68 1a39 s TYR 221 Cb -0.43 -1.82 0.02 0.00 0.35 0.00 0.00 41.96 40.07 1a39 s TYR 221 CO 0.31 -0.67 0.76 -0.51 -1.34 0.00 0.00 175.55 174.10 1a39 s LEU 222 N 1.00 4.23 0.28 6.97 1.02 -1.26 -1.32 118.68 129.60 1a39 s LEU 222 Ca -0.03 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.17 1a39 s LEU 222 Cb -0.15 -2.94 -0.03 0.00 0.02 0.00 0.00 46.19 43.09 1a39 s LEU 222 CO -0.06 -0.82 0.45 0.00 0.02 0.00 0.00 176.35 175.94 1a39 s GLU 224 N -3.95 0.56 5.56 0.00 -1.05 -1.26 -1.11 118.70 117.46 1a39 s GLU 224 Ca 0.38 -0.87 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 1a39 s GLU 224 Cb -0.10 -0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.40 1a39 s GLU 224 CO 0.32 0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.95 1a39 n GLY 225 N 1.12 3.22 0.13 -3.83 0.00 -1.26 -1.81 105.19 102.76 1a39 n GLY 225 Ca -0.20 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1a39 n GLY 225 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a39 n GLU 226 N 14.00 0.14 0.23 1.61 -0.58 -1.26 -2.00 120.64 132.78 1a39 n GLU 226 Ca 0.00 0.51 0.08 0.00 -0.42 0.00 0.00 57.16 57.33 1a39 n GLU 226 Cb 0.00 -1.86 0.55 0.00 -0.57 0.00 0.00 31.44 29.56 1a39 n GLU 226 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1a39 h GLU 227 N 0.00 0.00 0.00 3.49 5.08 -1.73 -2.59 114.58 118.84 1a39 h GLU 227 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a39 h GLU 227 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1a39 h GLU 227 CO 0.00 0.22 -0.47 0.00 -1.00 0.00 0.00 179.01 177.76 1a39 s ALA 229 N -3.18 3.33 0.28 0.00 0.00 -0.98 -4.77 121.76 116.45 1a39 s ALA 229 Ca 0.07 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.46 1a39 s ALA 229 Cb 0.12 -2.21 0.67 0.00 0.00 0.00 0.00 23.12 21.69 1a39 s ALA 229 CO 0.70 -1.69 1.66 0.35 0.00 0.00 0.00 175.76 176.78 1a39 h PHE 230 N -0.80 0.36 -0.14 0.00 3.04 -1.91 0.55 116.94 118.05 1a39 h PHE 230 Ca -0.39 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.61 1a39 h PHE 230 Cb 1.26 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.75 1a39 h PHE 230 CO -0.41 -0.17 0.00 0.39 -2.02 0.00 0.00 178.31 176.10 1a39 n GLU 231 N -5.20 1.63 0.00 1.11 -0.58 -1.26 -4.80 120.64 111.54 1a39 n GLU 231 Ca 0.20 -0.65 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 1a39 n GLU 231 Cb 0.64 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1a39 n GLU 231 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a39 n GLY 232 N 0.43 1.09 0.10 0.62 0.00 0.19 -4.96 105.19 102.67 1a39 n GLY 232 Ca 0.06 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.64 1a39 n GLY 232 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a39 n VAL 233 N 0.00 0.69 -4.30 1.61 0.24 -0.83 -4.82 118.33 110.93 1a39 n VAL 233 Ca 0.00 0.03 -0.19 0.00 -2.04 0.00 0.00 64.34 62.13 1a39 n VAL 233 Cb 0.00 -0.89 -0.13 0.00 -1.47 0.00 0.00 33.84 31.35 1a39 n VAL 233 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a39 s ASP 235 N -1.27 6.50 0.22 0.00 2.15 -0.39 -4.89 116.67 119.00 1a39 s ASP 235 Ca 0.00 -1.68 -0.08 0.00 0.43 0.00 0.00 52.55 51.22 1a39 s ASP 235 Cb -0.08 -2.44 0.19 0.00 -0.30 0.00 0.00 42.92 40.28 1a39 s ASP 235 CO 0.01 -1.24 1.86 0.11 -0.17 0.00 0.00 175.17 175.74 1a39 h LYS 236 N 9.20 1.16 -0.05 4.34 1.57 -1.87 -3.27 116.57 127.63 1a39 h LYS 236 Ca 0.06 -0.11 -0.25 0.00 -1.87 0.00 0.00 60.65 58.48 1a39 h LYS 236 Cb 1.03 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1a39 h LYS 236 CO 1.19 0.82 -0.94 -0.91 -0.57 0.00 0.00 179.45 179.04 1a39 h ASN 237 N 1.16 0.87 -3.98 0.86 2.35 -1.92 -3.47 115.58 111.45 1a39 h ASN 237 Ca 0.30 -0.65 0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1a39 h ASN 237 Cb -0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1a39 h ASN 237 CO -0.05 1.45 -0.04 0.61 -1.65 0.00 0.00 177.43 177.74 1a39 n GLY 238 N 0.93 -2.19 3.38 2.83 0.00 -1.23 -4.62 105.19 104.28 1a39 n GLY 238 Ca -0.09 -1.47 -0.45 0.00 0.00 0.00 0.00 46.02 44.01 1a39 n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a39 s GLY 240 N 3.10 2.87 -0.22 0.00 0.00 -1.26 -4.12 107.32 107.69 1a39 s GLY 240 Ca 0.20 1.14 -0.03 0.00 0.00 0.00 0.00 44.72 46.04 1a39 s GLY 240 CO -0.04 1.67 0.08 0.86 0.00 0.00 0.00 173.10 175.66 1a39 s TRP 241 N -1.37 0.75 -0.03 1.90 -0.11 0.43 -4.99 118.94 115.52 1a39 s TRP 241 Ca 0.62 -0.82 -0.01 0.00 1.22 0.00 0.00 56.10 57.12 1a39 s TRP 241 Cb -0.35 -0.99 0.03 0.00 -1.50 0.00 0.00 33.47 30.65 1a39 s TRP 241 CO 0.44 -0.65 0.04 1.21 -4.62 0.00 0.00 176.95 173.36 1a39 s ASN 242 N 1.95 0.61 0.30 5.86 3.84 -1.26 -1.43 114.94 124.81 1a39 s ASN 242 Ca 0.03 0.04 0.06 0.00 0.21 0.00 0.00 52.86 53.20 1a39 s ASN 242 Cb -0.17 -0.14 0.77 0.00 -0.55 0.00 0.00 41.25 41.16 1a39 s ASN 242 CO -0.16 -0.18 1.73 -0.55 -2.79 0.00 0.00 177.10 175.16 1a39 h ASN 243 N 7.80 0.55 -0.79 -4.21 -1.07 -1.85 -1.44 115.58 114.56 1a39 h ASN 243 Ca -0.31 0.13 -0.02 0.00 0.07 0.00 0.00 56.30 56.17 1a39 h ASN 243 Cb 1.12 0.06 -0.04 0.00 -2.07 0.00 0.00 38.32 37.39 1a39 h ASN 243 CO 0.34 0.10 0.40 1.88 0.07 0.00 0.00 177.43 180.22 1a39 h TYR 244 N 0.55 1.13 0.00 4.14 0.05 -1.82 -1.64 116.97 119.37 1a39 h TYR 244 Ca 0.58 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.32 1a39 h TYR 244 Cb 1.05 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1a39 h TYR 244 CO -0.06 0.81 0.00 0.00 -1.05 0.00 0.00 178.16 177.85 1a39 h ARG 245 N 1.13 0.00 -0.31 4.88 3.08 -0.83 -2.07 114.38 120.26 1a39 h ARG 245 Ca 0.28 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.24 1a39 h ARG 245 Cb 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1a39 h ARG 245 CO -0.04 0.00 -0.01 1.33 -1.07 0.00 0.00 179.97 180.18 1a39 n VAL 246 N -2.41 2.41 -3.30 2.04 0.24 -0.67 -4.98 118.33 111.66 1a39 n VAL 246 Ca 0.02 -2.26 -0.17 0.00 -2.04 0.00 0.00 64.34 59.89 1a39 n VAL 246 Cb 0.25 -0.29 0.06 0.00 -1.47 0.00 0.00 33.84 32.39 1a39 n VAL 246 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1a39 n ASN 247 N -0.83 -4.92 -3.84 -1.34 5.15 -0.78 -0.85 115.26 107.85 1a39 n ASN 247 Ca 0.27 -0.41 -0.30 0.00 -0.60 0.00 0.00 54.58 53.54 1a39 n ASN 247 Cb 0.97 -3.91 -0.15 0.00 -0.53 0.00 0.00 39.78 36.15 1a39 n ASN 247 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1a39 s VAL 248 N -3.24 1.49 -1.04 3.44 1.01 -0.87 -4.66 120.40 116.52 1a39 s VAL 248 Ca 0.39 -1.90 0.22 0.00 0.00 0.00 0.00 61.98 60.70 1a39 s VAL 248 Cb -0.17 -2.11 -0.14 0.00 0.00 0.00 0.00 36.38 33.96 1a39 s VAL 248 CO 0.55 -0.67 1.08 0.35 0.00 0.00 0.00 175.10 176.41 1a39 n THR 249 N 4.47 0.00 -1.17 3.92 -2.24 -1.26 -3.43 114.28 114.58 1a39 n THR 249 Ca 0.01 -0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1a39 n THR 249 Cb 0.41 0.76 0.24 0.00 -2.10 0.00 0.00 70.33 69.64 1a39 n THR 249 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a39 n ASP 250 N -1.45 3.56 0.04 3.42 5.75 -1.26 -4.66 116.55 121.95 1a39 n ASP 250 Ca 0.05 -3.33 -0.18 0.00 -0.01 0.00 0.00 54.79 51.32 1a39 n ASP 250 Cb 0.34 -0.62 -0.14 0.00 -1.03 0.00 0.00 41.12 39.66 1a39 n ASP 250 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1a39 h TYR 251 N 1.64 0.46 -2.79 2.11 3.20 -1.88 -2.42 116.97 117.29 1a39 h TYR 251 Ca 0.14 -0.34 -0.19 0.00 3.14 0.00 0.00 58.73 61.49 1a39 h TYR 251 Cb 1.72 -0.02 -0.31 0.00 1.54 0.00 0.00 36.73 39.66 1a39 h TYR 251 CO 0.84 1.50 -0.50 -0.47 -1.64 0.00 0.00 178.16 177.90 1a39 s TYR 252 N -2.59 -0.50 0.00 -3.82 6.14 -1.26 -1.18 117.35 114.13 1a39 s TYR 252 Ca -0.13 1.09 0.00 0.00 0.64 0.00 0.00 57.07 58.67 1a39 s TYR 252 Cb 0.07 0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.48 1a39 s TYR 252 CO 0.83 -0.38 0.00 0.41 0.64 0.00 0.00 175.55 177.05 1a39 n GLY 253 N 5.36 -0.70 3.57 8.97 0.00 -0.94 -4.68 105.19 116.78 1a39 n GLY 253 Ca -0.07 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1a39 n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a39 s ARG 254 N -2.00 3.56 0.00 1.61 0.52 -1.21 -1.34 118.95 120.09 1a39 s ARG 254 Ca 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1a39 s ARG 254 Cb 0.00 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.51 1a39 s ARG 254 CO 0.00 -1.41 0.00 0.41 0.02 0.00 0.00 175.30 174.32 1a39 n GLY 255 N 4.96 3.96 0.22 -3.53 0.00 -1.26 -4.92 105.19 104.62 1a39 n GLY 255 Ca 0.08 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.70 1a39 n GLY 255 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a39 h GLU 256 N 0.00 0.00 0.00 1.61 4.39 -1.98 -2.92 114.58 115.68 1a39 h GLU 256 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a39 h GLU 256 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1a39 h GLU 256 CO 0.00 0.25 0.00 -0.85 -1.16 0.00 0.00 179.01 177.25 1a39 n GLU 257 N -3.59 0.57 -4.28 2.33 0.00 -1.26 -4.72 120.64 109.69 1a39 n GLU 257 Ca -0.01 0.03 -0.33 0.00 0.00 0.00 0.00 57.16 56.85 1a39 n GLU 257 Cb 0.39 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.24 1a39 n GLU 257 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1a39 s PHE 258 N -2.24 3.15 0.34 -1.84 0.40 -1.10 -4.82 117.98 111.86 1a39 s PHE 258 Ca 0.30 0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.79 1a39 s PHE 258 Cb 0.16 -1.72 0.61 0.00 0.51 0.00 0.00 43.02 42.58 1a39 s PHE 258 CO 0.30 0.48 1.98 0.87 0.70 0.00 0.00 175.22 179.56 1a39 h LYS 259 N 4.58 0.81 -4.65 0.44 1.79 -1.16 -3.35 116.57 115.03 1a39 h LYS 259 Ca -0.50 -0.07 -0.69 0.00 -2.18 0.00 0.00 60.65 57.21 1a39 h LYS 259 Cb 1.18 -0.17 -0.32 0.00 -1.58 0.00 0.00 32.23 31.34 1a39 h LYS 259 CO 0.57 0.57 -0.62 0.08 -1.08 0.00 0.00 179.45 178.97 1a39 s VAL 260 N -5.61 3.32 -0.39 0.50 1.01 -0.33 -5.01 120.40 113.89 1a39 s VAL 260 Ca -0.10 -1.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.18 1a39 s VAL 260 Cb 0.17 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1a39 s VAL 260 CO 0.77 -0.31 0.51 0.21 0.00 0.00 0.00 175.10 176.28 1a39 s ASN 261 N 1.50 6.27 0.00 3.32 2.47 -1.26 -2.22 114.94 125.03 1a39 s ASN 261 Ca -0.00 -0.32 0.11 0.00 0.42 0.00 0.00 52.86 53.07 1a39 s ASN 261 Cb -0.21 -2.26 0.55 0.00 -1.45 0.00 0.00 41.25 37.88 1a39 s ASN 261 CO -0.01 -0.58 1.37 0.35 -3.72 0.00 0.00 177.10 174.51 1a39 n THR 262 N 5.53 0.08 0.45 -5.21 -2.24 -0.45 -2.69 114.28 109.75 1a39 n THR 262 Ca -0.05 -0.10 0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1a39 n THR 262 Cb 0.48 -0.03 0.30 0.00 -2.10 0.00 0.00 70.33 68.98 1a39 n THR 262 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1a39 h LEU 263 N 0.53 0.00 -8.76 3.22 4.07 -1.91 -3.29 115.31 109.16 1a39 h LEU 263 Ca 0.00 -0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.56 1a39 h LEU 263 Cb 0.12 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.71 1a39 h LEU 263 CO 0.00 0.00 -0.73 -0.54 -1.08 0.00 0.00 178.44 176.09 1a39 s LYS 264 N -3.15 1.18 0.72 1.13 1.02 -1.09 -4.89 119.74 114.66 1a39 s LYS 264 Ca 0.09 -1.48 -0.13 0.00 0.02 0.00 0.00 55.97 54.47 1a39 s LYS 264 Cb 0.09 -0.90 0.03 0.00 -0.52 0.00 0.00 37.83 36.53 1a39 s LYS 264 CO 0.63 0.14 1.11 -2.14 -0.92 0.00 0.00 175.35 174.17 1a39 s PRO 265 N -3.53 2.47 0.17 -1.68 0.02 -1.26 -4.81 135.00 126.39 1a39 s PRO 265 Ca 0.18 1.33 -0.23 0.00 0.02 0.00 0.00 61.00 62.30 1a39 s PRO 265 Cb -0.00 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.67 1a39 s PRO 265 CO 0.04 -1.50 0.62 -0.59 -0.33 0.00 0.00 177.00 175.24 1a39 s PHE 266 N -2.56 -0.50 -0.13 6.54 -0.12 -0.97 -4.78 117.98 115.47 1a39 s PHE 266 Ca 0.65 0.26 -0.07 0.00 -0.05 0.00 0.00 56.93 57.72 1a39 s PHE 266 Cb -0.20 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1a39 s PHE 266 CO 0.48 -0.89 0.13 0.99 -0.05 0.00 0.00 175.22 175.88 1a39 s THR 267 N -3.76 5.39 -0.23 -4.49 2.01 -0.02 -0.99 115.64 113.55 1a39 s THR 267 Ca 0.02 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1a39 s THR 267 Cb -0.02 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 69.18 1a39 s THR 267 CO -0.11 0.60 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.60 1a39 s VAL 268 N -0.87 2.21 -0.11 3.82 1.01 0.33 -1.74 120.40 125.04 1a39 s VAL 268 Ca 0.14 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1a39 s VAL 268 Cb -0.12 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1a39 s VAL 268 CO 0.03 0.21 -0.09 -0.69 0.00 0.00 0.00 175.10 174.56 1a39 s VAL 269 N 1.20 3.50 -0.12 2.92 1.01 -0.11 -2.31 120.40 126.49 1a39 s VAL 269 Ca -0.03 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1a39 s VAL 269 Cb -0.17 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1a39 s VAL 269 CO -0.08 0.54 0.01 -0.89 0.00 0.00 0.00 175.10 174.68 1a39 s THR 270 N -0.10 0.50 -0.17 3.92 2.01 -0.28 -1.80 115.64 119.72 1a39 s THR 270 Ca 0.00 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 1a39 s THR 270 Cb -0.13 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1a39 s THR 270 CO 0.03 0.10 -0.02 -1.10 -0.69 0.00 0.00 174.62 172.94 1a39 s GLN 271 N 1.90 3.70 -0.81 4.92 -0.21 -0.68 -0.53 119.66 127.95 1a39 s GLN 271 Ca 0.03 -0.50 -0.09 0.00 0.02 0.00 0.00 55.36 54.82 1a39 s GLN 271 Cb -0.14 -2.99 0.21 0.00 1.00 0.00 0.00 33.01 31.09 1a39 s GLN 271 CO -0.07 0.20 0.71 -0.06 -2.12 0.00 0.00 175.29 173.95 1a39 s PHE 272 N 0.50 3.73 0.00 0.91 0.40 -0.72 -1.37 117.98 121.44 1a39 s PHE 272 Ca -0.02 -2.42 -0.28 0.00 -0.60 0.00 0.00 56.93 53.61 1a39 s PHE 272 Cb -0.14 -3.57 -0.04 0.00 0.51 0.00 0.00 43.02 39.79 1a39 s PHE 272 CO 0.02 -0.91 0.89 -0.51 0.70 0.00 0.00 175.22 175.42 1a39 s LEU 273 N -0.26 4.38 0.31 -0.37 1.43 0.82 0.55 118.68 125.54 1a39 s LEU 273 Ca 0.20 1.55 0.09 0.00 -1.03 0.00 0.00 54.13 54.95 1a39 s LEU 273 Cb -0.13 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 1a39 s LEU 273 CO -0.08 -0.17 -0.01 0.00 0.23 0.00 0.00 176.35 176.33 1a39 s ALA 274 N 0.72 3.17 1.00 4.21 0.00 -1.26 -0.79 121.76 128.80 1a39 s ALA 274 Ca 0.47 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1a39 s ALA 274 Cb -0.20 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1a39 s ALA 274 CO 0.25 0.15 0.00 0.27 0.00 0.00 0.00 175.76 176.43 1a39 n ASN 275 N -0.92 -0.43 0.03 0.00 0.23 -1.04 -4.84 115.26 108.29 1a39 n ASN 275 Ca -0.05 -0.68 0.12 0.00 -0.53 0.00 0.00 54.58 53.45 1a39 n ASN 275 Cb 0.61 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.59 1a39 n ASN 275 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1a39 n ARG 276 N -1.11 0.12 -0.03 -3.83 1.74 -1.26 -1.59 116.66 110.70 1a39 n ARG 276 Ca 0.00 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1a39 n ARG 276 Cb 0.00 -1.58 0.50 0.00 -1.02 0.00 0.00 32.46 30.36 1a39 n ARG 276 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1a39 n ARG 277 N -1.76 1.33 -0.87 5.56 1.74 -1.26 -4.97 116.66 116.44 1a39 n ARG 277 Ca 0.05 -0.50 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 1a39 n ARG 277 Cb 0.38 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1a39 n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a39 n GLY 278 N 0.96 0.52 3.84 -0.13 0.00 -0.62 -5.05 105.19 104.72 1a39 n GLY 278 Ca 0.16 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1a39 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a39 s LYS 279 N -0.74 3.59 0.08 1.61 -0.14 -1.26 -4.88 119.74 117.99 1a39 s LYS 279 Ca 0.00 -0.16 -0.31 0.00 -1.36 0.00 0.00 55.97 54.14 1a39 s LYS 279 Cb 0.00 -3.23 -0.09 0.00 -1.68 0.00 0.00 37.83 32.83 1a39 s LYS 279 CO 0.00 0.67 1.69 -1.17 -0.76 0.00 0.00 175.35 175.79 1a39 s LEU 280 N -0.73 4.37 -0.14 3.17 2.96 -1.26 -2.48 118.68 124.58 1a39 s LEU 280 Ca 0.13 2.55 -0.04 0.00 -0.22 0.00 0.00 54.13 56.55 1a39 s LEU 280 Cb -0.12 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1a39 s LEU 280 CO 0.03 -0.91 -0.15 -0.62 -1.32 0.00 0.00 176.35 173.37 1a39 n GLU 281 N 5.60 0.31 -4.36 1.98 1.02 0.03 -3.66 120.64 121.56 1a39 n GLU 281 Ca 0.16 0.11 -0.19 0.00 -0.02 0.00 0.00 57.16 57.22 1a39 n GLU 281 Cb 0.40 -1.10 -0.14 0.00 -0.02 0.00 0.00 31.44 30.58 1a39 n GLU 281 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1a39 s LYS 282 N -2.26 0.81 -0.21 3.49 1.02 -0.87 -4.48 119.74 117.24 1a39 s LYS 282 Ca -0.19 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 1a39 s LYS 282 Cb 0.06 -0.77 -0.01 0.00 -0.52 0.00 0.00 37.83 36.59 1a39 s LYS 282 CO 0.27 0.20 -0.05 0.42 -0.92 0.00 0.00 175.35 175.27 1a39 s ILE 283 N -0.53 3.39 -0.22 2.17 1.01 -0.57 -0.13 121.20 126.31 1a39 s ILE 283 Ca 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1a39 s ILE 283 Cb -0.06 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.90 1a39 s ILE 283 CO 0.00 0.43 -0.11 -2.28 0.00 0.00 0.00 174.94 172.99 1a39 s HIS 284 N 1.38 2.97 -0.16 3.97 2.46 -0.47 -1.14 115.29 124.28 1a39 s HIS 284 Ca 0.05 -1.52 -0.06 0.00 0.47 0.00 0.00 55.06 54.00 1a39 s HIS 284 Cb -0.14 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.26 1a39 s HIS 284 CO -0.03 -0.73 0.04 0.50 -2.47 0.00 0.00 174.74 172.05 1a39 s ARG 285 N 1.33 3.78 0.20 2.88 6.06 -1.26 -1.69 118.95 130.25 1a39 s ARG 285 Ca 0.02 -0.37 -0.09 0.00 -2.50 0.00 0.00 55.73 52.79 1a39 s ARG 285 Cb -0.15 -3.11 -0.01 0.00 0.06 0.00 0.00 34.95 31.74 1a39 s ARG 285 CO -0.07 0.34 0.32 -0.59 -2.50 0.00 0.00 175.30 172.81 1a39 s PHE 286 N 0.15 0.51 0.21 5.12 -0.71 -0.74 -3.92 117.98 118.59 1a39 s PHE 286 Ca 0.03 -0.85 0.07 0.00 -1.04 0.00 0.00 56.93 55.14 1a39 s PHE 286 Cb -0.13 -0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.58 1a39 s PHE 286 CO 0.01 -0.80 -0.12 0.71 -1.34 0.00 0.00 175.22 173.68 1a39 s TYR 287 N -4.02 1.67 -0.07 3.49 1.51 -0.47 -0.93 117.35 118.54 1a39 s TYR 287 Ca 0.23 -0.62 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1a39 s TYR 287 Cb 0.03 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1a39 s TYR 287 CO 0.05 0.30 -0.04 0.08 -1.11 0.00 0.00 175.55 174.83 1a39 s VAL 288 N -3.04 0.62 -0.14 0.71 1.01 -0.71 0.20 120.40 119.05 1a39 s VAL 288 Ca 0.23 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 1a39 s VAL 288 Cb 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1a39 s VAL 288 CO 0.07 0.28 0.35 -1.58 0.00 0.00 0.00 175.10 174.22 1a39 s GLN 289 N 1.45 0.35 -1.43 2.72 0.74 -0.62 -0.84 119.66 122.04 1a39 s GLN 289 Ca -0.02 0.65 -0.07 0.00 0.05 0.00 0.00 55.36 55.97 1a39 s GLN 289 Cb -0.13 -0.00 0.04 0.00 1.10 0.00 0.00 33.01 34.02 1a39 s GLN 289 CO -0.03 -0.14 0.86 -0.25 -0.55 0.00 0.00 175.29 175.18 1a39 n ASP 290 N 3.95 -3.19 0.00 6.67 8.00 -1.26 -1.66 116.55 129.07 1a39 n ASP 290 Ca -0.22 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1a39 n ASP 290 Cb 0.55 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.67 1a39 n ASP 290 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a39 n GLY 291 N -1.66 2.32 3.29 0.44 0.00 -1.26 -4.96 105.19 103.36 1a39 n GLY 291 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1a39 n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a39 s LYS 292 N -0.01 2.76 -0.01 1.61 1.02 -0.66 0.52 119.74 124.97 1a39 s LYS 292 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 1a39 s LYS 292 Cb 0.00 -2.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1a39 s LYS 292 CO 0.00 0.34 1.39 0.08 -0.92 0.00 0.00 175.35 176.24 1a39 s VAL 293 N -0.05 3.75 -0.41 3.17 1.01 -1.26 -1.58 120.40 125.02 1a39 s VAL 293 Ca -0.06 1.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 1a39 s VAL 293 Cb -0.15 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.58 1a39 s VAL 293 CO 0.05 -0.00 0.25 -0.63 0.00 0.00 0.00 175.10 174.76 1a39 s ILE 294 N 2.42 4.33 0.80 2.22 1.01 0.54 -4.96 121.20 127.57 1a39 s ILE 294 Ca 0.63 -1.27 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1a39 s ILE 294 Cb -0.31 -3.60 0.07 0.00 0.01 0.00 0.00 42.46 38.64 1a39 s ILE 294 CO 0.26 -0.45 1.09 -1.61 0.00 0.00 0.00 174.94 174.23 1a39 s GLU 295 N 1.46 2.02 0.60 2.79 0.41 -1.26 -1.37 118.70 123.36 1a39 s GLU 295 Ca 0.03 1.12 -0.19 0.00 -0.41 0.00 0.00 54.97 55.52 1a39 s GLU 295 Cb -0.22 -1.87 -0.03 0.00 -1.78 0.00 0.00 34.13 30.22 1a39 s GLU 295 CO 0.03 -1.79 1.20 0.45 -0.49 0.00 0.00 175.26 174.67 1a39 s SER 296 N -3.37 5.15 1.04 -0.19 0.15 -1.25 -4.82 113.70 110.40 1a39 s SER 296 Ca 0.62 2.38 -0.12 0.00 0.70 0.00 0.00 55.95 59.52 1a39 s SER 296 Cb -0.17 -2.60 0.21 0.00 -1.71 0.00 0.00 66.02 61.75 1a39 s SER 296 CO 0.56 -1.62 1.07 0.72 1.20 0.00 0.00 173.24 175.18 1a39 s PHE 297 N -1.63 1.85 0.01 3.44 -0.71 -1.26 -4.98 117.98 114.70 1a39 s PHE 297 Ca 0.77 1.11 0.03 0.00 -1.04 0.00 0.00 56.93 57.79 1a39 s PHE 297 Cb -0.30 -3.20 -0.03 0.00 -1.21 0.00 0.00 43.02 38.28 1a39 s PHE 297 CO 0.34 -3.18 -0.04 0.71 -1.34 0.00 0.00 175.22 171.71 1a39 s TYR 298 N -2.78 2.96 0.44 3.49 1.51 -1.26 -4.48 117.35 117.23 1a39 s TYR 298 Ca 0.66 0.01 -0.25 0.00 -1.01 0.00 0.00 57.07 56.48 1a39 s TYR 298 Cb -0.21 -1.63 -0.09 0.00 -0.11 0.00 0.00 41.96 39.93 1a39 s TYR 298 CO 0.60 0.41 1.32 0.25 -1.11 0.00 0.00 175.55 177.02 1a39 n THR 299 N 1.44 2.73 -2.74 -0.71 -2.24 -0.49 -4.91 114.28 107.36 1a39 n THR 299 Ca -0.15 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1a39 n THR 299 Cb 0.53 -1.65 0.02 0.00 -2.10 0.00 0.00 70.33 67.12 1a39 n THR 299 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1a39 n ASN 300 N -0.01 1.57 -3.78 3.42 5.15 -0.03 -4.67 115.26 116.91 1a39 n ASN 300 Ca 0.07 -2.83 -0.17 0.00 -0.60 0.00 0.00 54.58 51.05 1a39 n ASN 300 Cb 0.41 -0.54 -0.16 0.00 -0.53 0.00 0.00 39.78 38.95 1a39 n ASN 300 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1a39 s LYS 301 N -3.04 0.17 0.02 1.20 2.20 -1.24 -4.54 119.74 114.50 1a39 s LYS 301 Ca 0.31 0.15 -0.36 0.00 -0.36 0.00 0.00 55.97 55.71 1a39 s LYS 301 Cb 0.44 -0.44 -0.15 0.00 -1.51 0.00 0.00 37.83 36.17 1a39 s LYS 301 CO 0.01 -0.18 1.60 -1.91 -0.36 0.00 0.00 175.35 174.50 1a39 n GLU 302 N 4.35 1.69 -0.22 4.03 4.07 -1.26 -0.80 120.64 132.50 1a39 n GLU 302 Ca -0.23 0.61 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 1a39 n GLU 302 Cb 0.50 -2.35 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 1a39 n GLU 302 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a39 n GLY 303 N 3.48 1.27 3.40 8.31 0.00 -1.26 -5.02 105.19 115.37 1a39 n GLY 303 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1a39 n GLY 303 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a39 s VAL 304 N -2.76 3.80 0.29 1.61 1.01 0.02 -4.89 120.40 119.48 1a39 s VAL 304 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1a39 s VAL 304 Cb 0.00 -2.73 -0.12 0.00 0.00 0.00 0.00 36.38 33.53 1a39 s VAL 304 CO 0.00 0.42 1.51 -0.81 0.00 0.00 0.00 175.10 176.21 1a39 n PRO 305 N 4.47 2.45 -2.15 2.72 -0.04 -1.26 -4.63 135.00 136.56 1a39 n PRO 305 Ca -0.17 0.87 -0.43 0.00 -0.04 0.00 0.00 63.50 63.73 1a39 n PRO 305 Cb 0.51 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 1a39 n PRO 305 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1a39 s TYR 306 N -0.17 2.17 0.11 0.54 5.04 -1.26 -4.80 117.35 118.97 1a39 s TYR 306 Ca 0.64 0.57 -0.17 0.00 -2.44 0.00 0.00 57.07 55.68 1a39 s TYR 306 Cb -0.55 -3.97 0.04 0.00 0.35 0.00 0.00 41.96 37.83 1a39 s TYR 306 CO 0.51 -2.82 0.41 -0.08 -1.34 0.00 0.00 175.55 172.23 1a39 s THR 307 N 5.06 0.06 -0.28 4.34 -1.32 -1.26 -4.98 115.64 117.27 1a39 s THR 307 Ca 0.70 -0.53 0.07 0.00 -1.21 0.00 0.00 61.69 60.71 1a39 s THR 307 Cb -0.24 -1.13 0.16 0.00 -1.51 0.00 0.00 72.50 69.78 1a39 s THR 307 CO 0.28 -0.29 1.12 -0.46 -2.21 0.00 0.00 174.62 173.06 1a39 n ASN 308 N -0.11 2.44 -4.06 8.08 6.94 -1.26 -1.40 115.26 125.89 1a39 n ASN 308 Ca -0.16 -2.22 -0.07 0.00 -0.02 0.00 0.00 54.58 52.10 1a39 n ASN 308 Cb 0.63 -0.16 -0.10 0.00 -2.36 0.00 0.00 39.78 37.79 1a39 n ASN 308 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1a39 s MET 309 N -1.39 0.63 0.03 -3.83 -1.94 -1.26 -4.72 119.30 106.82 1a39 s MET 309 Ca 0.14 -1.17 -0.30 0.00 -1.71 0.00 0.00 55.69 52.65 1a39 s MET 309 Cb 0.10 0.22 -0.04 0.00 2.01 0.00 0.00 34.83 37.12 1a39 s MET 309 CO 0.05 -0.13 1.01 0.42 -0.01 0.00 0.00 175.02 176.37 1a39 s ILE 310 N -3.83 4.67 0.37 2.53 1.01 -0.29 -4.91 121.20 120.75 1a39 s ILE 310 Ca 0.06 1.96 -0.08 0.00 0.00 0.00 0.00 60.65 62.59 1a39 s ILE 310 Cb 0.07 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.31 1a39 s ILE 310 CO -0.10 0.18 0.62 1.51 0.00 0.00 0.00 174.94 177.15 1a39 s ASP 311 N 0.86 0.56 0.10 3.58 1.47 -1.26 -1.51 116.67 120.46 1a39 s ASP 311 Ca 0.52 -1.36 -0.25 0.00 1.18 0.00 0.00 52.55 52.64 1a39 s ASP 311 Cb -0.23 0.76 -0.11 0.00 -0.34 0.00 0.00 42.92 43.01 1a39 s ASP 311 CO 0.29 -1.50 1.68 0.44 0.68 0.00 0.00 175.17 176.76 1a39 h ASP 312 N 2.05 -0.41 -0.52 2.11 3.32 -1.96 -0.66 116.42 120.35 1a39 h ASP 312 Ca -0.30 0.05 0.08 0.00 0.02 0.00 0.00 57.03 56.88 1a39 h ASP 312 Cb 1.24 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.88 1a39 h ASP 312 CO 0.40 -0.22 0.14 -0.08 -1.72 0.00 0.00 179.24 177.76 1a39 h GLU 313 N -0.30 0.28 0.03 3.56 4.81 -1.97 -0.71 114.58 120.27 1a39 h GLU 313 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a39 h GLU 313 Cb 0.31 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1a39 h GLU 313 CO -0.07 0.19 -0.02 0.35 -0.73 0.00 0.00 179.01 178.72 1a39 h PHE 314 N 0.29 -0.06 -0.61 0.92 3.57 -1.82 0.13 116.94 119.36 1a39 h PHE 314 Ca 0.26 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.81 1a39 h PHE 314 Cb 0.33 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1a39 h PHE 314 CO -0.20 -0.04 0.33 0.00 -2.23 0.00 0.00 178.31 176.17 1a39 h GLU 316 N 0.62 0.58 0.00 0.00 4.81 -1.02 0.11 114.58 119.69 1a39 h GLU 316 Ca 0.27 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1a39 h GLU 316 Cb 0.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1a39 h GLU 316 CO -0.17 0.84 -0.28 0.00 -0.73 0.00 0.00 179.01 178.67 1a39 h ALA 317 N 0.73 1.22 -0.35 2.92 0.00 -0.73 -1.60 119.26 121.43 1a39 h ALA 317 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1a39 h ALA 317 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1a39 h ALA 317 CO 0.05 0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.89 1a39 n THR 318 N -3.74 1.47 -1.18 0.00 -2.24 -0.16 -4.90 114.28 103.54 1a39 n THR 318 Ca -0.01 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1a39 n THR 318 Cb 0.38 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1a39 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a39 n GLY 319 N 0.49 0.38 2.70 3.38 0.00 -0.60 -4.96 105.19 106.58 1a39 n GLY 319 Ca 0.16 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1a39 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a39 n SER 320 N 1.99 5.07 -0.15 1.61 7.64 0.38 -4.77 113.62 125.38 1a39 n SER 320 Ca 0.00 -2.90 -0.12 0.00 1.01 0.00 0.00 58.87 56.86 1a39 n SER 320 Cb 0.09 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 61.70 1a39 n SER 320 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1a39 h ARG 321 N 5.72 0.96 -0.26 1.43 2.43 -1.89 -2.83 114.38 119.94 1a39 h ARG 321 Ca 0.57 -0.44 -0.16 0.00 -0.81 0.00 0.00 59.98 59.13 1a39 h ARG 321 Cb 0.57 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1a39 h ARG 321 CO 1.78 1.11 -0.49 0.87 -1.51 0.00 0.00 179.97 181.73 1a39 h LYS 322 N 0.81 0.73 -0.21 0.20 1.79 -1.96 -1.75 116.57 116.17 1a39 h LYS 322 Ca 0.09 -0.43 0.06 0.00 -2.18 0.00 0.00 60.65 58.19 1a39 h LYS 322 Cb 0.85 0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.47 1a39 h LYS 322 CO 0.07 1.05 -0.27 -0.92 -1.08 0.00 0.00 179.45 178.30 1a39 h TYR 323 N 0.57 -0.74 -0.08 -1.35 3.20 -1.88 0.02 116.97 116.72 1a39 h TYR 323 Ca 0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1a39 h TYR 323 Cb 1.06 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 1a39 h TYR 323 CO 0.06 -0.35 0.02 0.52 -1.64 0.00 0.00 178.16 176.77 1a39 h MET 324 N -0.30 0.12 -0.79 1.82 2.86 -1.39 0.07 114.93 117.33 1a39 h MET 324 Ca 0.12 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1a39 h MET 324 Cb 0.49 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1a39 h MET 324 CO -0.38 0.30 0.52 0.93 1.06 0.00 0.00 176.91 179.33 1a39 h GLU 325 N -0.08 0.94 -0.41 1.72 5.08 -0.81 -2.46 114.58 118.56 1a39 h GLU 325 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1a39 h GLU 325 Cb 0.23 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1a39 h GLU 325 CO -0.00 0.62 0.00 1.28 -1.00 0.00 0.00 179.01 179.91 1a39 n LEU 326 N -4.45 1.70 0.00 1.33 4.77 -0.05 -4.79 117.00 115.50 1a39 n LEU 326 Ca 0.10 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1a39 n LEU 326 Cb 0.11 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1a39 n LEU 326 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1a39 n GLY 327 N 0.73 0.97 7.00 -0.72 0.00 -1.08 -3.46 105.19 108.64 1a39 n GLY 327 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1a39 n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a39 n ALA 328 N 0.00 0.00 -0.08 4.61 0.00 0.01 -1.05 120.51 124.00 1a39 n ALA 328 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1a39 n ALA 328 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1a39 n ALA 328 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1a39 h THR 329 N 0.00 1.25 -0.85 0.00 2.02 -1.87 -1.72 112.91 111.73 1a39 h THR 329 Ca 0.00 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 1a39 h THR 329 Cb 0.00 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1a39 h THR 329 CO 0.00 0.37 0.42 -0.61 0.37 0.00 0.00 175.52 176.07 1a39 h GLN 330 N 0.67 1.22 -0.64 6.66 4.15 -1.65 0.92 115.11 126.42 1a39 h GLN 330 Ca 0.12 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 1a39 h GLN 330 Cb 0.52 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1a39 h GLN 330 CO 0.03 0.93 0.05 0.78 -1.93 0.00 0.00 178.83 178.69 1a39 h GLY 331 N 1.21 1.19 1.01 2.39 0.00 -0.65 -1.12 103.07 107.10 1a39 h GLY 331 Ca 0.29 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1a39 h GLY 331 CO -0.04 0.77 0.19 1.98 0.00 0.00 0.00 176.54 179.45 1a39 h MET 332 N 1.02 0.93 -0.19 4.80 1.85 -0.60 -2.31 114.93 120.43 1a39 h MET 332 Ca 0.19 -0.20 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 1a39 h MET 332 Cb 0.51 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 1a39 h MET 332 CO 0.02 0.82 -0.15 0.78 -0.40 0.00 0.00 176.91 177.99 1a39 h GLY 333 N 0.85 0.33 1.45 1.39 0.00 -0.57 -2.43 103.07 104.08 1a39 h GLY 333 Ca 0.19 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 1a39 h GLY 333 CO -0.01 0.20 -0.39 0.83 0.00 0.00 0.00 176.54 177.17 1a39 h GLU 334 N 0.28 0.61 -0.33 4.80 5.08 -0.64 -0.11 114.58 124.27 1a39 h GLU 334 Ca 0.06 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1a39 h GLU 334 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1a39 h GLU 334 CO 0.03 0.90 0.17 0.00 -1.00 0.00 0.00 179.01 179.10 1a39 h ALA 335 N 1.06 0.43 -0.40 3.43 0.00 -1.36 0.01 119.26 122.43 1a39 h ALA 335 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1a39 h ALA 335 Cb 0.90 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1a39 h ALA 335 CO 0.08 -0.02 0.20 -0.07 0.00 0.00 0.00 179.25 179.44 1a39 h LEU 336 N 0.41 0.49 -0.17 0.00 3.38 -1.26 -0.18 115.31 117.97 1a39 h LEU 336 Ca 0.12 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1a39 h LEU 336 Cb 0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1a39 h LEU 336 CO -0.02 0.42 -0.48 0.74 0.09 0.00 0.00 178.44 179.20 1a39 h THR 337 N 0.56 1.33 -0.86 0.22 2.02 -0.76 -2.90 112.91 112.52 1a39 h THR 337 Ca 0.14 -1.73 0.07 0.00 0.77 0.00 0.00 66.41 65.67 1a39 h THR 337 Cb 0.05 1.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 1a39 h THR 337 CO -0.02 0.53 0.56 0.03 0.37 0.00 0.00 175.52 176.99 1a39 h ARG 338 N 0.30 0.89 0.00 6.66 3.08 -0.52 -3.46 114.38 121.33 1a39 h ARG 338 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1a39 h ARG 338 Cb 1.09 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1a39 h ARG 338 CO 0.10 0.59 0.00 0.41 -1.07 0.00 0.00 179.97 180.00 1a39 n GLY 339 N -1.41 3.82 3.16 0.04 0.00 -0.12 -5.01 105.19 105.67 1a39 n GLY 339 Ca 0.13 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 1a39 n GLY 339 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a39 s MET 340 N -5.35 0.80 -0.09 1.61 -1.94 0.29 -4.80 119.30 109.81 1a39 s MET 340 Ca 0.00 -1.25 -0.09 0.00 -1.71 0.00 0.00 55.69 52.64 1a39 s MET 340 Cb 0.00 -0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.54 1a39 s MET 340 CO 0.00 0.00 0.22 0.08 -0.01 0.00 0.00 175.02 175.31 1a39 s VAL 341 N -3.24 5.37 -0.12 -6.03 1.01 -0.72 0.02 120.40 116.69 1a39 s VAL 341 Ca 0.09 0.39 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1a39 s VAL 341 Cb 0.03 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1a39 s VAL 341 CO -0.04 0.60 0.67 -0.22 0.00 0.00 0.00 175.10 176.12 1a39 s LEU 342 N -1.00 4.25 -0.02 3.92 2.96 -1.26 -1.86 118.68 125.66 1a39 s LEU 342 Ca 0.17 1.04 0.07 0.00 -0.22 0.00 0.00 54.13 55.19 1a39 s LEU 342 Cb -0.13 -3.00 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 1a39 s LEU 342 CO 0.06 -0.18 -0.23 0.00 -1.32 0.00 0.00 176.35 174.68 1a39 s ALA 343 N 1.25 1.93 -0.02 5.97 0.00 0.10 -1.07 121.76 129.92 1a39 s ALA 343 Ca 0.34 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1a39 s ALA 343 Cb -0.17 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1a39 s ALA 343 CO 0.14 0.46 -0.10 -1.64 0.00 0.00 0.00 175.76 174.63 1a39 s MET 344 N -0.50 0.94 0.25 0.00 -1.94 -0.03 -0.50 119.30 117.51 1a39 s MET 344 Ca 0.08 -0.33 -0.18 0.00 -1.71 0.00 0.00 55.69 53.55 1a39 s MET 344 Cb -0.09 -0.88 0.02 0.00 2.01 0.00 0.00 34.83 35.88 1a39 s MET 344 CO -0.01 0.15 0.61 -1.54 -0.01 0.00 0.00 175.02 174.22 1a39 s SER 345 N 0.06 -0.23 -0.08 3.03 1.04 -0.07 -0.66 113.70 116.80 1a39 s SER 345 Ca -0.01 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.72 1a39 s SER 345 Cb -0.07 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1a39 s SER 345 CO 0.00 -1.22 0.19 -0.51 0.98 0.00 0.00 173.24 172.68 1a39 s ILE 346 N -3.93 -0.02 0.07 -1.02 2.07 -1.13 0.28 121.20 117.52 1a39 s ILE 346 Ca 0.13 0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 59.18 1a39 s ILE 346 Cb -0.03 -0.29 0.08 0.00 0.13 0.00 0.00 42.46 42.35 1a39 s ILE 346 CO 0.05 0.03 0.86 -1.66 -1.91 0.00 0.00 174.94 172.31 1a39 s TRP 347 N 0.63 -0.30 0.32 3.50 1.48 -0.61 -4.06 118.94 119.90 1a39 s TRP 347 Ca -0.04 0.09 0.06 0.00 -1.06 0.00 0.00 56.10 55.14 1a39 s TRP 347 Cb -0.06 0.58 -0.06 0.00 -1.16 0.00 0.00 33.47 32.77 1a39 s TRP 347 CO -0.03 -0.70 -0.01 1.67 -4.06 0.00 0.00 176.95 173.82 1a39 s TRP 348 N -3.28 2.05 -0.34 1.66 -2.14 -1.26 -0.99 118.94 114.63 1a39 s TRP 348 Ca 0.07 -0.78 0.02 0.00 2.66 0.00 0.00 56.10 58.07 1a39 s TRP 348 Cb -0.01 -1.28 0.10 0.00 -3.10 0.00 0.00 33.47 29.18 1a39 s TRP 348 CO -0.06 0.21 0.09 0.34 -2.66 0.00 0.00 176.95 174.88 1a39 s ASP 349 N -3.50 4.43 0.31 -2.66 2.15 -1.26 -5.01 116.67 111.13 1a39 s ASP 349 Ca 0.33 -2.04 0.01 0.00 0.43 0.00 0.00 52.55 51.28 1a39 s ASP 349 Cb 0.06 -1.33 0.50 0.00 -0.30 0.00 0.00 42.92 41.86 1a39 s ASP 349 CO 0.14 -0.38 1.87 -0.61 -0.17 0.00 0.00 175.17 176.02 1a39 h GLN 350 N 7.68 0.74 0.59 4.34 5.75 -1.97 -0.13 115.11 132.11 1a39 h GLN 350 Ca -0.07 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.26 1a39 h GLN 350 Cb 1.01 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 29.44 1a39 h GLN 350 CO 0.51 0.66 -0.28 0.78 -2.65 0.00 0.00 178.83 177.84 1a39 h GLY 351 N 0.91 -0.83 -0.95 2.39 0.00 -1.99 -3.40 103.07 99.20 1a39 h GLY 351 Ca 0.16 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1a39 h GLY 351 CO -0.01 -0.30 -0.28 0.61 0.00 0.00 0.00 176.54 176.56 1a39 n GLY 352 N -0.29 0.08 2.57 4.60 0.00 -1.24 -5.00 105.19 105.90 1a39 n GLY 352 Ca -0.10 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1a39 n GLY 352 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a39 n ASN 353 N 0.16 -5.16 -2.55 1.61 5.03 -0.06 -2.39 115.26 111.91 1a39 n ASN 353 Ca 0.08 0.35 -0.20 0.00 0.87 0.00 0.00 54.58 55.67 1a39 n ASN 353 Cb 0.39 -3.89 -0.00 0.00 -1.02 0.00 0.00 39.78 35.25 1a39 n ASN 353 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1a39 n MET 354 N -1.96 -2.41 -0.31 3.52 1.56 -1.26 -4.18 117.12 112.09 1a39 n MET 354 Ca -0.14 0.93 0.08 0.00 -0.27 0.00 0.00 57.70 58.30 1a39 n MET 354 Cb 0.54 -5.63 0.29 0.00 2.15 0.00 0.00 33.22 30.56 1a39 n MET 354 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1a39 h GLU 355 N -0.29 0.87 0.00 2.12 5.08 -1.86 0.94 114.58 121.44 1a39 h GLU 355 Ca -0.48 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1a39 h GLU 355 Cb 1.35 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1a39 h GLU 355 CO 0.55 0.58 -0.03 0.11 -1.00 0.00 0.00 179.01 179.22 1a39 h TRP 356 N 0.90 0.00 0.02 4.33 5.08 -1.86 -0.27 115.95 124.15 1a39 h TRP 356 Ca 0.44 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.35 1a39 h TRP 356 Cb 0.47 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.64 1a39 h TRP 356 CO -0.00 0.03 -0.25 1.25 -1.28 0.00 0.00 178.44 178.19 1a39 h LEU 357 N 0.00 0.19 -1.89 0.11 5.85 -1.16 -3.45 115.31 114.97 1a39 h LEU 357 Ca -0.00 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1a39 h LEU 357 Cb 0.08 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1a39 h LEU 357 CO 0.00 1.02 -0.45 -0.90 -0.34 0.00 0.00 178.44 177.78 1a39 n ASP 358 N -4.49 0.00 -4.37 1.25 5.68 -1.13 -4.66 116.55 108.83 1a39 n ASP 358 Ca -0.10 -1.89 -0.24 0.00 -0.50 0.00 0.00 54.79 52.05 1a39 n ASP 358 Cb 0.53 -0.18 -0.12 0.00 -1.14 0.00 0.00 41.12 40.22 1a39 n ASP 358 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1a39 s HIS 359 N 0.00 2.03 0.00 2.11 5.04 -0.13 -1.64 115.29 122.71 1a39 s HIS 359 Ca 0.00 -0.41 0.00 0.00 -1.54 0.00 0.00 55.06 53.11 1a39 s HIS 359 Cb 0.00 -1.02 0.00 0.00 0.04 0.00 0.00 32.58 31.60 1a39 s HIS 359 CO 0.00 0.39 0.00 0.41 -2.34 0.00 0.00 174.74 173.20 1a39 n GLY 360 N 0.37 3.77 0.29 1.59 0.00 -1.19 -1.41 105.19 108.60 1a39 n GLY 360 Ca -0.14 -0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.05 1a39 n GLY 360 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a39 h GLU 361 N 0.00 0.00 -0.02 1.61 5.08 -1.93 -2.99 114.58 116.34 1a39 h GLU 361 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a39 h GLU 361 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a39 h GLU 361 CO 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 177.92 1a39 n ALA 362 N -2.08 2.74 0.00 3.43 0.00 -0.50 -2.30 120.51 121.81 1a39 n ALA 362 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1a39 n ALA 362 Cb 0.23 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1a39 n ALA 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a39 n GLY 363 N 1.26 -0.99 0.13 0.00 0.00 -1.13 -4.16 105.19 100.29 1a39 n GLY 363 Ca 0.16 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.17 1a39 n GLY 363 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a39 n PRO 364 N 0.00 0.42 -2.28 1.61 -0.04 -1.03 -3.18 135.00 130.50 1a39 n PRO 364 Ca 0.00 -0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 62.79 1a39 n PRO 364 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1a39 n PRO 364 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a39 s ALA 366 N 0.29 1.46 0.09 0.00 0.00 -1.26 -4.13 121.76 118.22 1a39 s ALA 366 Ca 0.57 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.62 1a39 s ALA 366 Cb -0.35 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1a39 s ALA 366 CO 0.36 -2.60 1.30 0.21 0.00 0.00 0.00 175.76 175.03 1a39 s LYS 367 N -5.27 4.37 0.00 0.00 2.36 -1.26 -2.21 119.74 117.73 1a39 s LYS 367 Ca 0.66 1.93 0.00 0.00 -2.55 0.00 0.00 55.97 56.01 1a39 s LYS 367 Cb -0.14 -3.29 0.00 0.00 -1.05 0.00 0.00 37.83 33.34 1a39 s LYS 367 CO 0.55 -0.35 0.00 0.41 1.55 0.00 0.00 175.35 177.51 1a39 n GLY 368 N 3.35 1.49 0.20 5.54 0.00 -1.26 -4.90 105.19 109.61 1a39 n GLY 368 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1a39 n GLY 368 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a39 h GLU 369 N 3.05 0.00 -0.44 1.61 4.81 -1.81 -3.04 114.58 118.77 1a39 h GLU 369 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a39 h GLU 369 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1a39 h GLU 369 CO 0.00 0.35 0.00 0.41 -0.73 0.00 0.00 179.01 179.04 1a39 n GLY 370 N -0.11 1.24 3.76 1.92 0.00 -1.26 -4.21 105.19 106.52 1a39 n GLY 370 Ca -0.01 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1a39 n GLY 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a39 s ALA 371 N -1.42 3.49 0.32 4.61 0.00 -1.15 -4.50 121.76 123.12 1a39 s ALA 371 Ca 0.34 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.54 1a39 s ALA 371 Cb 0.18 -3.45 0.93 0.00 0.00 0.00 0.00 23.12 20.78 1a39 s ALA 371 CO 0.25 -0.52 1.61 -1.35 0.00 0.00 0.00 175.76 175.75 1a39 h PRO 372 N 4.13 0.12 0.00 0.00 0.11 -1.91 0.56 132.00 135.02 1a39 h PRO 372 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1a39 h PRO 372 Cb 1.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1a39 h PRO 372 CO 0.70 0.08 -0.08 0.66 -0.21 0.00 0.00 178.00 179.15 1a39 h SER 373 N 0.13 0.00 0.39 -2.05 4.64 -1.96 -1.97 113.55 112.73 1a39 h SER 373 Ca 0.66 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.67 1a39 h SER 373 Cb 1.50 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.54 1a39 h SER 373 CO -0.75 0.08 -1.82 0.59 -0.87 0.00 0.00 176.83 174.06 1a39 n ASN 374 N -3.32 1.01 -0.08 4.97 3.02 0.16 -4.05 115.26 116.97 1a39 n ASN 374 Ca -0.01 0.34 -0.07 0.00 -0.03 0.00 0.00 54.58 54.81 1a39 n ASN 374 Cb 0.26 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1a39 n ASN 374 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1a39 h ILE 375 N 0.01 0.90 0.00 2.41 2.04 0.11 -1.14 117.51 121.84 1a39 h ILE 375 Ca -0.33 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1a39 h ILE 375 Cb 2.04 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1a39 h ILE 375 CO 0.07 0.04 0.00 -0.37 0.00 0.00 0.00 178.15 177.89 1a39 h VAL 376 N 0.21 0.00 0.00 1.67 -1.51 -1.57 0.34 116.25 115.39 1a39 h VAL 376 Ca 0.13 -0.17 -0.19 0.00 -1.23 0.00 0.00 66.70 65.25 1a39 h VAL 376 Cb 0.12 1.05 -0.03 0.00 -2.13 0.00 0.00 31.29 30.30 1a39 h VAL 376 CO -0.15 0.00 -0.88 1.56 -1.23 0.00 0.00 177.57 176.87 1a39 h GLN 377 N 0.00 0.00 0.17 5.19 4.20 -1.36 -2.49 115.11 120.82 1a39 h GLN 377 Ca 0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1a39 h GLN 377 Cb 0.19 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.98 1a39 h GLN 377 CO 0.00 0.88 -1.52 0.28 -0.67 0.00 0.00 178.83 177.80 1a39 h VAL 378 N 0.00 1.06 -1.88 -0.54 2.07 -0.93 -3.45 116.25 112.58 1a39 h VAL 378 Ca -0.01 -2.50 -0.22 0.00 0.82 0.00 0.00 66.70 64.80 1a39 h VAL 378 Cb 1.57 2.82 -0.30 0.00 -1.52 0.00 0.00 31.29 33.86 1a39 h VAL 378 CO 0.11 0.79 -0.55 -0.70 0.02 0.00 0.00 177.57 177.24 1a39 s GLU 379 N -2.53 0.37 0.50 1.57 2.56 0.11 -5.02 118.70 116.25 1a39 s GLU 379 Ca -0.16 0.15 0.25 0.00 0.00 0.00 0.00 54.97 55.21 1a39 s GLU 379 Cb 0.04 -0.46 1.31 0.00 2.00 0.00 0.00 34.13 37.03 1a39 s GLU 379 CO 0.83 -0.94 2.03 -1.00 -0.56 0.00 0.00 175.26 175.62 1a39 h PRO 380 N 8.20 0.00 -2.18 4.30 0.13 -1.65 -3.30 132.00 137.49 1a39 h PRO 380 Ca -0.12 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.43 1a39 h PRO 380 Cb 1.12 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.85 1a39 h PRO 380 CO 0.28 0.15 -0.89 1.19 -0.23 0.00 0.00 178.00 178.51 1a39 n PHE 381 N -3.73 1.11 -1.69 1.56 3.72 -1.26 -4.91 117.46 112.27 1a39 n PHE 381 Ca -0.02 -3.78 -0.43 0.00 -0.05 0.00 0.00 57.45 53.18 1a39 n PHE 381 Cb 0.26 -0.36 -0.01 0.00 -0.94 0.00 0.00 39.48 38.43 1a39 n PHE 381 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1a39 n PRO 382 N 1.44 2.11 -3.82 -1.08 -0.02 -1.24 -4.89 135.00 127.49 1a39 n PRO 382 Ca 0.25 0.74 -0.08 0.00 -2.02 0.00 0.00 63.50 62.39 1a39 n PRO 382 Cb 0.47 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1a39 n PRO 382 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1a39 s GLU 383 N -1.54 1.68 -0.01 -0.52 -1.05 -1.19 -1.49 118.70 114.59 1a39 s GLU 383 Ca 0.58 -0.96 -0.05 0.00 -0.15 0.00 0.00 54.97 54.40 1a39 s GLU 383 Cb -0.58 0.59 -0.00 0.00 -0.44 0.00 0.00 34.13 33.69 1a39 s GLU 383 CO 0.59 -0.76 0.09 0.54 0.95 0.00 0.00 175.26 176.68 1a39 s VAL 384 N -3.91 0.07 -0.08 1.83 0.11 -0.59 -4.34 120.40 113.49 1a39 s VAL 384 Ca 0.11 -0.55 0.02 0.00 -2.93 0.00 0.00 61.98 58.63 1a39 s VAL 384 Cb -0.05 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1a39 s VAL 384 CO 0.05 -0.30 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.51 1a39 s THR 385 N -1.00 1.14 -0.19 5.04 2.01 -1.20 -1.09 115.64 120.35 1a39 s THR 385 Ca -0.11 -0.45 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 1a39 s THR 385 Cb -0.06 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1a39 s THR 385 CO 0.01 0.36 0.02 -0.31 -0.69 0.00 0.00 174.62 174.01 1a39 s TYR 386 N 0.89 3.11 0.08 4.92 2.02 -0.19 -2.00 117.35 126.19 1a39 s TYR 386 Ca -0.10 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 1a39 s TYR 386 Cb -0.15 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 1a39 s TYR 386 CO 0.01 -0.05 -0.12 0.99 -1.57 0.00 0.00 175.55 174.81 1a39 s THR 387 N 0.66 0.98 -1.21 -0.71 2.01 -0.04 -0.03 115.64 117.30 1a39 s THR 387 Ca 0.01 -1.43 -0.07 0.00 0.31 0.00 0.00 61.69 60.51 1a39 s THR 387 Cb -0.14 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1a39 s THR 387 CO 0.02 -0.39 0.77 0.59 -0.69 0.00 0.00 174.62 174.92 1a39 n ASN 388 N 0.97 -3.38 -4.68 3.53 3.02 -0.25 -1.10 115.26 113.38 1a39 n ASN 388 Ca -0.19 -0.85 -0.44 0.00 -0.03 0.00 0.00 54.58 53.07 1a39 n ASN 388 Cb 0.56 -4.13 -0.04 0.00 -0.61 0.00 0.00 39.78 35.56 1a39 n ASN 388 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a39 n LEU 389 N -4.04 3.87 -3.80 3.41 4.32 -1.26 -4.41 117.00 115.09 1a39 n LEU 389 Ca -0.20 0.96 -0.12 0.00 -0.02 0.00 0.00 56.01 56.63 1a39 n LEU 389 Cb 0.64 -1.49 -0.10 0.00 -1.62 0.00 0.00 43.42 40.85 1a39 n LEU 389 CO 0.66 0.09 -0.08 0.00 -1.22 0.00 0.00 177.39 176.84 1a39 s ARG 390 N 3.46 0.47 0.06 3.23 1.70 0.03 -0.83 118.95 127.07 1a39 s ARG 390 Ca 0.87 -0.05 -0.22 0.00 -0.47 0.00 0.00 55.73 55.85 1a39 s ARG 390 Cb -0.53 0.21 0.05 0.00 -0.57 0.00 0.00 34.95 34.11 1a39 s ARG 390 CO 0.42 -0.11 0.53 1.67 -1.08 0.00 0.00 175.30 176.74 1a39 s TRP 391 N -0.79 -0.43 -0.70 5.89 -2.14 -0.94 -0.53 118.94 119.30 1a39 s TRP 391 Ca -0.09 0.43 0.00 0.00 2.66 0.00 0.00 56.10 59.11 1a39 s TRP 391 Cb -0.05 0.37 0.00 0.00 -3.10 0.00 0.00 33.47 30.69 1a39 s TRP 391 CO 0.02 -0.67 0.00 0.41 -2.66 0.00 0.00 176.95 174.05 1a39 n GLY 392 N 0.27 -0.30 3.77 3.67 0.00 -0.80 -1.06 105.19 110.74 1a39 n GLY 392 Ca -0.18 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1a39 n GLY 392 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a39 n GLU 393 N 0.00 2.32 -1.61 1.61 1.02 -0.65 0.02 120.64 123.35 1a39 n GLU 393 Ca 0.00 0.82 -0.49 0.00 -0.02 0.00 0.00 57.16 57.47 1a39 n GLU 393 Cb 0.00 -2.64 -0.05 0.00 -0.02 0.00 0.00 31.44 28.73 1a39 n GLU 393 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1a39 n ILE 394 N -0.13 0.32 -0.31 -3.67 2.08 -1.26 -1.68 119.36 114.71 1a39 n ILE 394 Ca 0.05 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1a39 n ILE 394 Cb 0.41 -1.04 0.00 0.00 -0.75 0.00 0.00 39.64 38.26 1a39 n ILE 394 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1a39 n GLY 395 N 2.53 1.27 0.55 7.39 0.00 -1.26 -4.89 105.19 110.78 1a39 n GLY 395 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1a39 n GLY 395 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a39 n SER 396 N 0.00 2.33 -0.85 1.61 3.41 -0.68 -4.64 113.62 114.81 1a39 n SER 396 Ca 0.00 -1.66 0.10 0.00 -0.26 0.00 0.00 58.87 57.05 1a39 n SER 396 Cb 0.00 -0.08 0.10 0.00 -0.26 0.00 0.00 64.21 63.97 1a39 n SER 396 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1a39 n THR 397 N 0.65 0.10 -3.98 6.66 -2.24 -1.26 -4.68 114.28 109.54 1a39 n THR 397 Ca 0.09 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1a39 n THR 397 Cb 0.35 1.33 -0.08 0.00 -2.10 0.00 0.00 70.33 69.82 1a39 n THR 397 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1a39 s TYR 398 N -1.62 0.40 0.02 4.78 1.13 -1.26 -4.97 117.35 115.82 1a39 s TYR 398 Ca 0.26 -0.83 -0.04 0.00 -1.41 0.00 0.00 57.07 55.04 1a39 s TYR 398 Cb 0.17 -0.20 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1a39 s TYR 398 CO 0.26 -0.54 0.06 1.14 -2.51 0.00 0.00 175.55 173.96 1a39 s GLN 399 N -3.93 0.43 0.03 -3.49 -2.07 -1.26 -5.07 119.66 104.32 1a39 s GLN 399 Ca 0.11 -0.55 0.06 0.00 -1.82 0.00 0.00 55.36 53.17 1a39 s GLN 399 Cb 0.06 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 1a39 s GLN 399 CO -0.07 -0.09 -0.16 -2.00 -1.32 0.00 0.00 175.29 171.65 1a39 s GLU 400 N -1.64 2.15 -0.09 9.60 2.56 -1.26 -4.82 118.70 125.21 1a39 s GLU 400 Ca -0.13 -0.94 -0.07 0.00 0.00 0.00 0.00 54.97 53.83 1a39 s GLU 400 Cb -0.07 -2.24 -0.04 0.00 2.00 0.00 0.00 34.13 33.78 1a39 s GLU 400 CO -0.00 0.55 0.17 -0.51 -0.56 0.00 0.00 175.26 174.91 1a39 s LEU 401 N -1.43 4.39 0.00 2.70 1.02 0.18 -5.02 118.68 120.52 1a39 s LEU 401 Ca 0.15 0.49 0.00 0.00 0.02 0.00 0.00 54.13 54.79 1a39 s LEU 401 Cb -0.11 -2.23 0.00 0.00 0.02 0.00 0.00 46.19 43.87 1a39 s LEU 401 CO 0.06 0.37 0.00 0.00 0.02 0.00 0.00 176.35 176.80