#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nia h ILE 9 N 0.00 0.71 0.00 5.18 2.10 -2.04 -3.26 117.51 120.20 1nia h ILE 9 Ca 0.00 -1.94 0.00 0.00 1.08 0.00 0.00 64.86 64.00 1nia h ILE 9 Cb 0.00 2.30 0.00 0.00 -1.09 0.00 0.00 36.82 38.03 1nia h ILE 9 CO 0.00 0.40 0.00 -1.20 -1.08 0.00 0.00 178.15 176.27 1nia n SER 10 N -3.23 0.31 -0.86 2.19 7.64 -1.26 -1.78 113.62 116.63 1nia n SER 10 Ca 0.02 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.61 1nia n SER 10 Cb 0.68 -0.65 0.27 0.00 -1.01 0.00 0.00 64.21 63.50 1nia n SER 10 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nia n THR 11 N -1.86 0.25 -3.61 0.44 -2.24 -1.23 -4.92 114.28 101.12 1nia n THR 11 Ca 0.02 -0.52 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 1nia n THR 11 Cb 0.16 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 1nia n THR 11 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nia s LEU 12 N -1.68 4.42 0.46 3.22 1.43 -0.73 -5.07 118.68 120.73 1nia s LEU 12 Ca 0.35 0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 54.02 1nia s LEU 12 Cb 0.20 -2.59 -0.08 0.00 0.03 0.00 0.00 46.19 43.76 1nia s LEU 12 CO 0.30 0.30 1.14 -2.16 0.23 0.00 0.00 176.35 176.17 1nia s PRO 13 N -1.31 3.79 -0.07 1.29 0.04 -1.26 -4.80 135.00 132.67 1nia s PRO 13 Ca 0.24 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.05 1nia s PRO 13 Cb -0.15 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1nia s PRO 13 CO 0.13 -0.51 -0.20 1.03 0.04 0.00 0.00 177.00 177.48 1nia s ARG 14 N -2.72 2.73 -0.02 4.56 0.52 -1.26 -1.42 118.95 121.35 1nia s ARG 14 Ca 0.63 -0.81 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 1nia s ARG 14 Cb -0.27 -2.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.88 1nia s ARG 14 CO 0.33 0.39 -0.09 0.54 0.02 0.00 0.00 175.30 176.49 1nia s VAL 15 N -0.16 0.78 -0.22 3.52 0.11 -0.65 -4.97 120.40 118.80 1nia s VAL 15 Ca -0.02 -0.39 -0.09 0.00 -2.93 0.00 0.00 61.98 58.54 1nia s VAL 15 Cb -0.14 -0.68 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1nia s VAL 15 CO 0.04 0.23 0.13 -0.75 -3.33 0.00 0.00 175.10 171.42 1nia s LYS 16 N -0.01 4.02 -0.03 1.54 2.47 -1.26 -0.67 119.74 125.80 1nia s LYS 16 Ca 0.00 -0.30 0.04 0.00 -1.56 0.00 0.00 55.97 54.15 1nia s LYS 16 Cb -0.06 -3.44 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 1nia s LYS 16 CO 0.00 0.11 -0.13 0.08 0.16 0.00 0.00 175.35 175.56 1nia s VAL 17 N 0.89 3.13 -0.27 4.02 1.01 -0.45 -4.96 120.40 123.77 1nia s VAL 17 Ca 0.06 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1nia s VAL 17 Cb -0.13 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1nia s VAL 17 CO 0.03 0.54 0.15 -1.81 0.00 0.00 0.00 175.10 174.01 1nia s ASP 18 N -0.89 5.72 0.40 3.32 1.01 -1.26 -4.53 116.67 120.44 1nia s ASP 18 Ca 0.12 -0.09 -0.25 0.00 0.71 0.00 0.00 52.55 53.04 1nia s ASP 18 Cb -0.11 -2.05 -0.09 0.00 1.01 0.00 0.00 42.92 41.68 1nia s ASP 18 CO 0.02 -0.05 1.12 -0.76 0.21 0.00 0.00 175.17 175.71 1nia s LEU 19 N 1.71 4.18 0.04 1.23 1.43 -1.26 -4.82 118.68 121.19 1nia s LEU 19 Ca 0.07 2.22 0.03 0.00 -1.03 0.00 0.00 54.13 55.42 1nia s LEU 19 Cb -0.16 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 1nia s LEU 19 CO 0.08 -0.59 0.02 -0.69 0.23 0.00 0.00 176.35 175.40 1nia s VAL 20 N -1.50 4.20 0.29 -1.59 1.01 -1.26 -5.02 120.40 116.53 1nia s VAL 20 Ca 0.57 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1nia s VAL 20 Cb -0.27 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1nia s VAL 20 CO 0.34 0.26 1.20 -0.75 0.00 0.00 0.00 175.10 176.15 1nia s LYS 21 N -1.90 4.51 0.89 2.72 2.20 -1.26 -4.47 119.74 122.42 1nia s LYS 21 Ca 0.23 1.98 -0.10 0.00 -0.36 0.00 0.00 55.97 57.71 1nia s LYS 21 Cb -0.12 -3.15 0.13 0.00 -1.51 0.00 0.00 37.83 33.18 1nia s LYS 21 CO 0.14 0.01 1.12 -2.14 -0.36 0.00 0.00 175.35 174.13 1nia s PRO 22 N -1.40 1.23 0.00 4.03 0.02 -1.26 -2.27 135.00 135.35 1nia s PRO 22 Ca 0.47 1.36 0.08 0.00 0.02 0.00 0.00 61.00 62.93 1nia s PRO 22 Cb -0.35 -1.77 0.47 0.00 0.02 0.00 0.00 34.50 32.87 1nia s PRO 22 CO 0.45 -2.42 1.20 -0.35 -0.33 0.00 0.00 177.00 175.55 1nia n PRO 23 N -4.07 0.88 -2.36 5.54 -0.04 -1.26 -5.07 135.00 128.63 1nia n PRO 23 Ca 0.10 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.27 1nia n PRO 23 Cb 0.53 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1nia n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nia s PHE 24 N -2.00 3.58 0.04 0.54 0.08 -0.96 -0.56 117.98 118.69 1nia s PHE 24 Ca 0.12 1.04 0.05 0.00 0.12 0.00 0.00 56.93 58.25 1nia s PHE 24 Cb 0.05 -2.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1nia s PHE 24 CO 0.09 -0.42 -0.15 0.08 -0.10 0.00 0.00 175.22 174.72 1nia s VAL 25 N -2.87 1.16 0.75 -0.44 1.01 -1.26 -4.60 120.40 114.15 1nia s VAL 25 Ca 0.51 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1nia s VAL 25 Cb -0.11 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.28 1nia s VAL 25 CO 0.47 0.04 1.11 -1.38 0.00 0.00 0.00 175.10 175.34 1nia s HIS 26 N -0.82 2.44 0.53 5.22 -3.43 -1.26 -4.92 115.29 113.05 1nia s HIS 26 Ca 0.02 1.58 -0.22 0.00 -0.80 0.00 0.00 55.06 55.64 1nia s HIS 26 Cb -0.08 -3.16 -0.06 0.00 -1.43 0.00 0.00 32.58 27.86 1nia s HIS 26 CO 0.01 -1.94 1.38 0.00 -2.00 0.00 0.00 174.74 172.19 1nia s ALA 27 N -2.61 2.91 -0.12 -1.38 0.00 -1.26 -5.00 121.76 114.30 1nia s ALA 27 Ca 0.65 1.37 -0.31 0.00 0.00 0.00 0.00 51.96 53.67 1nia s ALA 27 Cb -0.20 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.47 1nia s ALA 27 CO 0.51 -1.35 1.04 -3.38 0.00 0.00 0.00 175.76 172.57 1nia s HIS 28 N -1.28 -0.27 -0.09 0.00 -3.43 -1.26 -5.06 115.29 103.90 1nia s HIS 28 Ca 0.69 0.28 -0.11 0.00 -0.80 0.00 0.00 55.06 55.12 1nia s HIS 28 Cb -0.41 0.50 -0.05 0.00 -1.43 0.00 0.00 32.58 31.19 1nia s HIS 28 CO 0.50 -0.36 0.25 -0.51 -2.00 0.00 0.00 174.74 172.63 1nia s ASP 29 N -1.93 6.52 0.04 7.38 1.01 -1.26 -4.99 116.67 123.45 1nia s ASP 29 Ca 0.05 0.62 -0.17 0.00 0.71 0.00 0.00 52.55 53.76 1nia s ASP 29 Cb -0.01 -2.15 -0.22 0.00 1.01 0.00 0.00 42.92 41.56 1nia s ASP 29 CO -0.05 0.31 1.17 1.56 0.21 0.00 0.00 175.17 178.38 1nia h GLN 30 N 5.29 0.57 -4.86 8.23 4.20 -1.96 -3.40 115.11 123.18 1nia h GLN 30 Ca -0.51 -0.57 -0.65 0.00 0.06 0.00 0.00 58.65 56.99 1nia h GLN 30 Cb 1.21 0.15 -0.18 0.00 0.30 0.00 0.00 27.48 28.96 1nia h GLN 30 CO 0.63 1.19 -0.51 0.08 -0.67 0.00 0.00 178.83 179.55 1nia s VAL 31 N -3.39 5.27 0.12 -0.54 1.01 -1.26 -3.08 120.40 118.55 1nia s VAL 31 Ca -0.12 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.63 1nia s VAL 31 Cb 0.06 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 1nia s VAL 31 CO 0.86 0.20 1.67 0.00 0.00 0.00 0.00 175.10 177.83 1nia s ALA 32 N 1.75 3.76 -0.44 5.51 0.00 -0.09 -4.91 121.76 127.34 1nia s ALA 32 Ca 0.07 1.35 0.23 0.00 0.00 0.00 0.00 51.96 53.60 1nia s ALA 32 Cb -0.16 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 1nia s ALA 32 CO 0.11 -1.01 0.95 1.63 0.00 0.00 0.00 175.76 177.44 1nia n LYS 33 N 4.94 0.41 -4.57 0.00 5.02 -1.26 -4.94 118.16 117.76 1nia n LYS 33 Ca 0.16 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.17 1nia n LYS 33 Cb 0.39 -1.64 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 1nia n LYS 33 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1nia s THR 34 N -3.28 2.07 0.21 -0.18 -4.23 -1.26 -5.15 115.64 103.82 1nia s THR 34 Ca 0.01 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.48 1nia s THR 34 Cb 0.13 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 71.07 1nia s THR 34 CO 0.81 -0.03 0.28 0.61 -0.54 0.00 0.00 174.62 175.75 1nia n GLY 35 N -0.96 -1.30 3.62 3.99 0.00 -1.26 -4.97 105.19 104.30 1nia n GLY 35 Ca -0.05 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1nia n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nia n PRO 36 N -1.64 1.31 -4.22 1.61 -0.02 -1.26 -4.99 135.00 125.78 1nia n PRO 36 Ca 0.04 0.47 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1nia n PRO 36 Cb 0.12 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 1nia n PRO 36 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nia s ARG 37 N -2.20 1.25 -0.36 -0.52 0.52 -1.26 -4.35 118.95 112.03 1nia s ARG 37 Ca 0.66 -1.67 -0.11 0.00 -0.52 0.00 0.00 55.73 54.09 1nia s ARG 37 Cb -0.52 0.18 0.02 0.00 0.52 0.00 0.00 34.95 35.15 1nia s ARG 37 CO 0.55 -0.38 0.21 0.08 0.02 0.00 0.00 175.30 175.77 1nia s VAL 38 N -4.07 4.69 -0.32 3.52 1.01 -0.51 -0.26 120.40 124.46 1nia s VAL 38 Ca 0.39 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1nia s VAL 38 Cb 0.07 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1nia s VAL 38 CO 0.13 -0.17 0.27 -0.69 0.00 0.00 0.00 175.10 174.64 1nia s VAL 39 N 1.59 5.25 -0.10 2.92 1.01 0.44 -1.63 120.40 129.88 1nia s VAL 39 Ca 0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 1nia s VAL 39 Cb -0.19 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1nia s VAL 39 CO 0.07 0.03 0.37 -1.61 0.00 0.00 0.00 175.10 173.96 1nia s GLU 40 N 1.83 4.12 0.10 2.72 2.02 0.16 -1.10 118.70 128.56 1nia s GLU 40 Ca 0.08 0.27 0.05 0.00 0.02 0.00 0.00 54.97 55.39 1nia s GLU 40 Cb -0.17 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 1nia s GLU 40 CO 0.11 0.39 -0.13 -0.06 0.02 0.00 0.00 175.26 175.59 1nia s PHE 41 N -0.06 1.26 -0.05 1.61 0.08 -0.21 -1.34 117.98 119.26 1nia s PHE 41 Ca 0.21 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.74 1nia s PHE 41 Cb -0.15 -0.68 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 1nia s PHE 41 CO 0.08 0.08 -0.09 0.99 -0.10 0.00 0.00 175.22 176.19 1nia s THR 42 N -1.85 0.84 -0.04 0.64 2.01 -1.26 -0.99 115.64 114.99 1nia s THR 42 Ca 0.04 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1nia s THR 42 Cb -0.07 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.66 1nia s THR 42 CO 0.02 0.29 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.14 1nia s MET 43 N 0.72 0.86 -0.17 4.92 -1.94 -0.50 -4.87 119.30 118.32 1nia s MET 43 Ca -0.12 -0.18 -0.05 0.00 -1.71 0.00 0.00 55.69 53.63 1nia s MET 43 Cb -0.15 -0.83 -0.03 0.00 2.01 0.00 0.00 34.83 35.83 1nia s MET 43 CO 0.02 -0.01 0.01 0.99 -0.01 0.00 0.00 175.02 176.02 1nia s THR 44 N 0.61 4.31 0.13 2.05 2.01 -1.26 -1.40 115.64 122.08 1nia s THR 44 Ca -0.09 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 1nia s THR 44 Cb -0.12 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 1nia s THR 44 CO 0.00 0.48 0.96 -0.63 -0.69 0.00 0.00 174.62 174.75 1nia s ILE 45 N 0.35 4.43 -0.09 1.82 1.01 0.09 0.16 121.20 128.97 1nia s ILE 45 Ca -0.01 2.06 -0.02 0.00 0.00 0.00 0.00 60.65 62.68 1nia s ILE 45 Cb -0.13 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.06 1nia s ILE 45 CO 0.02 0.33 0.01 -1.61 0.00 0.00 0.00 174.94 173.69 1nia s GLU 46 N -0.14 0.56 -0.14 2.79 2.02 0.12 -4.48 118.70 119.44 1nia s GLU 46 Ca 0.46 0.03 -0.18 0.00 0.02 0.00 0.00 54.97 55.30 1nia s GLU 46 Cb -0.24 -1.18 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 1nia s GLU 46 CO 0.30 -0.38 0.48 -1.21 0.02 0.00 0.00 175.26 174.48 1nia s GLU 47 N 1.97 4.31 0.13 1.61 2.02 -1.26 -0.47 118.70 127.01 1nia s GLU 47 Ca 0.04 0.43 -0.22 0.00 0.02 0.00 0.00 54.97 55.24 1nia s GLU 47 Cb -0.13 -3.46 0.06 0.00 0.10 0.00 0.00 34.13 30.70 1nia s GLU 47 CO -0.06 0.10 0.56 -1.59 0.02 0.00 0.00 175.26 174.29 1nia s LYS 48 N 0.83 1.21 0.29 1.61 -2.85 0.23 -4.99 119.74 116.08 1nia s LYS 48 Ca 0.25 -0.46 -0.28 0.00 -1.00 0.00 0.00 55.97 54.48 1nia s LYS 48 Cb -0.15 0.55 -0.09 0.00 -2.06 0.00 0.00 37.83 36.08 1nia s LYS 48 CO 0.10 -0.50 1.02 0.15 0.10 0.00 0.00 175.35 176.21 1nia s LYS 49 N -3.51 4.62 -0.02 1.78 1.02 -1.26 0.80 119.74 123.17 1nia s LYS 49 Ca 0.00 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1nia s LYS 49 Cb -0.00 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1nia s LYS 49 CO -0.11 0.26 0.01 -1.17 -0.92 0.00 0.00 175.35 173.42 1nia s LEU 50 N -1.66 1.41 -0.32 3.17 2.96 0.52 -4.84 118.68 119.91 1nia s LEU 50 Ca 0.47 -0.00 -0.18 0.00 -0.22 0.00 0.00 54.13 54.19 1nia s LEU 50 Cb -0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.30 1nia s LEU 50 CO 0.33 -0.07 0.53 -0.69 -1.32 0.00 0.00 176.35 175.13 1nia s VAL 51 N 0.69 5.02 -1.10 1.68 1.01 -1.26 -1.18 120.40 125.26 1nia s VAL 51 Ca -0.06 0.54 0.22 0.00 0.00 0.00 0.00 61.98 62.68 1nia s VAL 51 Cb -0.09 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.23 1nia s VAL 51 CO -0.02 -0.13 1.08 2.30 0.00 0.00 0.00 175.10 178.33 1nia n ILE 52 N 5.36 0.00 -4.09 2.22 -5.35 -0.51 -4.86 119.36 112.13 1nia n ILE 52 Ca -0.04 -0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.28 1nia n ILE 52 Cb 0.49 0.79 -0.05 0.00 -1.74 0.00 0.00 39.64 39.14 1nia n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1nia s ASP 53 N -2.94 0.74 0.59 7.28 1.47 -1.26 -1.09 116.67 121.45 1nia s ASP 53 Ca 0.10 -1.41 0.36 0.00 1.18 0.00 0.00 52.55 52.78 1nia s ASP 53 Cb 0.17 0.63 1.80 0.00 -0.34 0.00 0.00 42.92 45.18 1nia s ASP 53 CO 0.79 -1.24 2.16 0.03 0.68 0.00 0.00 175.17 177.59 1nia h ARG 54 N 2.17 0.00 -0.65 2.11 -0.00 -1.95 -2.58 114.38 113.47 1nia h ARG 54 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 1nia h ARG 54 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.21 1nia h ARG 54 CO 0.39 0.03 0.00 0.39 0.00 0.00 0.00 179.97 180.79 1nia n GLU 55 N -3.25 2.80 -1.24 0.04 1.02 -1.26 -4.92 120.64 113.83 1nia n GLU 55 Ca -0.01 -1.69 -0.08 0.00 -0.02 0.00 0.00 57.16 55.36 1nia n GLU 55 Cb 0.20 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 29.84 1nia n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nia n GLY 56 N 0.62 0.96 3.70 0.62 0.00 -0.97 -4.95 105.19 105.17 1nia n GLY 56 Ca 0.15 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1nia n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nia n THR 57 N -2.54 0.20 -4.97 2.61 -1.04 -1.26 -4.89 114.28 102.39 1nia n THR 57 Ca -0.08 -0.04 -0.31 0.00 -2.04 0.00 0.00 64.05 61.58 1nia n THR 57 Cb 0.38 -2.02 -0.15 0.00 -1.82 0.00 0.00 70.33 66.72 1nia n THR 57 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1nia s GLU 58 N 2.03 1.97 0.15 -2.82 2.12 -1.26 -1.43 118.70 119.45 1nia s GLU 58 Ca 0.79 -1.02 0.01 0.00 0.36 0.00 0.00 54.97 55.11 1nia s GLU 58 Cb -0.51 -2.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 1nia s GLU 58 CO 0.36 0.54 0.00 0.96 -0.54 0.00 0.00 175.26 176.57 1nia s ILE 59 N -0.77 0.54 -0.71 -3.70 -4.36 -0.32 -4.82 121.20 107.06 1nia s ILE 59 Ca 0.12 -1.95 -0.18 0.00 -0.26 0.00 0.00 60.65 58.38 1nia s ILE 59 Cb -0.10 -2.00 0.14 0.00 1.25 0.00 0.00 42.46 41.74 1nia s ILE 59 CO 0.02 -0.56 0.79 -1.00 0.24 0.00 0.00 174.94 174.43 1nia s HIS 60 N -3.74 3.20 0.40 1.37 3.76 -1.26 -0.36 115.29 118.66 1nia s HIS 60 Ca 0.21 -1.29 -0.23 0.00 -0.15 0.00 0.00 55.06 53.60 1nia s HIS 60 Cb 0.06 -4.02 -0.10 0.00 1.11 0.00 0.00 32.58 29.64 1nia s HIS 60 CO 0.01 -1.26 0.97 0.00 -0.85 0.00 0.00 174.74 173.62 1nia s ALA 61 N 2.08 3.08 -0.23 -1.40 0.00 0.24 -4.88 121.76 120.66 1nia s ALA 61 Ca 0.17 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1nia s ALA 61 Cb -0.18 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1nia s ALA 61 CO -0.00 0.06 -0.14 -1.64 0.00 0.00 0.00 175.76 174.03 1nia s MET 62 N -2.75 2.55 0.21 0.00 -1.94 -0.83 -0.60 119.30 115.94 1nia s MET 62 Ca 0.58 -1.14 0.09 0.00 -1.71 0.00 0.00 55.69 53.51 1nia s MET 62 Cb -0.14 -2.78 -0.05 0.00 2.01 0.00 0.00 34.83 33.87 1nia s MET 62 CO 0.19 -0.43 -0.17 0.95 -0.01 0.00 0.00 175.02 175.55 1nia s THR 63 N 1.18 1.92 -0.35 2.05 -4.23 0.38 -2.27 115.64 114.32 1nia s THR 63 Ca -0.03 -2.16 -0.13 0.00 -1.18 0.00 0.00 61.69 58.20 1nia s THR 63 Cb -0.17 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 1nia s THR 63 CO -0.08 -0.46 0.23 -0.36 -0.54 0.00 0.00 174.62 173.41 1nia s PHE 64 N -2.57 3.22 -1.05 3.99 0.08 -1.25 -0.70 117.98 119.70 1nia s PHE 64 Ca 0.22 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.87 1nia s PHE 64 Cb -0.03 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1nia s PHE 64 CO 0.08 -0.44 0.00 0.09 -0.10 0.00 0.00 175.22 174.86 1nia n ASN 65 N 5.09 -4.28 0.00 1.36 4.13 0.12 -3.49 115.26 118.19 1nia n ASN 65 Ca -0.12 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1nia n ASN 65 Cb 0.49 -2.65 0.00 0.00 -1.54 0.00 0.00 39.78 36.08 1nia n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nia n GLY 66 N -1.65 0.76 3.28 7.41 0.00 -1.26 -4.98 105.19 108.75 1nia n GLY 66 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1nia n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nia s SER 67 N -2.53 1.71 -0.21 1.61 1.04 -1.23 -5.02 113.70 109.08 1nia s SER 67 Ca 0.00 -1.12 -0.00 0.00 0.48 0.00 0.00 55.95 55.31 1nia s SER 67 Cb 0.00 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.19 1nia s SER 67 CO 0.00 -0.44 -0.04 -0.69 0.98 0.00 0.00 173.24 173.06 1nia s VAL 68 N -3.42 1.20 0.84 5.02 1.01 -1.26 -3.59 120.40 120.20 1nia s VAL 68 Ca 0.22 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 1nia s VAL 68 Cb 0.04 -1.49 0.20 0.00 0.00 0.00 0.00 36.38 35.13 1nia s VAL 68 CO 0.04 -0.06 1.03 -0.81 0.00 0.00 0.00 175.10 175.30 1nia n PRO 69 N 4.81 -1.49 -1.55 2.72 -0.04 -1.26 -2.23 135.00 135.96 1nia n PRO 69 Ca -0.11 -1.60 -0.29 0.00 -0.04 0.00 0.00 63.50 61.46 1nia n PRO 69 Cb 0.46 -1.16 0.12 0.00 -0.04 0.00 0.00 33.50 32.87 1nia n PRO 69 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1nia s GLY 70 N -5.03 1.59 0.67 0.55 0.00 0.25 -4.78 107.32 100.57 1nia s GLY 70 Ca 0.60 -0.43 -0.16 0.00 0.00 0.00 0.00 44.72 44.73 1nia s GLY 70 CO 0.43 0.09 1.17 2.56 0.00 0.00 0.00 173.10 177.35 1nia s PRO 71 N -5.25 2.57 0.04 2.90 0.04 -1.26 -4.55 135.00 129.49 1nia s PRO 71 Ca 0.63 1.63 -0.27 0.00 0.04 0.00 0.00 61.00 63.02 1nia s PRO 71 Cb -0.15 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1nia s PRO 71 CO 0.53 -1.47 0.87 -1.17 0.04 0.00 0.00 177.00 175.80 1nia s LEU 72 N -4.80 4.43 -0.10 -3.56 2.96 -1.26 -4.30 118.68 112.05 1nia s LEU 72 Ca 0.72 1.57 -0.04 0.00 -0.22 0.00 0.00 54.13 56.16 1nia s LEU 72 Cb -0.26 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1nia s LEU 72 CO 0.41 -0.09 0.05 -0.04 -1.32 0.00 0.00 176.35 175.36 1nia s MET 73 N 0.31 3.15 -0.08 1.98 -1.94 -1.04 -4.62 119.30 117.06 1nia s MET 73 Ca 0.44 -0.32 0.02 0.00 -1.71 0.00 0.00 55.69 54.12 1nia s MET 73 Cb -0.21 -2.92 0.01 0.00 2.01 0.00 0.00 34.83 33.72 1nia s MET 73 CO 0.26 0.72 -0.13 0.08 -0.01 0.00 0.00 175.02 175.93 1nia s VAL 74 N -0.90 1.23 0.31 -6.03 1.01 -1.26 0.21 120.40 114.97 1nia s VAL 74 Ca 0.14 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1nia s VAL 74 Cb -0.12 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1nia s VAL 74 CO 0.03 0.38 0.35 0.68 0.00 0.00 0.00 175.10 176.54 1nia s VAL 75 N 0.79 0.00 0.24 2.92 -7.23 -0.43 -4.99 120.40 111.70 1nia s VAL 75 Ca -0.12 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 58.35 1nia s VAL 75 Cb -0.16 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1nia s VAL 75 CO 0.02 0.00 0.05 -1.00 -0.31 0.00 0.00 175.10 173.86 1nia s HIS 76 N -3.45 2.84 0.11 2.82 3.76 -1.26 -0.41 115.29 119.70 1nia s HIS 76 Ca 0.35 -0.17 -0.36 0.00 -0.15 0.00 0.00 55.06 54.73 1nia s HIS 76 Cb 0.02 -1.29 -0.16 0.00 1.11 0.00 0.00 32.58 32.26 1nia s HIS 76 CO 0.21 0.57 1.42 -1.91 -0.85 0.00 0.00 174.74 174.18 1nia n GLU 77 N -0.79 1.49 -0.99 1.40 2.13 0.45 -1.52 120.64 122.81 1nia n GLU 77 Ca -0.08 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1nia n GLU 77 Cb 0.58 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.06 1nia n GLU 77 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nia n ASN 78 N 2.84 -2.74 -4.89 4.31 5.03 0.11 -4.79 115.26 115.13 1nia n ASN 78 Ca 0.18 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.33 1nia n ASN 78 Cb 0.22 -0.72 0.04 0.00 -1.02 0.00 0.00 39.78 38.31 1nia n ASN 78 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1nia s ASP 79 N -2.16 5.55 -0.13 6.41 1.01 -0.57 -4.65 116.67 122.13 1nia s ASP 79 Ca 0.00 1.07 -0.04 0.00 0.71 0.00 0.00 52.55 54.29 1nia s ASP 79 Cb 0.00 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 1nia s ASP 79 CO 0.00 -1.24 0.02 -0.31 0.21 0.00 0.00 175.17 173.85 1nia s TYR 80 N -3.27 3.17 -0.23 4.23 1.51 0.64 -1.63 117.35 121.78 1nia s TYR 80 Ca 0.57 0.06 -0.08 0.00 -1.01 0.00 0.00 57.07 56.61 1nia s TYR 80 Cb -0.11 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1nia s TYR 80 CO 0.50 0.28 0.10 0.08 -1.11 0.00 0.00 175.55 175.40 1nia s VAL 81 N -0.26 4.75 -0.26 0.71 1.01 0.37 -0.42 120.40 126.31 1nia s VAL 81 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1nia s VAL 81 Cb -0.12 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.10 1nia s VAL 81 CO 0.02 0.36 -0.08 -0.70 0.00 0.00 0.00 175.10 174.70 1nia s GLU 82 N 1.17 2.49 -0.13 2.72 2.12 -0.25 -1.50 118.70 125.31 1nia s GLU 82 Ca 0.05 -1.20 -0.02 0.00 0.36 0.00 0.00 54.97 54.16 1nia s GLU 82 Cb -0.14 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1nia s GLU 82 CO 0.04 -0.51 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.03 1nia s LEU 83 N 1.20 3.21 -0.37 2.70 2.96 0.41 -1.05 118.68 127.74 1nia s LEU 83 Ca -0.05 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.65 1nia s LEU 83 Cb -0.18 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1nia s LEU 83 CO -0.05 0.22 0.20 -0.60 -1.32 0.00 0.00 176.35 174.80 1nia s ARG 84 N 0.06 2.81 -0.25 1.98 3.52 -0.16 -0.99 118.95 125.93 1nia s ARG 84 Ca -0.01 -1.09 -0.09 0.00 -0.13 0.00 0.00 55.73 54.42 1nia s ARG 84 Cb -0.14 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 1nia s ARG 84 CO 0.03 -0.70 0.12 -1.17 -0.81 0.00 0.00 175.30 172.77 1nia s LEU 85 N 1.54 3.75 -0.09 -0.88 2.96 0.78 -1.41 118.68 125.34 1nia s LEU 85 Ca 0.02 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1nia s LEU 85 Cb -0.19 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1nia s LEU 85 CO 0.06 -0.00 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.34 1nia s ILE 86 N 1.44 3.16 -0.45 6.68 1.01 -0.49 -0.92 121.20 131.63 1nia s ILE 86 Ca 0.06 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1nia s ILE 86 Cb -0.15 -2.29 0.12 0.00 0.01 0.00 0.00 42.46 40.15 1nia s ILE 86 CO 0.06 0.56 0.21 0.21 0.00 0.00 0.00 174.94 175.97 1nia s ASN 87 N -0.19 4.13 0.66 3.58 3.84 0.02 -0.73 114.94 126.27 1nia s ASN 87 Ca 0.00 -2.65 -0.16 0.00 0.21 0.00 0.00 52.86 50.26 1nia s ASN 87 Cb -0.13 -1.37 0.00 0.00 -0.55 0.00 0.00 41.25 39.20 1nia s ASN 87 CO 0.03 -0.28 1.19 -2.16 -2.79 0.00 0.00 177.10 173.09 1nia s PRO 88 N 0.25 2.58 0.00 0.43 0.04 -1.26 0.12 135.00 137.16 1nia s PRO 88 Ca 0.16 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1nia s PRO 88 Cb -0.24 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1nia s PRO 88 CO -0.03 -1.49 0.94 -0.40 0.04 0.00 0.00 177.00 176.06 1nia n ASP 89 N -2.22 0.00 0.17 6.66 5.75 -1.26 -1.58 116.55 124.06 1nia n ASP 89 Ca 0.13 0.44 0.13 0.00 -0.01 0.00 0.00 54.79 55.49 1nia n ASP 89 Cb 0.50 -0.44 0.40 0.00 -1.03 0.00 0.00 41.12 40.55 1nia n ASP 89 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1nia h THR 90 N 0.00 0.00 -4.41 2.12 1.35 -1.95 -3.45 112.91 106.56 1nia h THR 90 Ca 0.00 -0.57 -0.48 0.00 -0.55 0.00 0.00 66.41 64.81 1nia h THR 90 Cb 0.03 1.52 0.09 0.00 -1.73 0.00 0.00 68.15 68.06 1nia h THR 90 CO 0.00 0.00 0.38 0.20 -0.25 0.00 0.00 175.52 175.85 1nia s ASN 91 N -5.09 5.02 -0.00 5.36 0.01 -0.62 -5.00 114.94 114.61 1nia s ASN 91 Ca 0.07 0.90 0.01 0.00 -0.71 0.00 0.00 52.86 53.13 1nia s ASN 91 Cb 0.09 -1.57 -0.02 0.00 0.41 0.00 0.00 41.25 40.16 1nia s ASN 91 CO 0.57 -1.58 0.04 0.35 -1.51 0.00 0.00 177.10 174.97 1nia n THR 92 N -3.10 0.00 -4.26 1.60 -2.24 -1.26 -4.76 114.28 100.26 1nia n THR 92 Ca 0.07 -0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1nia n THR 92 Cb 0.59 0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 1nia n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nia s LEU 93 N -3.00 3.29 0.15 3.22 1.43 -1.26 -4.86 118.68 117.66 1nia s LEU 93 Ca -0.00 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.29 1nia s LEU 93 Cb 0.01 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 1nia s LEU 93 CO 0.06 0.01 0.80 -0.22 0.23 0.00 0.00 176.35 177.23 1nia s LEU 94 N -3.55 4.57 0.26 1.79 0.20 -1.26 -4.20 118.68 116.49 1nia s LEU 94 Ca 0.31 1.65 0.01 0.00 0.69 0.00 0.00 54.13 56.79 1nia s LEU 94 Cb -0.07 -3.32 -0.04 0.00 -0.43 0.00 0.00 46.19 42.32 1nia s LEU 94 CO 0.20 0.16 0.14 -1.00 -0.29 0.00 0.00 176.35 175.57 1nia s HIS 95 N -0.93 1.44 0.00 5.38 3.76 -0.83 -4.89 115.29 119.22 1nia s HIS 95 Ca 0.37 -1.35 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 1nia s HIS 95 Cb -0.23 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.71 1nia s HIS 95 CO 0.26 -0.54 0.00 0.27 -0.85 0.00 0.00 174.74 173.88 1nia n ASN 96 N -0.61 0.00 -3.73 1.40 6.94 -1.26 -0.49 115.26 117.51 1nia n ASN 96 Ca 0.02 -0.70 -0.12 0.00 -0.02 0.00 0.00 54.58 53.75 1nia n ASN 96 Cb 0.65 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.97 1nia n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1nia s ILE 97 N -2.97 -0.01 -0.12 1.53 2.07 -1.26 -4.31 121.20 116.12 1nia s ILE 97 Ca 0.00 0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.30 1nia s ILE 97 Cb 0.00 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.08 1nia s ILE 97 CO 0.00 0.02 -0.17 -0.62 -1.91 0.00 0.00 174.94 172.25 1nia s ASP 98 N 0.65 2.68 -0.15 4.50 -1.08 -0.03 -1.41 116.67 121.83 1nia s ASP 98 Ca -0.04 -0.49 -0.05 0.00 -0.52 0.00 0.00 52.55 51.45 1nia s ASP 98 Cb -0.05 -1.21 -0.03 0.00 -1.46 0.00 0.00 42.92 40.16 1nia s ASP 98 CO -0.04 0.03 0.02 -0.36 0.52 0.00 0.00 175.17 175.33 1nia s PHE 99 N 0.98 3.17 -0.88 -5.34 0.40 -0.30 -0.73 117.98 115.28 1nia s PHE 99 Ca -0.06 -0.01 0.24 0.00 -0.60 0.00 0.00 56.93 56.50 1nia s PHE 99 Cb -0.15 -1.97 0.96 0.00 0.51 0.00 0.00 43.02 42.37 1nia s PHE 99 CO -0.03 0.17 1.75 0.72 0.70 0.00 0.00 175.22 178.54 1nia n HIS 100 N 3.20 0.30 0.20 0.36 8.25 -0.01 -2.90 115.22 124.62 1nia n HIS 100 Ca -0.17 0.10 0.12 0.00 -0.26 0.00 0.00 57.72 57.50 1nia n HIS 100 Cb 0.53 -0.66 0.08 0.00 1.12 0.00 0.00 29.99 31.06 1nia n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nia h ALA 101 N 2.68 0.68 -2.33 -1.41 0.00 -1.93 -3.48 119.26 113.48 1nia h ALA 101 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1nia h ALA 101 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1nia h ALA 101 CO 0.00 0.00 0.06 0.00 0.00 0.00 0.00 179.25 179.31 1nia s ALA 102 N -3.29 3.42 -0.20 0.00 0.00 -1.14 -4.56 121.76 115.99 1nia s ALA 102 Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1nia s ALA 102 Cb 0.08 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1nia s ALA 102 CO 0.74 -0.04 -0.08 0.99 0.00 0.00 0.00 175.76 177.37 1nia s THR 103 N -2.40 3.16 0.00 0.00 2.01 -1.26 -4.67 115.64 112.48 1nia s THR 103 Ca 0.49 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1nia s THR 103 Cb -0.10 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1nia s THR 103 CO 0.34 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1nia n GLY 104 N 4.49 2.15 4.04 4.40 0.00 -1.26 -4.93 105.19 114.08 1nia n GLY 104 Ca -0.18 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 1nia n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia n ALA 105 N 1.96 -1.93 -3.87 4.61 0.00 -1.26 -1.10 120.51 118.92 1nia n ALA 105 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 1nia n ALA 105 Cb 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 19.45 17.90 1nia n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nia n LEU 106 N -4.43 -2.67 0.00 0.00 4.32 -1.26 -0.79 117.00 112.16 1nia n LEU 106 Ca -0.27 -0.76 0.00 0.00 -0.02 0.00 0.00 56.01 54.96 1nia n LEU 106 Cb 0.67 -2.61 0.00 0.00 -1.62 0.00 0.00 43.42 39.85 1nia n LEU 106 CO 0.78 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 178.05 1nia n GLY 107 N -1.72 0.48 0.00 -0.72 0.00 -0.26 -1.98 105.19 100.99 1nia n GLY 107 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1nia n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nia n GLY 108 N -1.83 2.26 0.38 -0.02 0.00 0.02 -1.15 105.19 104.86 1nia n GLY 108 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1nia n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nia h GLY 109 N 0.00 1.21 2.00 -0.02 0.00 -0.58 0.15 103.07 105.83 1nia h GLY 109 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1nia h GLY 109 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1nia h ALA 110 N 1.61 1.00 -0.00 3.60 0.00 -1.69 -3.23 119.26 120.55 1nia h ALA 110 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1nia h ALA 110 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1nia h ALA 110 CO -0.23 0.00 -0.64 1.28 0.00 0.00 0.00 179.25 179.66 1nia n LEU 111 N -2.92 1.12 -0.32 0.00 4.32 -0.01 -4.63 117.00 114.55 1nia n LEU 111 Ca 0.02 -0.59 0.08 0.00 -0.02 0.00 0.00 56.01 55.50 1nia n LEU 111 Cb 0.36 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.33 1nia n LEU 111 CO 0.28 0.24 0.52 0.35 -1.22 0.00 0.00 177.39 177.57 1nia n THR 112 N -0.93 2.04 -1.99 -5.08 -2.24 -0.89 -4.97 114.28 100.22 1nia n THR 112 Ca 0.05 -2.55 -0.43 0.00 -2.27 0.00 0.00 64.05 58.85 1nia n THR 112 Cb 0.30 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1nia n THR 112 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nia s GLN 113 N -3.00 3.76 -0.09 -0.78 -0.21 -1.26 -4.22 119.66 113.86 1nia s GLN 113 Ca 0.35 1.84 0.02 0.00 0.02 0.00 0.00 55.36 57.59 1nia s GLN 113 Cb 0.32 -4.10 0.01 0.00 1.00 0.00 0.00 33.01 30.24 1nia s GLN 113 CO 0.00 -1.35 -0.14 0.14 -2.12 0.00 0.00 175.29 171.82 1nia s VAL 114 N 5.51 1.36 0.62 1.09 -7.23 0.36 -4.99 120.40 117.12 1nia s VAL 114 Ca 0.78 -0.59 -0.06 0.00 -1.81 0.00 0.00 61.98 60.30 1nia s VAL 114 Cb -0.28 -1.24 0.02 0.00 0.56 0.00 0.00 36.38 35.44 1nia s VAL 114 CO 0.32 0.41 0.92 0.20 -0.31 0.00 0.00 175.10 176.64 1nia s ASN 115 N 0.79 5.39 0.19 4.85 0.01 -1.26 -1.96 114.94 122.96 1nia s ASN 115 Ca -0.11 0.62 -0.33 0.00 -0.71 0.00 0.00 52.86 52.33 1nia s ASN 115 Cb -0.16 -1.52 -0.13 0.00 0.41 0.00 0.00 41.25 39.85 1nia s ASN 115 CO 0.02 -1.20 1.58 -2.65 -1.51 0.00 0.00 177.10 173.34 1nia n PRO 116 N -2.66 2.30 -0.33 -0.60 -0.02 -1.26 -0.80 135.00 131.63 1nia n PRO 116 Ca 0.05 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1nia n PRO 116 Cb 0.58 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1nia n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nia n GLY 117 N 3.22 0.71 3.64 -1.23 0.00 0.33 -4.67 105.19 107.18 1nia n GLY 117 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1nia n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nia s GLU 118 N -0.67 2.06 0.20 1.61 2.02 0.02 -4.86 118.70 119.07 1nia s GLU 118 Ca 0.00 -1.83 -0.11 0.00 0.02 0.00 0.00 54.97 53.05 1nia s GLU 118 Cb 0.00 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 1nia s GLU 118 CO 0.00 0.07 0.37 -1.83 0.02 0.00 0.00 175.26 173.89 1nia s GLU 119 N -3.73 1.33 0.18 1.61 -1.05 -1.26 -0.80 118.70 114.98 1nia s GLU 119 Ca 0.36 -1.20 -0.23 0.00 -0.15 0.00 0.00 54.97 53.74 1nia s GLU 119 Cb 0.02 0.42 0.06 0.00 -0.44 0.00 0.00 34.13 34.19 1nia s GLU 119 CO 0.19 -0.52 0.64 -0.08 0.95 0.00 0.00 175.26 176.44 1nia s THR 120 N -3.99 0.00 -0.08 1.83 -1.32 -0.10 -4.99 115.64 106.99 1nia s THR 120 Ca 0.20 -0.25 -0.00 0.00 -1.21 0.00 0.00 61.69 60.43 1nia s THR 120 Cb 0.02 -1.25 0.03 0.00 -1.51 0.00 0.00 72.50 69.78 1nia s THR 120 CO 0.04 0.00 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.52 1nia s THR 121 N -3.77 0.62 0.06 5.08 2.01 -1.26 -0.15 115.64 118.24 1nia s THR 121 Ca 0.04 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1nia s THR 121 Cb -0.02 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1nia s THR 121 CO -0.08 0.29 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.77 1nia s LEU 122 N 1.63 2.81 -0.02 4.42 2.96 -0.16 -4.95 118.68 125.37 1nia s LEU 122 Ca 0.01 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1nia s LEU 122 Cb -0.13 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1nia s LEU 122 CO -0.05 0.23 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.55 1nia s ARG 123 N -1.75 0.73 0.06 1.98 3.52 -1.26 -0.44 118.95 121.78 1nia s ARG 123 Ca 0.17 -0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 55.46 1nia s ARG 123 Cb -0.11 -0.71 0.01 0.00 -1.56 0.00 0.00 34.95 32.58 1nia s ARG 123 CO 0.08 0.06 0.23 -0.59 -0.81 0.00 0.00 175.30 174.27 1nia s PHE 124 N 0.30 0.02 -0.19 5.12 -0.12 -0.56 -4.97 117.98 117.58 1nia s PHE 124 Ca -0.04 -0.27 -0.16 0.00 -0.05 0.00 0.00 56.93 56.41 1nia s PHE 124 Cb -0.08 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1nia s PHE 124 CO 0.00 -0.49 0.38 0.21 -0.05 0.00 0.00 175.22 175.27 1nia s LYS 125 N -2.91 4.21 -1.27 1.99 2.20 -1.26 -0.48 119.74 122.22 1nia s LYS 125 Ca -0.02 0.20 -0.18 0.00 -0.36 0.00 0.00 55.97 55.60 1nia s LYS 125 Cb 0.00 -3.50 0.08 0.00 -1.51 0.00 0.00 37.83 32.90 1nia s LYS 125 CO -0.06 0.04 1.68 0.00 -0.36 0.00 0.00 175.35 176.65 1nia s ALA 126 N 1.07 3.35 -0.56 3.13 0.00 -0.64 -4.74 121.76 123.38 1nia s ALA 126 Ca 0.19 -2.92 0.26 0.00 0.00 0.00 0.00 51.96 49.48 1nia s ALA 126 Cb -0.14 -4.58 0.75 0.00 0.00 0.00 0.00 23.12 19.15 1nia s ALA 126 CO 0.07 -3.26 1.74 1.79 0.00 0.00 0.00 175.76 176.10 1nia h THR 127 N 5.56 0.00 -3.35 0.00 1.35 -1.87 0.30 112.91 114.90 1nia h THR 127 Ca 0.41 -0.59 -0.64 0.00 -0.55 0.00 0.00 66.41 65.04 1nia h THR 127 Cb 0.88 1.55 -0.33 0.00 -1.73 0.00 0.00 68.15 68.52 1nia h THR 127 CO 1.43 0.00 -0.87 -0.54 -0.25 0.00 0.00 175.52 175.29 1nia s LYS 128 N -3.20 2.76 0.38 4.72 1.02 -1.26 -4.78 119.74 119.38 1nia s LYS 128 Ca 0.08 -0.78 -0.24 0.00 0.02 0.00 0.00 55.97 55.05 1nia s LYS 128 Cb 0.10 -2.11 -0.10 0.00 -0.52 0.00 0.00 37.83 35.20 1nia s LYS 128 CO 0.58 0.14 0.98 -1.25 -0.92 0.00 0.00 175.35 174.89 1nia s PRO 129 N 0.42 4.34 0.00 -1.68 0.04 -1.26 -4.81 135.00 132.04 1nia s PRO 129 Ca -0.18 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1nia s PRO 129 Cb -0.17 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1nia s PRO 129 CO 0.08 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1nia n GLY 130 N 0.14 1.04 3.73 0.56 0.00 -0.05 -3.46 105.19 107.15 1nia n GLY 130 Ca 0.04 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1nia n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nia s VAL 131 N -1.17 5.22 0.21 1.61 -7.23 0.69 -0.53 120.40 119.20 1nia s VAL 131 Ca 0.00 0.12 0.09 0.00 -1.81 0.00 0.00 61.98 60.38 1nia s VAL 131 Cb 0.00 -3.35 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 1nia s VAL 131 CO 0.00 0.48 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.74 1nia s PHE 132 N 0.08 1.94 0.13 2.82 0.40 0.13 -4.38 117.98 119.10 1nia s PHE 132 Ca 0.08 -0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 1nia s PHE 132 Cb -0.12 -0.90 -0.06 0.00 0.51 0.00 0.00 43.02 42.45 1nia s PHE 132 CO -0.00 0.45 0.48 0.08 0.70 0.00 0.00 175.22 176.94 1nia s VAL 133 N -2.48 4.97 -0.02 -0.44 1.01 -1.26 -0.58 120.40 121.61 1nia s VAL 133 Ca 0.22 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1nia s VAL 133 Cb -0.04 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1nia s VAL 133 CO 0.09 0.22 -0.10 -0.72 0.00 0.00 0.00 175.10 174.59 1nia s TYR 134 N -1.49 0.97 0.08 5.22 -0.85 -0.64 -0.83 117.35 119.81 1nia s TYR 134 Ca 0.37 -0.21 -0.19 0.00 -0.52 0.00 0.00 57.07 56.53 1nia s TYR 134 Cb -0.14 -0.65 0.04 0.00 0.38 0.00 0.00 41.96 41.59 1nia s TYR 134 CO 0.19 -0.05 0.45 -3.38 -1.52 0.00 0.00 175.55 171.24 1nia s HIS 135 N -0.08 -0.30 0.43 -3.49 -3.43 0.09 -0.74 115.29 107.78 1nia s HIS 135 Ca 0.01 0.16 -0.23 0.00 -0.80 0.00 0.00 55.06 54.20 1nia s HIS 135 Cb -0.06 0.29 -0.08 0.00 -1.43 0.00 0.00 32.58 31.30 1nia s HIS 135 CO -0.00 -0.66 1.12 0.00 -2.00 0.00 0.00 174.74 173.20 1nia n ALA 137 N -0.30 0.43 -2.07 0.00 0.00 -1.26 -4.51 120.51 112.79 1nia n ALA 137 Ca 0.06 -2.36 -0.41 0.00 0.00 0.00 0.00 53.44 50.73 1nia n ALA 137 Cb 0.49 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 1nia n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1nia s PRO 138 N -0.23 4.52 0.06 0.00 0.02 -1.26 -4.87 135.00 133.25 1nia s PRO 138 Ca 0.33 1.82 -0.36 0.00 0.02 0.00 0.00 61.00 62.81 1nia s PRO 138 Cb 0.20 -3.26 -0.15 0.00 0.02 0.00 0.00 34.50 31.31 1nia s PRO 138 CO -0.18 -0.04 1.50 -1.91 -0.33 0.00 0.00 177.00 176.04 1nia n GLU 139 N 2.51 1.55 0.00 5.54 4.07 -1.26 -1.49 120.64 131.57 1nia n GLU 139 Ca 0.04 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 1nia n GLU 139 Cb 0.45 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.57 1nia n GLU 139 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nia n GLY 140 N 3.11 2.95 2.60 8.31 0.00 -1.26 -4.78 105.19 116.13 1nia n GLY 140 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 1nia n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nia n MET 141 N -1.05 2.27 0.43 1.61 0.00 -0.55 -4.95 117.12 114.88 1nia n MET 141 Ca 0.00 -3.70 -0.17 0.00 0.00 0.00 0.00 57.70 53.83 1nia n MET 141 Cb 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 33.22 31.34 1nia n MET 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1nia h VAL 142 N 4.54 0.00 -0.04 3.17 2.07 -1.79 -2.72 116.25 121.47 1nia h VAL 142 Ca 0.01 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1nia h VAL 142 Cb 1.34 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1nia h VAL 142 CO 0.36 0.00 0.06 1.55 0.02 0.00 0.00 177.57 179.56 1nia h PRO 143 N -1.13 0.00 -0.23 1.57 0.13 -1.92 -2.38 132.00 128.04 1nia h PRO 143 Ca -0.11 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.86 1nia h PRO 143 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1nia h PRO 143 CO 0.19 0.00 -0.45 2.35 -0.23 0.00 0.00 178.00 179.85 1nia h TRP 144 N 0.00 0.89 -0.22 1.56 7.01 -1.91 -1.91 115.95 121.37 1nia h TRP 144 Ca 0.02 -0.32 -0.18 0.00 2.11 0.00 0.00 58.89 60.51 1nia h TRP 144 Cb 0.14 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1nia h TRP 144 CO 0.00 1.11 -0.58 0.45 -2.79 0.00 0.00 178.44 176.63 1nia h HIS 145 N 0.42 1.02 -0.32 2.65 3.86 -1.15 -2.92 115.15 118.71 1nia h HIS 145 Ca 0.01 -0.39 -0.03 0.00 -1.16 0.00 0.00 60.37 58.80 1nia h HIS 145 Cb 1.06 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1nia h HIS 145 CO 0.08 1.21 0.10 0.28 0.86 0.00 0.00 177.93 180.46 1nia h VAL 146 N 0.53 1.21 0.00 2.45 2.07 -1.48 -2.38 116.25 118.66 1nia h VAL 146 Ca -0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1nia h VAL 146 Cb 1.20 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1nia h VAL 146 CO 0.13 0.23 0.00 0.35 0.02 0.00 0.00 177.57 178.29 1nia n THR 147 N -4.67 0.13 0.46 2.57 -2.24 -0.72 -1.82 114.28 107.99 1nia n THR 147 Ca -0.02 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1nia n THR 147 Cb 0.17 -0.67 0.23 0.00 -2.10 0.00 0.00 70.33 67.96 1nia n THR 147 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nia n SER 148 N -1.12 2.63 0.00 3.42 7.64 -0.93 -4.60 113.62 120.67 1nia n SER 148 Ca 0.14 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1nia n SER 148 Cb 0.12 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1nia n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nia n GLY 149 N 1.29 0.77 2.95 0.23 0.00 -0.75 -1.96 105.19 107.72 1nia n GLY 149 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1nia n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nia n MET 150 N -2.33 3.34 -3.47 1.61 0.00 -0.96 -4.59 117.12 110.72 1nia n MET 150 Ca 0.00 -3.28 -0.11 0.00 0.00 0.00 0.00 57.70 54.31 1nia n MET 150 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 33.22 30.12 1nia n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1nia s ASN 151 N 2.00 -0.50 0.00 6.12 2.20 -1.26 -2.28 114.94 121.22 1nia s ASN 151 Ca 0.43 -0.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.30 1nia s ASN 151 Cb 0.09 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 1nia s ASN 151 CO -0.02 -0.93 0.00 0.61 -2.94 0.00 0.00 177.10 173.82 1nia n GLY 152 N -0.36 2.77 3.30 0.45 0.00 0.08 -0.58 105.19 110.85 1nia n GLY 152 Ca -0.14 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 1nia n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia s ALA 153 N -1.00 -0.65 -0.03 4.61 0.00 -1.26 -1.62 121.76 121.81 1nia s ALA 153 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1nia s ALA 153 Cb 0.00 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.79 1nia s ALA 153 CO 0.00 -0.61 -0.02 -1.50 0.00 0.00 0.00 175.76 173.62 1nia s ILE 154 N -3.84 0.33 -0.20 0.00 2.07 0.26 -2.50 121.20 117.32 1nia s ILE 154 Ca 0.05 -0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.18 1nia s ILE 154 Cb 0.03 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 1nia s ILE 154 CO -0.10 0.16 0.07 -0.32 -1.91 0.00 0.00 174.94 172.84 1nia s MET 155 N 0.76 3.91 -0.42 3.50 -2.45 0.13 0.18 119.30 124.92 1nia s MET 155 Ca -0.09 -0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 53.95 1nia s MET 155 Cb -0.12 -3.26 0.11 0.00 1.25 0.00 0.00 34.83 32.81 1nia s MET 155 CO -0.01 0.16 0.22 0.08 1.05 0.00 0.00 175.02 176.53 1nia s VAL 156 N 0.69 3.38 0.26 10.11 1.01 0.31 -1.31 120.40 134.84 1nia s VAL 156 Ca 0.04 -2.06 -0.29 0.00 0.00 0.00 0.00 61.98 59.66 1nia s VAL 156 Cb -0.13 -3.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 1nia s VAL 156 CO 0.02 -0.71 1.00 -0.76 0.00 0.00 0.00 175.10 174.65 1nia s LEU 157 N 1.12 4.58 0.62 3.92 1.43 0.45 -0.87 118.68 129.94 1nia s LEU 157 Ca 0.08 2.06 -0.19 0.00 -1.03 0.00 0.00 54.13 55.05 1nia s LEU 157 Cb -0.23 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 1nia s LEU 157 CO -0.04 0.02 1.25 -2.84 0.23 0.00 0.00 176.35 174.98 1nia s PRO 158 N -1.36 2.79 0.56 1.29 0.02 -1.26 -0.41 135.00 136.64 1nia s PRO 158 Ca 0.43 1.95 0.25 0.00 0.02 0.00 0.00 61.00 63.65 1nia s PRO 158 Cb -0.28 -1.90 1.54 0.00 0.02 0.00 0.00 34.50 33.88 1nia s PRO 158 CO 0.35 -1.38 2.11 0.00 -0.33 0.00 0.00 177.00 177.75 1nia h ARG 159 N 0.76 0.00 -0.53 5.54 3.08 -1.88 -1.44 114.38 119.91 1nia h ARG 159 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1nia h ARG 159 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1nia h ARG 159 CO 0.54 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.04 1nia n ASP 160 N -4.09 5.41 -0.18 7.04 5.75 -1.26 -0.91 116.55 128.30 1nia n ASP 160 Ca 0.02 -2.91 0.02 0.00 -0.01 0.00 0.00 54.79 51.90 1nia n ASP 160 Cb 0.29 -0.66 -0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1nia n ASP 160 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nia n GLY 161 N 0.48 -2.12 3.81 6.12 0.00 -0.54 -4.83 105.19 108.11 1nia n GLY 161 Ca 0.27 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 1nia n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nia s LEU 162 N 0.00 3.91 0.07 0.99 1.43 -1.26 -4.53 118.68 119.29 1nia s LEU 162 Ca 0.00 1.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 1nia s LEU 162 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 1nia s LEU 162 CO 0.00 -0.53 -0.10 -0.54 0.23 0.00 0.00 176.35 175.41 1nia s LYS 163 N -3.18 0.71 0.00 1.70 -0.14 -1.26 -1.44 119.74 116.13 1nia s LYS 163 Ca 0.64 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 1nia s LYS 163 Cb -0.12 -0.52 0.00 0.00 -1.68 0.00 0.00 37.83 35.51 1nia s LYS 163 CO 0.16 0.10 0.00 -0.40 -0.76 0.00 0.00 175.35 174.45 1nia n ASP 164 N 1.13 0.00 0.11 2.83 5.68 0.34 -4.75 116.55 121.89 1nia n ASP 164 Ca -0.20 -1.00 0.20 0.00 -0.50 0.00 0.00 54.79 53.29 1nia n ASP 164 Cb 0.55 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.29 1nia n ASP 164 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1nia h GLU 165 N 0.00 0.00 -0.36 0.11 9.09 -1.89 -2.00 114.58 119.52 1nia h GLU 165 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 1nia h GLU 165 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 1nia h GLU 165 CO 0.00 0.00 0.03 1.63 0.05 0.00 0.00 179.01 180.72 1nia n LYS 166 N -3.70 2.73 -0.89 1.06 5.02 -1.26 -4.96 118.16 116.16 1nia n LYS 166 Ca 0.06 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.38 1nia n LYS 166 Cb 0.58 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1nia n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nia n GLY 167 N -0.64 0.50 3.85 0.72 0.00 -0.75 -5.00 105.19 103.87 1nia n GLY 167 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1nia n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nia s GLN 168 N -0.52 3.98 0.35 1.61 -1.52 -1.26 -4.74 119.66 117.56 1nia s GLN 168 Ca 0.00 0.65 -0.28 0.00 -1.95 0.00 0.00 55.36 53.78 1nia s GLN 168 Cb 0.00 -2.43 -0.12 0.00 -0.22 0.00 0.00 33.01 30.24 1nia s GLN 168 CO 0.00 0.14 1.38 -2.30 -0.25 0.00 0.00 175.29 174.27 1nia n PRO 169 N -0.43 2.35 -3.94 2.91 -0.02 -1.26 -0.50 135.00 134.10 1nia n PRO 169 Ca 0.03 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 62.05 1nia n PRO 169 Cb 0.53 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 1nia n PRO 169 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nia s LEU 170 N -1.32 1.98 -0.15 2.45 1.43 -0.52 -4.74 118.68 117.81 1nia s LEU 170 Ca 0.56 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1nia s LEU 170 Cb -0.53 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1nia s LEU 170 CO 0.62 -0.17 -0.12 -0.89 0.23 0.00 0.00 176.35 176.02 1nia s THR 171 N 1.51 3.08 -0.07 5.49 2.01 -1.26 -4.03 115.64 122.37 1nia s THR 171 Ca -0.01 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1nia s THR 171 Cb -0.16 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1nia s THR 171 CO -0.08 0.51 0.11 -0.72 -0.69 0.00 0.00 174.62 173.75 1nia s TYR 172 N 0.56 3.46 -0.01 4.92 -0.85 -1.26 -4.77 117.35 119.40 1nia s TYR 172 Ca -0.07 0.38 0.11 0.00 -0.52 0.00 0.00 57.07 56.96 1nia s TYR 172 Cb -0.15 -1.85 -0.22 0.00 0.38 0.00 0.00 41.96 40.11 1nia s TYR 172 CO 0.03 0.64 0.82 -0.44 -1.52 0.00 0.00 175.55 175.08 1nia h ASP 173 N 4.60 0.00 -4.66 -0.18 3.32 -0.86 -3.48 116.42 115.16 1nia h ASP 173 Ca -0.52 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.25 1nia h ASP 173 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 1nia h ASP 173 CO 0.60 0.99 -0.73 -0.54 -1.72 0.00 0.00 179.24 177.84 1nia s LYS 174 N -2.63 0.66 -0.01 3.56 1.02 -1.02 -5.02 119.74 116.30 1nia s LYS 174 Ca -0.03 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.02 1nia s LYS 174 Cb 0.08 -0.36 0.01 0.00 -0.52 0.00 0.00 37.83 37.05 1nia s LYS 174 CO 0.82 0.05 0.00 -1.50 -0.92 0.00 0.00 175.35 173.81 1nia s ILE 175 N -1.96 0.04 0.01 2.17 2.07 -1.26 -1.00 121.20 121.27 1nia s ILE 175 Ca -0.03 0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1nia s ILE 175 Cb -0.06 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.43 1nia s ILE 175 CO -0.01 0.05 -0.08 -0.31 -1.91 0.00 0.00 174.94 172.68 1nia s TYR 176 N 0.44 0.74 -0.26 3.50 2.02 -0.34 -4.59 117.35 118.87 1nia s TYR 176 Ca -0.04 -0.24 -0.06 0.00 -0.37 0.00 0.00 57.07 56.36 1nia s TYR 176 Cb -0.06 -0.46 -0.00 0.00 -0.40 0.00 0.00 41.96 41.04 1nia s TYR 176 CO -0.01 -0.02 0.04 -0.47 -1.57 0.00 0.00 175.55 173.52 1nia s TYR 177 N -0.54 3.08 -0.33 2.71 5.04 0.28 -0.86 117.35 126.72 1nia s TYR 177 Ca -0.00 -0.86 -0.04 0.00 -2.44 0.00 0.00 57.07 53.72 1nia s TYR 177 Cb -0.05 -2.20 0.05 0.00 0.35 0.00 0.00 41.96 40.11 1nia s TYR 177 CO 0.00 -0.52 0.07 0.08 -1.34 0.00 0.00 175.55 173.83 1nia s VAL 178 N 1.51 3.45 -0.31 3.14 1.01 0.90 -4.17 120.40 125.93 1nia s VAL 178 Ca 0.04 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 1nia s VAL 178 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1nia s VAL 178 CO 0.01 -0.17 0.21 -0.83 0.00 0.00 0.00 175.10 174.32 1nia s GLY 179 N 1.37 1.95 -0.10 4.51 0.00 -1.26 -2.02 107.32 111.77 1nia s GLY 179 Ca -0.03 -1.22 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 1nia s GLY 179 CO 0.01 0.71 0.48 1.85 0.00 0.00 0.00 173.10 176.15 1nia s GLU 180 N 1.75 4.30 -0.11 2.90 2.12 -0.64 -1.69 118.70 127.34 1nia s GLU 180 Ca 0.07 0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.88 1nia s GLU 180 Cb -0.17 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.83 1nia s GLU 180 CO 0.11 0.23 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.77 1nia s GLN 181 N 0.39 2.17 -0.21 4.30 2.00 0.81 -4.54 119.66 124.58 1nia s GLN 181 Ca 0.26 -0.54 -0.15 0.00 -2.00 0.00 0.00 55.36 52.93 1nia s GLN 181 Cb -0.16 -1.87 -0.04 0.00 0.80 0.00 0.00 33.01 31.75 1nia s GLN 181 CO 0.11 -0.08 0.34 0.16 -0.50 0.00 0.00 175.29 175.33 1nia s ASP 182 N 1.03 6.36 0.12 6.67 -4.77 -1.26 -1.42 116.67 123.40 1nia s ASP 182 Ca -0.06 0.42 0.07 0.00 -3.30 0.00 0.00 52.55 49.68 1nia s ASP 182 Cb -0.15 -2.20 -0.04 0.00 -1.09 0.00 0.00 42.92 39.44 1nia s ASP 182 CO -0.02 -0.05 -0.07 -0.36 0.70 0.00 0.00 175.17 175.36 1nia s PHE 183 N 1.29 2.77 -0.55 2.11 0.08 -0.33 -4.74 117.98 118.61 1nia s PHE 183 Ca 0.16 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 57.12 1nia s PHE 183 Cb -0.14 -1.42 0.19 0.00 -0.57 0.00 0.00 43.02 41.08 1nia s PHE 183 CO 0.07 0.46 0.49 0.66 -0.10 0.00 0.00 175.22 176.80 1nia n TYR 184 N 0.49 1.33 -2.71 0.36 4.02 -1.26 -1.17 117.16 118.22 1nia n TYR 184 Ca -0.12 -3.83 -0.42 0.00 -0.01 0.00 0.00 57.90 53.52 1nia n TYR 184 Cb 0.53 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 39.55 1nia n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1nia s VAL 185 N -1.06 4.84 0.39 -0.72 1.01 -1.26 -4.72 120.40 118.88 1nia s VAL 185 Ca 0.32 2.04 -0.25 0.00 0.00 0.00 0.00 61.98 64.09 1nia s VAL 185 Cb 0.05 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1nia s VAL 185 CO -0.15 0.10 1.17 -2.84 0.00 0.00 0.00 175.10 173.39 1nia s PRO 186 N 1.38 4.08 0.41 2.72 0.02 -1.26 -4.90 135.00 137.45 1nia s PRO 186 Ca 0.50 1.84 0.06 0.00 0.02 0.00 0.00 61.00 63.42 1nia s PRO 186 Cb -0.20 -2.70 -0.07 0.00 0.02 0.00 0.00 34.50 31.56 1nia s PRO 186 CO 0.24 -0.29 0.02 0.15 -0.33 0.00 0.00 177.00 176.79 1nia s LYS 187 N -2.27 1.94 0.00 5.54 1.02 -1.26 -0.80 119.74 123.92 1nia s LYS 187 Ca 0.56 -2.12 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1nia s LYS 187 Cb -0.31 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1nia s LYS 187 CO 0.39 -0.13 0.00 -0.40 -0.92 0.00 0.00 175.35 174.29 1nia n ASP 188 N -0.98 0.00 -0.21 2.83 5.68 0.06 -4.83 116.55 119.11 1nia n ASP 188 Ca -0.07 -0.75 0.09 0.00 -0.50 0.00 0.00 54.79 53.57 1nia n ASP 188 Cb 0.67 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 41.02 1nia n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1nia h GLU 189 N 0.00 0.69 0.02 0.11 3.07 -2.02 -2.51 114.58 113.94 1nia h GLU 189 Ca 0.00 -0.04 -0.23 0.00 -0.50 0.00 0.00 59.36 58.59 1nia h GLU 189 Cb 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1nia h GLU 189 CO 0.00 0.45 -0.98 0.00 -1.40 0.00 0.00 179.01 177.09 1nia h ALA 190 N 1.61 0.35 0.00 3.43 0.00 -2.06 -3.47 119.26 119.12 1nia h ALA 190 Ca 0.36 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1nia h ALA 190 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nia h ALA 190 CO -0.13 0.86 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1nia n GLY 191 N 1.02 0.84 3.73 0.00 0.00 -0.94 -5.13 105.19 104.71 1nia n GLY 191 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1nia n GLY 191 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nia s ASN 192 N -1.40 7.30 0.15 1.61 0.01 -1.26 -4.73 114.94 116.62 1nia s ASN 192 Ca 0.00 1.56 -0.31 0.00 -0.71 0.00 0.00 52.86 53.40 1nia s ASN 192 Cb 0.00 -2.52 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 1nia s ASN 192 CO 0.00 -0.08 1.48 -0.31 -1.51 0.00 0.00 177.10 176.68 1nia s TYR 193 N 0.26 3.14 0.55 2.20 2.02 -1.26 -0.76 117.35 123.49 1nia s TYR 193 Ca 0.43 0.81 -0.16 0.00 -0.37 0.00 0.00 57.07 57.79 1nia s TYR 193 Cb -0.21 -3.81 -0.06 0.00 -0.40 0.00 0.00 41.96 37.47 1nia s TYR 193 CO 0.25 -2.90 1.01 0.15 -1.57 0.00 0.00 175.55 172.50 1nia s LYS 194 N 0.95 3.75 0.06 -0.62 3.01 0.02 -4.93 119.74 121.98 1nia s LYS 194 Ca 0.66 0.99 0.07 0.00 -1.01 0.00 0.00 55.97 56.69 1nia s LYS 194 Cb -0.41 -2.10 -0.03 0.00 -1.01 0.00 0.00 37.83 34.28 1nia s LYS 194 CO 0.32 -0.44 -0.19 0.15 0.51 0.00 0.00 175.35 175.70 1nia s LYS 195 N -4.20 1.23 0.12 1.68 1.02 -1.26 -4.82 119.74 113.52 1nia s LYS 195 Ca 0.60 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.66 1nia s LYS 195 Cb -0.11 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.79 1nia s LYS 195 CO 0.35 0.34 -0.10 0.71 -0.92 0.00 0.00 175.35 175.73 1nia s TYR 196 N -0.91 1.15 -0.00 3.18 1.51 -1.26 -5.07 117.35 115.95 1nia s TYR 196 Ca 0.06 -0.72 -0.18 0.00 -1.01 0.00 0.00 57.07 55.22 1nia s TYR 196 Cb -0.09 -0.61 -0.34 0.00 -0.11 0.00 0.00 41.96 40.81 1nia s TYR 196 CO 0.02 0.03 0.95 1.05 -1.11 0.00 0.00 175.55 176.49 1nia h GLU 197 N 3.17 0.45 -5.00 -0.62 9.09 -2.01 -3.48 114.58 116.18 1nia h GLU 197 Ca -0.37 -0.77 -0.32 0.00 0.05 0.00 0.00 59.36 57.95 1nia h GLU 197 Cb 1.19 0.29 -0.15 0.00 -1.65 0.00 0.00 28.75 28.43 1nia h GLU 197 CO 0.58 1.37 -0.70 0.95 0.05 0.00 0.00 179.01 181.26 1nia s THR 198 N -2.54 1.07 0.20 -1.06 -4.23 -1.26 -5.04 115.64 102.78 1nia s THR 198 Ca -0.11 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.25 1nia s THR 198 Cb 0.03 -1.89 0.12 0.00 1.34 0.00 0.00 72.50 72.09 1nia s THR 198 CO 0.90 -0.71 1.80 -0.65 -0.54 0.00 0.00 174.62 175.43 1nia h PRO 199 N 2.77 0.62 -0.97 3.99 0.11 -1.94 -2.61 132.00 133.96 1nia h PRO 199 Ca -0.37 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 65.86 1nia h PRO 199 Cb 1.19 -0.14 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 1nia h PRO 199 CO 0.64 0.41 0.61 0.78 -0.21 0.00 0.00 178.00 180.23 1nia h GLY 200 N 0.63 1.53 1.67 -0.55 0.00 -2.00 -0.31 103.07 104.05 1nia h GLY 200 Ca 0.26 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1nia h GLY 200 CO -0.16 0.06 0.01 -2.09 0.00 0.00 0.00 176.54 174.35 1nia h GLU 201 N 0.80 0.42 0.00 4.80 4.81 -1.88 -2.73 114.58 120.80 1nia h GLU 201 Ca 0.51 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.56 1nia h GLU 201 Cb 0.74 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1nia h GLU 201 CO -0.28 0.44 -0.49 0.00 -0.73 0.00 0.00 179.01 177.95 1nia h ALA 202 N 1.61 0.76 -0.96 2.92 0.00 -1.05 -3.40 119.26 119.13 1nia h ALA 202 Ca 0.09 -0.44 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1nia h ALA 202 Cb 0.26 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.84 1nia h ALA 202 CO 0.01 0.61 -0.49 0.98 0.00 0.00 0.00 179.25 180.35 1nia n TYR 203 N -3.33 -0.25 -0.13 0.00 9.36 -1.03 -0.80 117.16 120.97 1nia n TYR 203 Ca 0.01 1.20 -0.06 0.00 3.32 0.00 0.00 57.90 62.37 1nia n TYR 203 Cb 0.67 -0.69 0.03 0.00 -0.63 0.00 0.00 39.34 38.72 1nia n TYR 203 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1nia h GLU 204 N 0.00 0.39 -0.36 2.98 4.39 -1.79 -1.66 114.58 118.53 1nia h GLU 204 Ca 0.22 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.80 1nia h GLU 204 Cb 0.46 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1nia h GLU 204 CO -0.92 0.26 -0.17 -0.44 -1.16 0.00 0.00 179.01 176.58 1nia h ASP 205 N 0.41 0.66 -0.39 1.42 3.32 -1.67 -3.02 116.42 117.14 1nia h ASP 205 Ca 0.18 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1nia h ASP 205 Cb 0.10 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1nia h ASP 205 CO -0.14 0.84 0.22 0.00 -1.72 0.00 0.00 179.24 178.45 1nia h ALA 206 N 1.22 0.50 -0.48 3.45 0.00 -0.46 -1.38 119.26 122.11 1nia h ALA 206 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nia h ALA 206 Cb 0.63 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1nia h ALA 206 CO 0.04 0.01 0.27 0.28 0.00 0.00 0.00 179.25 179.85 1nia h VAL 207 N 0.51 1.01 -0.64 0.00 2.07 -1.25 0.02 116.25 117.97 1nia h VAL 207 Ca 0.14 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1nia h VAL 207 Cb 0.04 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1nia h VAL 207 CO -0.02 0.10 0.42 0.11 0.02 0.00 0.00 177.57 178.19 1nia h LYS 208 N 0.53 0.83 -0.51 1.57 1.57 -1.37 -1.79 116.57 117.40 1nia h LYS 208 Ca 0.20 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1nia h LYS 208 Cb 0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1nia h LYS 208 CO -0.11 0.55 0.06 0.00 -0.57 0.00 0.00 179.45 179.38 1nia h ALA 209 N 1.24 1.14 -0.42 3.86 0.00 -0.64 -2.99 119.26 121.44 1nia h ALA 209 Ca 0.23 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1nia h ALA 209 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1nia h ALA 209 CO -0.05 0.56 -0.26 0.52 0.00 0.00 0.00 179.25 180.02 1nia h MET 210 N 0.78 0.88 0.00 0.00 2.86 -0.46 -3.15 114.93 115.84 1nia h MET 210 Ca 0.16 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1nia h MET 210 Cb 0.38 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1nia h MET 210 CO 0.01 1.03 0.00 0.00 1.06 0.00 0.00 176.91 179.01 1nia h ARG 211 N 0.75 0.00 0.00 1.72 3.08 -1.18 0.20 114.38 118.95 1nia h ARG 211 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1nia h ARG 211 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1nia h ARG 211 CO 0.07 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.76 1nia h THR 212 N 0.00 0.00 -0.83 2.04 1.35 -1.62 -3.47 112.91 110.38 1nia h THR 212 Ca 0.00 -0.56 -0.36 0.00 -0.55 0.00 0.00 66.41 64.95 1nia h THR 212 Cb 0.04 1.54 -0.14 0.00 -1.73 0.00 0.00 68.15 67.85 1nia h THR 212 CO 0.00 0.00 -0.32 0.18 -0.25 0.00 0.00 175.52 175.13 1nia n LEU 213 N -2.44 -1.17 -4.01 3.87 4.32 0.06 -4.96 117.00 112.68 1nia n LEU 213 Ca 0.05 0.43 -0.31 0.00 -0.02 0.00 0.00 56.01 56.16 1nia n LEU 213 Cb 0.43 -2.70 -0.15 0.00 -1.62 0.00 0.00 43.42 39.38 1nia n LEU 213 CO 0.30 -1.02 -0.40 -0.89 -1.22 0.00 0.00 177.39 174.16 1nia s THR 214 N -2.54 1.99 0.54 -5.08 2.01 -1.26 -5.11 115.64 106.19 1nia s THR 214 Ca 0.00 -1.77 -0.20 0.00 0.31 0.00 0.00 61.69 60.02 1nia s THR 214 Cb 0.00 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1nia s THR 214 CO 0.00 -0.27 1.20 -2.84 -0.69 0.00 0.00 174.62 172.02 1nia s PRO 215 N 1.13 3.28 0.06 4.92 0.02 -1.26 -4.92 135.00 138.22 1nia s PRO 215 Ca -0.01 1.84 0.18 0.00 0.02 0.00 0.00 61.00 63.03 1nia s PRO 215 Cb -0.19 -2.12 -0.14 0.00 0.02 0.00 0.00 34.50 32.06 1nia s PRO 215 CO -0.07 -0.96 0.78 0.25 -0.33 0.00 0.00 177.00 176.66 1nia n THR 216 N -1.15 1.05 -3.87 0.99 -2.24 -0.32 -4.92 114.28 103.82 1nia n THR 216 Ca 0.11 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1nia n THR 216 Cb 0.49 -0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 1nia n THR 216 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nia s HIS 217 N -2.99 0.02 -0.16 4.78 3.76 -1.20 -4.84 115.29 114.65 1nia s HIS 217 Ca -0.03 -0.06 -0.05 0.00 -0.15 0.00 0.00 55.06 54.77 1nia s HIS 217 Cb 0.09 -0.04 0.06 0.00 1.11 0.00 0.00 32.58 33.80 1nia s HIS 217 CO 0.82 -0.25 0.09 0.42 -0.85 0.00 0.00 174.74 174.97 1nia s ILE 218 N -1.13 -0.09 0.23 0.60 1.01 -0.65 -1.19 121.20 119.98 1nia s ILE 218 Ca -0.12 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1nia s ILE 218 Cb -0.07 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 1nia s ILE 218 CO 0.01 -0.25 -0.10 0.68 0.00 0.00 0.00 174.94 175.28 1nia s VAL 219 N 2.14 1.65 -0.03 2.92 -7.23 -0.51 0.09 120.40 119.44 1nia s VAL 219 Ca 0.02 -2.17 -0.00 0.00 -1.81 0.00 0.00 61.98 58.03 1nia s VAL 219 Cb -0.16 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1nia s VAL 219 CO -0.09 -0.47 0.02 -0.36 -0.31 0.00 0.00 175.10 173.89 1nia s PHE 220 N -3.02 3.15 -1.33 2.82 0.08 -1.26 -0.13 117.98 118.30 1nia s PHE 220 Ca 0.25 0.15 -0.08 0.00 0.12 0.00 0.00 56.93 57.37 1nia s PHE 220 Cb 0.01 -1.72 0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1nia s PHE 220 CO 0.09 0.49 0.51 -1.71 -0.10 0.00 0.00 175.22 174.49 1nia n ASN 221 N 1.57 -4.11 0.00 1.36 4.05 -0.68 -2.85 115.26 114.60 1nia n ASN 221 Ca -0.15 -0.37 0.00 0.00 0.45 0.00 0.00 54.58 54.51 1nia n ASN 221 Cb 0.53 -3.38 0.00 0.00 1.23 0.00 0.00 39.78 38.16 1nia n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nia n GLY 222 N -1.23 0.71 3.51 8.20 0.00 -0.95 -4.79 105.19 110.65 1nia n GLY 222 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 1nia n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia s ALA 223 N -3.00 -1.81 0.20 4.61 0.00 -1.13 -4.64 121.76 115.99 1nia s ALA 223 Ca 0.00 1.14 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 1nia s ALA 223 Cb 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 23.12 23.13 1nia s ALA 223 CO 0.00 -0.54 1.52 0.08 0.00 0.00 0.00 175.76 176.82 1nia s VAL 224 N -2.31 2.62 -1.13 0.00 1.01 -0.25 -1.94 120.40 118.40 1nia s VAL 224 Ca -0.01 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1nia s VAL 224 Cb -0.01 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1nia s VAL 224 CO -0.03 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1nia n GLY 225 N 3.13 1.15 0.28 4.51 0.00 -1.26 -4.86 105.19 108.13 1nia n GLY 225 Ca 0.11 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1nia n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia h ALA 226 N 0.00 1.65 -0.79 4.61 0.00 -1.61 -2.71 119.26 120.41 1nia h ALA 226 Ca -0.22 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 1nia h ALA 226 Cb 0.86 -0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.29 1nia h ALA 226 CO 0.32 0.04 -0.17 1.28 0.00 0.00 0.00 179.25 180.72 1nia n LEU 227 N -4.06 5.79 -4.46 0.00 4.77 -1.26 -4.76 117.00 113.02 1nia n LEU 227 Ca -0.03 -4.49 -0.22 0.00 -0.03 0.00 0.00 56.01 51.23 1nia n LEU 227 Cb 0.12 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1nia n LEU 227 CO 0.30 1.81 -0.25 0.42 -1.33 0.00 0.00 177.39 178.34 1nia s THR 228 N -4.53 0.96 0.00 -5.08 -4.23 -1.02 -0.07 115.64 101.65 1nia s THR 228 Ca 0.55 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1nia s THR 228 Cb 0.44 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1nia s THR 228 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1nia n GLY 229 N -0.74 4.01 0.00 3.99 0.00 -1.26 -0.72 105.19 110.47 1nia n GLY 229 Ca -0.03 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1nia n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nia n ASP 230 N 7.63 0.00 -0.71 1.61 5.68 -1.26 -2.56 116.55 126.94 1nia n ASP 230 Ca 0.00 0.36 0.06 0.00 -0.50 0.00 0.00 54.79 54.71 1nia n ASP 230 Cb 0.00 -0.43 0.17 0.00 -1.14 0.00 0.00 41.12 39.72 1nia n ASP 230 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1nia n HIS 231 N -1.43 0.50 -1.74 2.11 -0.00 0.10 -5.02 115.22 109.75 1nia n HIS 231 Ca 0.05 -0.48 -0.38 0.00 -0.00 0.00 0.00 57.72 56.91 1nia n HIS 231 Cb 0.16 -0.02 0.06 0.00 -0.00 0.00 0.00 29.99 30.18 1nia n HIS 231 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nia n ALA 232 N 0.65 1.34 -1.77 -1.41 0.00 -1.06 -4.16 120.51 114.09 1nia n ALA 232 Ca 0.13 0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1nia n ALA 232 Cb 0.44 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 1nia n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nia s LEU 233 N -4.04 4.28 0.25 0.00 1.43 0.43 -4.80 118.68 116.23 1nia s LEU 233 Ca 0.79 2.14 0.10 0.00 -1.03 0.00 0.00 54.13 56.13 1nia s LEU 233 Cb -0.39 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1nia s LEU 233 CO 0.43 -0.40 -0.04 0.42 0.23 0.00 0.00 176.35 177.00 1nia s THR 234 N -1.47 3.32 0.03 5.49 -4.23 -1.26 -0.16 115.64 117.37 1nia s THR 234 Ca 0.53 -1.91 -0.28 0.00 -1.18 0.00 0.00 61.69 58.85 1nia s THR 234 Cb -0.26 -2.75 0.10 0.00 1.34 0.00 0.00 72.50 70.93 1nia s THR 234 CO 0.33 -0.33 1.21 0.00 -0.54 0.00 0.00 174.62 175.29 1nia s ALA 235 N -2.24 -2.13 0.10 3.99 0.00 -1.08 -4.91 121.76 115.49 1nia s ALA 235 Ca 0.30 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.60 1nia s ALA 235 Cb -0.07 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1nia s ALA 235 CO 0.19 -1.08 -0.08 0.00 0.00 0.00 0.00 175.76 174.79 1nia s ALA 236 N -2.40 1.04 0.18 0.00 0.00 -1.26 -2.16 121.76 117.15 1nia s ALA 236 Ca 0.19 -1.28 -0.32 0.00 0.00 0.00 0.00 51.96 50.55 1nia s ALA 236 Cb 0.02 0.10 -0.12 0.00 0.00 0.00 0.00 23.12 23.12 1nia s ALA 236 CO -0.01 -0.15 1.76 0.28 0.00 0.00 0.00 175.76 177.64 1nia n VAL 237 N 0.22 0.13 0.00 0.00 0.31 0.27 -2.02 118.33 117.24 1nia n VAL 237 Ca -0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1nia n VAL 237 Cb 0.59 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1nia n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nia n GLY 238 N 4.04 3.01 3.77 2.92 0.00 0.72 -4.99 105.19 114.66 1nia n GLY 238 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1nia n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nia s GLU 239 N -0.64 4.65 -0.21 1.61 2.02 -0.85 -4.81 118.70 120.46 1nia s GLU 239 Ca 0.00 1.26 -0.17 0.00 0.02 0.00 0.00 54.97 56.08 1nia s GLU 239 Cb 0.00 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 1nia s GLU 239 CO 0.00 0.54 0.46 1.03 0.02 0.00 0.00 175.26 177.32 1nia s ARG 240 N -1.20 4.16 -0.06 1.61 3.00 -1.26 -2.35 118.95 122.84 1nia s ARG 240 Ca 0.38 0.30 0.06 0.00 0.00 0.00 0.00 55.73 56.47 1nia s ARG 240 Cb -0.24 -3.57 -0.01 0.00 0.00 0.00 0.00 34.95 31.13 1nia s ARG 240 CO 0.28 -0.14 -0.24 0.08 0.00 0.00 0.00 175.30 175.28 1nia s VAL 241 N 1.61 2.13 -0.20 3.52 1.01 0.21 -0.07 120.40 128.62 1nia s VAL 241 Ca 0.21 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1nia s VAL 241 Cb -0.15 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1nia s VAL 241 CO 0.09 0.57 0.02 -0.22 0.00 0.00 0.00 175.10 175.56 1nia s LEU 242 N -0.19 3.40 -0.31 3.92 2.96 -0.17 -1.45 118.68 126.84 1nia s LEU 242 Ca -0.03 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1nia s LEU 242 Cb -0.14 -1.87 0.06 0.00 0.50 0.00 0.00 46.19 44.75 1nia s LEU 242 CO 0.03 0.07 0.01 -0.69 -1.32 0.00 0.00 176.35 174.46 1nia s VAL 243 N 0.95 2.87 0.00 1.68 1.01 0.36 -1.19 120.40 126.07 1nia s VAL 243 Ca 0.02 -1.54 -0.25 0.00 0.00 0.00 0.00 61.98 60.21 1nia s VAL 243 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1nia s VAL 243 CO 0.02 -0.18 0.76 -0.69 0.00 0.00 0.00 175.10 175.00 1nia s VAL 244 N 1.20 4.85 -0.06 2.92 1.01 -0.04 -1.63 120.40 128.65 1nia s VAL 244 Ca -0.03 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1nia s VAL 244 Cb -0.20 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1nia s VAL 244 CO -0.02 0.31 -0.04 -2.28 0.00 0.00 0.00 175.10 173.06 1nia s HIS 245 N 0.31 0.89 0.16 5.22 5.04 -0.01 -0.07 115.29 126.83 1nia s HIS 245 Ca 0.39 -0.30 0.09 0.00 -1.54 0.00 0.00 55.06 53.71 1nia s HIS 245 Cb -0.20 -0.81 -0.04 0.00 0.04 0.00 0.00 32.58 31.57 1nia s HIS 245 CO 0.22 -0.28 -0.20 -1.54 -2.34 0.00 0.00 174.74 170.60 1nia s SER 246 N 1.27 2.83 -0.28 9.88 1.04 -0.86 -0.55 113.70 127.04 1nia s SER 246 Ca -0.05 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1nia s SER 246 Cb -0.14 -0.18 0.14 0.00 0.10 0.00 0.00 66.02 65.95 1nia s SER 246 CO -0.02 0.02 0.36 -1.58 0.98 0.00 0.00 173.24 172.99 1nia s GLN 247 N -2.62 0.36 0.00 4.02 -0.44 -0.93 -1.61 119.66 118.44 1nia s GLN 247 Ca 0.15 0.12 0.22 0.00 -2.50 0.00 0.00 55.36 53.36 1nia s GLN 247 Cb -0.07 -0.49 1.04 0.00 -1.64 0.00 0.00 33.01 31.85 1nia s GLN 247 CO 0.07 -0.94 1.72 0.00 0.50 0.00 0.00 175.29 176.64 1nia n ALA 248 N 5.34 2.09 -0.00 1.58 0.00 -1.26 0.06 120.51 128.32 1nia n ALA 248 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1nia n ALA 248 Cb 0.49 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1nia n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nia n ASN 249 N -1.39 0.00 -3.92 0.00 5.15 -1.26 -3.22 115.26 110.61 1nia n ASN 249 Ca 0.08 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.96 1nia n ASN 249 Cb 0.22 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.34 1nia n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1nia s ARG 250 N 0.00 0.15 0.59 1.20 3.52 -1.26 -4.67 118.95 118.48 1nia s ARG 250 Ca 0.00 -0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.11 1nia s ARG 250 Cb 0.00 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1nia s ARG 250 CO 0.00 -0.02 1.10 -0.25 -0.81 0.00 0.00 175.30 175.32 1nia n ASP 251 N 2.35 1.39 -3.96 -2.12 8.00 -1.26 -3.98 116.55 116.97 1nia n ASP 251 Ca -0.18 0.85 -0.09 0.00 0.71 0.00 0.00 54.79 56.08 1nia n ASP 251 Cb 0.58 -1.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.15 1nia n ASP 251 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1nia s THR 252 N -1.43 0.10 -0.41 -3.53 -1.32 -0.75 -4.90 115.64 103.41 1nia s THR 252 Ca 0.76 -1.41 0.04 0.00 -1.21 0.00 0.00 61.69 59.86 1nia s THR 252 Cb -0.42 -1.70 0.16 0.00 -1.51 0.00 0.00 72.50 69.04 1nia s THR 252 CO 0.47 -0.46 0.38 0.00 -2.21 0.00 0.00 174.62 172.80 1nia s ARG 253 N -3.94 0.81 0.64 7.08 1.70 -1.26 -0.85 118.95 123.13 1nia s ARG 253 Ca 0.14 -1.60 -0.18 0.00 -0.47 0.00 0.00 55.73 53.61 1nia s ARG 253 Cb 0.04 -1.08 -0.01 0.00 -0.57 0.00 0.00 34.95 33.33 1nia s ARG 253 CO -0.04 -1.32 1.28 -2.14 -1.08 0.00 0.00 175.30 172.01 1nia s PRO 254 N 0.60 2.60 -0.26 3.89 0.02 -1.12 -0.08 135.00 140.65 1nia s PRO 254 Ca 0.27 2.03 -0.18 0.00 0.02 0.00 0.00 61.00 63.13 1nia s PRO 254 Cb -0.05 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.69 1nia s PRO 254 CO -0.11 -1.55 0.66 -1.58 -0.33 0.00 0.00 177.00 174.09 1nia s HIS 255 N -1.43 -0.89 -0.48 6.54 2.46 0.51 -2.92 115.29 119.08 1nia s HIS 255 Ca 0.82 1.92 -0.14 0.00 0.47 0.00 0.00 55.06 58.12 1nia s HIS 255 Cb -0.36 0.44 0.09 0.00 -0.13 0.00 0.00 32.58 32.62 1nia s HIS 255 CO 0.39 -0.44 0.40 -1.17 -2.47 0.00 0.00 174.74 171.45 1nia s LEU 256 N 1.07 5.69 -0.11 8.88 2.96 -1.26 -0.75 118.68 135.16 1nia s LEU 256 Ca -0.06 -1.49 -0.29 0.00 -0.22 0.00 0.00 54.13 52.07 1nia s LEU 256 Cb -0.05 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1nia s LEU 256 CO -0.10 -0.68 1.84 -0.63 -1.32 0.00 0.00 176.35 175.45 1nia s ILE 257 N 1.59 3.35 0.00 6.68 1.01 0.66 -1.32 121.20 133.18 1nia s ILE 257 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1nia s ILE 257 Cb -0.25 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1nia s ILE 257 CO 0.05 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1nia n GLY 258 N 4.72 0.52 0.00 6.18 0.00 -1.26 -3.74 105.19 111.62 1nia n GLY 258 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1nia n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nia n GLY 259 N -2.00 5.26 3.24 -0.02 0.00 -0.43 -5.01 105.19 106.23 1nia n GLY 259 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1nia n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nia n HIS 260 N 0.00 -1.55 -3.77 1.61 -0.00 -1.26 -4.72 115.22 105.54 1nia n HIS 260 Ca 0.00 -2.14 -0.36 0.00 -0.00 0.00 0.00 57.72 55.22 1nia n HIS 260 Cb 0.00 0.58 -0.11 0.00 -0.00 0.00 0.00 29.99 30.46 1nia n HIS 260 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1nia s GLY 261 N -3.03 2.31 0.21 -1.41 0.00 0.25 -4.77 107.32 100.88 1nia s GLY 261 Ca 0.25 -2.99 -0.09 0.00 0.00 0.00 0.00 44.72 41.89 1nia s GLY 261 CO 0.18 1.06 1.78 -0.55 0.00 0.00 0.00 173.10 175.57 1nia h ASP 262 N 7.35 0.40 -3.28 1.64 3.32 -1.52 -0.73 116.42 123.60 1nia h ASP 262 Ca -0.06 0.05 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1nia h ASP 262 Cb 0.98 -0.01 -0.39 0.00 0.22 0.00 0.00 39.33 40.13 1nia h ASP 262 CO 0.70 0.25 -0.77 -0.31 -1.72 0.00 0.00 179.24 177.38 1nia s TYR 263 N -6.08 1.12 -0.06 4.55 2.02 -0.98 -2.44 117.35 115.48 1nia s TYR 263 Ca -0.13 -0.74 0.04 0.00 -0.37 0.00 0.00 57.07 55.87 1nia s TYR 263 Cb 0.17 -1.05 -0.00 0.00 -0.40 0.00 0.00 41.96 40.68 1nia s TYR 263 CO 0.75 -0.54 -0.18 0.08 -1.57 0.00 0.00 175.55 174.10 1nia s VAL 264 N 1.82 1.50 -0.84 0.71 1.01 -0.13 -0.58 120.40 123.90 1nia s VAL 264 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1nia s VAL 264 Cb -0.15 -1.30 0.21 0.00 0.00 0.00 0.00 36.38 35.13 1nia s VAL 264 CO -0.07 0.43 0.70 0.26 0.00 0.00 0.00 175.10 176.42 1nia s TRP 265 N 0.18 3.81 0.37 5.22 0.51 -0.20 -0.32 118.94 128.52 1nia s TRP 265 Ca -0.08 -3.14 0.12 0.00 -2.12 0.00 0.00 56.10 50.88 1nia s TRP 265 Cb -0.13 -3.08 0.91 0.00 -0.81 0.00 0.00 33.47 30.36 1nia s TRP 265 CO 0.03 -0.68 1.84 0.00 -0.51 0.00 0.00 176.95 177.64 1nia h ALA 266 N 5.80 1.96 -0.65 0.98 0.00 -1.89 0.13 119.26 125.58 1nia h ALA 266 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nia h ALA 266 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1nia h ALA 266 CO 0.82 -0.24 0.00 0.25 0.00 0.00 0.00 179.25 180.07 1nia n THR 267 N -4.58 0.99 -1.51 0.00 -2.24 -1.26 -4.30 114.28 101.37 1nia n THR 267 Ca 0.19 -0.91 -0.18 0.00 -2.27 0.00 0.00 64.05 60.89 1nia n THR 267 Cb 0.59 0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 1nia n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nia n GLY 268 N 1.48 1.72 3.31 3.38 0.00 0.39 -4.69 105.19 110.78 1nia n GLY 268 Ca 0.22 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1nia n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nia s LYS 269 N -3.49 2.79 0.36 1.61 -0.14 -1.26 -0.22 119.74 119.38 1nia s LYS 269 Ca 0.00 -1.07 0.26 0.00 -1.36 0.00 0.00 55.97 53.80 1nia s LYS 269 Cb 0.00 -3.49 1.26 0.00 -1.68 0.00 0.00 37.83 33.92 1nia s LYS 269 CO 0.00 -0.61 1.79 0.74 -0.76 0.00 0.00 175.35 176.50 1nia h PHE 270 N 8.27 0.00 0.00 3.18 0.04 -1.92 -2.60 116.94 123.90 1nia h PHE 270 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1nia h PHE 270 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1nia h PHE 270 CO 0.59 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.84 1nia n ARG 271 N -2.41 0.17 -3.49 1.51 1.74 -1.26 -4.71 116.66 108.21 1nia n ARG 271 Ca -0.00 0.30 -0.34 0.00 -0.77 0.00 0.00 57.85 57.04 1nia n ARG 271 Cb 0.13 -1.77 -0.05 0.00 -1.02 0.00 0.00 32.46 29.74 1nia n ARG 271 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1nia s ASN 272 N -4.06 6.67 0.45 0.55 0.01 -0.98 -5.06 114.94 112.52 1nia s ASN 272 Ca 0.07 0.87 -0.23 0.00 -0.71 0.00 0.00 52.86 52.87 1nia s ASN 272 Cb 0.11 -2.21 -0.08 0.00 0.41 0.00 0.00 41.25 39.48 1nia s ASN 272 CO 0.45 0.09 1.11 -2.16 -1.51 0.00 0.00 177.10 175.08 1nia s PRO 273 N -2.19 3.85 0.78 -0.60 0.04 -1.26 -4.99 135.00 130.62 1nia s PRO 273 Ca 0.38 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 1nia s PRO 273 Cb -0.13 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 32.10 1nia s PRO 273 CO 0.20 -0.44 1.08 -1.25 0.04 0.00 0.00 177.00 176.63 1nia s PRO 274 N -2.77 2.23 -0.01 0.56 0.04 -1.26 -4.96 135.00 128.83 1nia s PRO 274 Ca 0.63 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 1nia s PRO 274 Cb -0.24 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1nia s PRO 274 CO 0.30 -1.61 0.54 -0.51 0.04 0.00 0.00 177.00 175.76 1nia s ASP 275 N -3.56 6.91 0.25 6.66 1.01 0.57 -4.77 116.67 123.73 1nia s ASP 275 Ca 0.61 1.09 -0.01 0.00 0.71 0.00 0.00 52.55 54.94 1nia s ASP 275 Cb -0.16 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1nia s ASP 275 CO 0.56 0.14 0.46 -0.76 0.21 0.00 0.00 175.17 175.78 1nia s LEU 276 N -0.31 4.15 -1.65 1.23 1.43 -1.26 -0.96 118.68 121.32 1nia s LEU 276 Ca 0.29 0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 53.69 1nia s LEU 276 Cb -0.18 -3.28 0.15 0.00 0.03 0.00 0.00 46.19 42.92 1nia s LEU 276 CO 0.16 -0.13 0.77 0.47 0.23 0.00 0.00 176.35 177.85 1nia n ASP 277 N -0.96 -3.43 -4.73 2.29 8.00 -1.02 -4.92 116.55 111.78 1nia n ASP 277 Ca -0.04 -0.93 -0.41 0.00 0.71 0.00 0.00 54.79 54.12 1nia n ASP 277 Cb 0.54 -2.80 -0.03 0.00 -0.02 0.00 0.00 41.12 38.81 1nia n ASP 277 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nia s GLN 278 N -6.82 4.40 -0.14 -1.24 -1.52 -0.29 -4.80 119.66 109.26 1nia s GLN 278 Ca 0.71 2.01 -0.15 0.00 -1.95 0.00 0.00 55.36 55.99 1nia s GLN 278 Cb -0.39 -3.21 -0.25 0.00 -0.22 0.00 0.00 33.01 28.95 1nia s GLN 278 CO 0.87 -0.24 0.40 1.05 -0.25 0.00 0.00 175.29 177.12 1nia h GLU 279 N 5.53 0.18 -3.12 2.91 4.11 -1.91 0.75 114.58 123.02 1nia h GLU 279 Ca -0.44 -0.30 -0.17 0.00 0.07 0.00 0.00 59.36 58.51 1nia h GLU 279 Cb 1.21 0.11 -0.27 0.00 0.50 0.00 0.00 28.75 30.31 1nia h GLU 279 CO 0.78 1.15 -0.45 0.99 0.07 0.00 0.00 179.01 181.54 1nia s THR 280 N -2.47 -0.01 0.09 -1.06 2.01 -1.26 -4.34 115.64 108.61 1nia s THR 280 Ca -0.23 0.04 0.07 0.00 0.31 0.00 0.00 61.69 61.87 1nia s THR 280 Cb 0.05 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 1nia s THR 280 CO 0.72 0.01 -0.17 -1.66 -0.69 0.00 0.00 174.62 172.83 1nia s TRP 281 N 0.40 1.49 -0.22 4.92 -2.14 -1.15 -5.02 118.94 117.23 1nia s TRP 281 Ca -0.02 -0.46 -0.12 0.00 2.66 0.00 0.00 56.10 58.16 1nia s TRP 281 Cb -0.04 -0.82 -0.05 0.00 -3.10 0.00 0.00 33.47 29.47 1nia s TRP 281 CO -0.02 0.14 0.21 -1.17 -2.66 0.00 0.00 176.95 173.45 1nia s LEU 282 N -1.95 4.15 -0.31 -4.66 1.98 -1.26 -2.81 118.68 113.83 1nia s LEU 282 Ca 0.04 0.25 -0.03 0.00 -2.89 0.00 0.00 54.13 51.50 1nia s LEU 282 Cb -0.09 -2.21 0.05 0.00 0.66 0.00 0.00 46.19 44.60 1nia s LEU 282 CO 0.03 0.06 0.02 -0.63 -1.89 0.00 0.00 176.35 173.95 1nia s ILE 283 N 0.91 3.19 0.74 6.68 1.01 -0.03 -4.69 121.20 129.01 1nia s ILE 283 Ca 0.11 -1.30 -0.15 0.00 0.00 0.00 0.00 60.65 59.31 1nia s ILE 283 Cb -0.13 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.56 1nia s ILE 283 CO 0.04 -0.11 1.24 -2.84 0.00 0.00 0.00 174.94 173.26 1nia s PRO 284 N 1.30 2.05 0.28 2.79 0.02 -1.26 -1.80 135.00 138.37 1nia s PRO 284 Ca -0.04 1.86 -0.30 0.00 0.02 0.00 0.00 61.00 62.55 1nia s PRO 284 Cb -0.20 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 1nia s PRO 284 CO -0.00 -1.93 1.44 0.20 -0.33 0.00 0.00 177.00 176.38 1nia s GLY 285 N -1.87 2.46 0.00 0.52 0.00 -1.26 -2.04 107.32 105.13 1nia s GLY 285 Ca 0.77 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.85 1nia s GLY 285 CO 0.46 2.25 0.00 0.61 0.00 0.00 0.00 173.10 176.42 1nia n GLY 286 N 1.83 0.64 3.14 0.20 0.00 0.11 -4.79 105.19 106.32 1nia n GLY 286 Ca 0.05 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1nia n GLY 286 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nia s THR 287 N -2.00 0.59 0.01 2.61 2.01 -0.87 -4.81 115.64 113.19 1nia s THR 287 Ca 0.00 -1.81 0.08 0.00 0.31 0.00 0.00 61.69 60.27 1nia s THR 287 Cb 0.00 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1nia s THR 287 CO 0.00 -0.84 -0.24 0.00 -0.69 0.00 0.00 174.62 172.85 1nia s ALA 288 N -3.41 2.00 0.30 7.40 0.00 -1.26 -2.18 121.76 124.61 1nia s ALA 288 Ca 0.08 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1nia s ALA 288 Cb 0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1nia s ALA 288 CO -0.05 0.48 0.09 0.20 0.00 0.00 0.00 175.76 176.47 1nia s GLY 289 N -0.89 1.96 -0.08 0.00 0.00 0.29 -2.60 107.32 106.00 1nia s GLY 289 Ca 0.10 -1.89 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 1nia s GLY 289 CO 0.01 -1.70 0.19 0.00 0.00 0.00 0.00 173.10 171.59 1nia s ALA 290 N -3.52 -0.44 -0.02 3.20 0.00 -0.88 -0.83 121.76 119.26 1nia s ALA 290 Ca 0.36 0.66 0.05 0.00 0.00 0.00 0.00 51.96 53.04 1nia s ALA 290 Cb 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1nia s ALA 290 CO 0.15 -0.13 -0.19 0.00 0.00 0.00 0.00 175.76 175.59 1nia s ALA 291 N 0.58 1.58 -0.10 0.00 0.00 -0.64 -1.03 121.76 122.14 1nia s ALA 291 Ca -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1nia s ALA 291 Cb -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1nia s ALA 291 CO -0.03 0.36 -0.16 0.12 0.00 0.00 0.00 175.76 176.04 1nia s PHE 292 N -0.30 2.72 -0.12 0.00 2.19 0.26 -0.49 117.98 122.23 1nia s PHE 292 Ca 0.04 -0.64 -0.16 0.00 0.33 0.00 0.00 56.93 56.50 1nia s PHE 292 Cb -0.09 -1.76 0.04 0.00 -1.31 0.00 0.00 43.02 39.90 1nia s PHE 292 CO 0.00 -0.18 0.43 -0.47 1.83 0.00 0.00 175.22 176.83 1nia s TYR 293 N 0.12 -0.43 -0.25 10.12 5.04 -0.53 -1.43 117.35 130.00 1nia s TYR 293 Ca -0.08 0.98 -0.08 0.00 -2.44 0.00 0.00 57.07 55.45 1nia s TYR 293 Cb -0.15 0.17 -0.03 0.00 0.35 0.00 0.00 41.96 42.29 1nia s TYR 293 CO 0.05 -0.29 0.09 0.99 -1.34 0.00 0.00 175.55 175.05 1nia s THR 294 N -0.19 4.47 0.07 4.34 2.01 -1.26 -0.61 115.64 124.46 1nia s THR 294 Ca -0.04 -0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.54 1nia s THR 294 Cb -0.03 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.31 1nia s THR 294 CO 0.02 0.33 1.42 -0.36 -0.69 0.00 0.00 174.62 175.34 1nia s PHE 295 N 1.60 3.02 -0.50 4.92 0.08 -0.99 -4.89 117.98 121.21 1nia s PHE 295 Ca 0.06 0.84 0.08 0.00 0.12 0.00 0.00 56.93 58.03 1nia s PHE 295 Cb -0.15 -3.70 -0.06 0.00 -0.57 0.00 0.00 43.02 38.53 1nia s PHE 295 CO 0.05 -2.56 0.41 0.54 -0.10 0.00 0.00 175.22 173.57 1nia n ARG 296 N 4.64 3.70 -3.86 0.44 1.74 -1.26 -0.20 116.66 121.86 1nia n ARG 296 Ca 0.12 -0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 1nia n ARG 296 Cb 0.43 -0.93 -0.14 0.00 -1.02 0.00 0.00 32.46 30.80 1nia n ARG 296 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nia s GLN 297 N -1.62 0.01 0.86 5.56 -1.52 -1.26 -4.65 119.66 117.03 1nia s GLN 297 Ca 0.04 0.03 -0.14 0.00 -1.95 0.00 0.00 55.36 53.33 1nia s GLN 297 Cb 0.06 -0.01 0.20 0.00 -0.22 0.00 0.00 33.01 33.05 1nia s GLN 297 CO 0.30 -0.01 0.99 -0.35 -0.25 0.00 0.00 175.29 175.97 1nia n PRO 298 N 3.14 -1.66 0.00 2.91 -0.04 -1.26 -4.81 135.00 133.27 1nia n PRO 298 Ca -0.13 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1nia n PRO 298 Cb 0.59 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1nia n PRO 298 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nia n GLY 299 N -2.44 -0.67 3.84 0.55 0.00 0.60 -4.89 105.19 102.18 1nia n GLY 299 Ca 0.13 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 1nia n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nia s VAL 300 N -0.16 5.40 0.04 1.61 1.01 -1.26 -0.66 120.40 126.39 1nia s VAL 300 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1nia s VAL 300 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1nia s VAL 300 CO 0.00 0.57 -0.18 -0.31 0.00 0.00 0.00 175.10 175.18 1nia s TYR 301 N -0.74 1.54 -0.17 5.22 1.51 0.00 -4.97 117.35 119.75 1nia s TYR 301 Ca 0.16 -0.37 -0.05 0.00 -1.01 0.00 0.00 57.07 55.80 1nia s TYR 301 Cb -0.13 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1nia s TYR 301 CO 0.05 0.07 0.00 0.00 -1.11 0.00 0.00 175.55 174.56 1nia s ALA 302 N -0.84 3.15 -0.32 3.71 0.00 -1.25 -0.60 121.76 125.61 1nia s ALA 302 Ca 0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 1nia s ALA 302 Cb -0.08 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1nia s ALA 302 CO 0.02 0.19 0.14 -0.47 0.00 0.00 0.00 175.76 175.64 1nia s TYR 303 N 0.38 3.19 0.18 0.00 5.04 -0.16 -0.24 117.35 125.73 1nia s TYR 303 Ca -0.01 -0.87 0.02 0.00 -2.44 0.00 0.00 57.07 53.76 1nia s TYR 303 Cb -0.14 -2.34 -0.05 0.00 0.35 0.00 0.00 41.96 39.79 1nia s TYR 303 CO 0.02 -0.57 -0.01 0.14 -1.34 0.00 0.00 175.55 173.80 1nia s VAL 304 N 1.54 0.74 -0.38 3.14 -7.23 0.07 -0.96 120.40 117.32 1nia s VAL 304 Ca 0.03 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 1nia s VAL 304 Cb -0.18 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.65 1nia s VAL 304 CO 0.05 -0.48 0.83 0.21 -0.31 0.00 0.00 175.10 175.40 1nia s ASN 305 N -3.18 6.56 0.00 4.85 3.84 -1.00 -0.37 114.94 125.64 1nia s ASN 305 Ca 0.24 0.33 0.00 0.00 0.21 0.00 0.00 52.86 53.64 1nia s ASN 305 Cb 0.06 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 1nia s ASN 305 CO 0.04 -0.81 0.22 1.57 -2.79 0.00 0.00 177.10 175.33 1nia n HIS 306 N 6.60 0.00 -3.23 0.43 -0.00 0.89 -4.03 115.22 115.88 1nia n HIS 306 Ca 0.04 -0.01 -0.46 0.00 -0.00 0.00 0.00 57.72 57.29 1nia n HIS 306 Cb 0.48 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.99 30.39 1nia n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1nia s ASN 307 N -0.49 6.44 0.52 0.26 2.47 -1.26 -4.92 114.94 117.96 1nia s ASN 307 Ca 0.00 -2.06 0.33 0.00 0.42 0.00 0.00 52.86 51.55 1nia s ASN 307 Cb 0.00 -2.25 1.47 0.00 -1.45 0.00 0.00 41.25 39.02 1nia s ASN 307 CO 0.00 -0.83 1.81 -0.07 -3.72 0.00 0.00 177.10 174.28 1nia h LEU 308 N 8.89 0.07 -0.35 3.21 3.38 -2.00 0.73 115.31 129.24 1nia h LEU 308 Ca -0.11 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1nia h LEU 308 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1nia h LEU 308 CO 0.96 0.01 0.01 0.40 0.09 0.00 0.00 178.44 179.91 1nia h ILE 309 N 0.06 1.25 -0.20 1.22 2.04 -1.91 -0.46 117.51 119.52 1nia h ILE 309 Ca 0.56 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1nia h ILE 309 Cb 2.09 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 1nia h ILE 309 CO -0.06 0.31 -0.20 -0.33 0.00 0.00 0.00 178.15 177.88 1nia h GLU 310 N 0.43 0.34 0.05 2.37 5.08 -1.20 0.12 114.58 121.77 1nia h GLU 310 Ca 0.10 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nia h GLU 310 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nia h GLU 310 CO 0.02 0.53 -0.02 0.00 -1.00 0.00 0.00 179.01 178.53 1nia h ALA 311 N 1.49 -0.07 0.00 3.43 0.00 -1.12 -1.57 119.26 121.43 1nia h ALA 311 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1nia h ALA 311 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nia h ALA 311 CO 0.04 -0.13 -1.02 1.19 0.00 0.00 0.00 179.25 179.33 1nia n PHE 312 N -4.76 0.38 -0.11 0.00 3.72 -0.20 -2.48 117.46 114.01 1nia n PHE 312 Ca -0.08 0.11 -0.21 0.00 -0.05 0.00 0.00 57.45 57.22 1nia n PHE 312 Cb 0.32 -0.54 -0.08 0.00 -0.94 0.00 0.00 39.48 38.24 1nia n PHE 312 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1nia n GLU 313 N -2.09 0.48 0.09 -1.08 -0.58 0.38 -4.71 120.64 113.13 1nia n GLU 313 Ca 0.02 0.18 0.12 0.00 -0.42 0.00 0.00 57.16 57.05 1nia n GLU 313 Cb 0.46 -1.32 0.08 0.00 -0.57 0.00 0.00 31.44 30.09 1nia n GLU 313 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1nia h LEU 314 N -0.56 0.00 0.00 -4.62 4.07 -1.41 -3.49 115.31 109.30 1nia h LEU 314 Ca -0.53 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.31 1nia h LEU 314 Cb 1.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.30 1nia h LEU 314 CO -0.26 0.06 0.00 0.61 -1.08 0.00 0.00 178.44 177.76 1nia n GLY 315 N 1.25 1.33 2.75 0.83 0.00 -0.87 -1.64 105.19 108.85 1nia n GLY 315 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1nia n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nia n ALA 316 N -0.06 5.28 -3.39 4.61 0.00 0.11 -4.30 120.51 122.75 1nia n ALA 316 Ca 0.00 -3.61 -0.12 0.00 0.00 0.00 0.00 53.44 49.70 1nia n ALA 316 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 19.45 15.83 1nia n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nia s ALA 317 N 3.47 -0.89 0.35 0.00 0.00 -1.25 -2.38 121.76 121.07 1nia s ALA 317 Ca 0.52 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.66 1nia s ALA 317 Cb 0.14 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1nia s ALA 317 CO -0.04 -0.19 0.22 0.20 0.00 0.00 0.00 175.76 175.95 1nia s GLY 318 N 0.57 2.39 0.20 0.00 0.00 -0.13 -4.49 107.32 105.86 1nia s GLY 318 Ca -0.03 -1.75 0.07 0.00 0.00 0.00 0.00 44.72 43.01 1nia s GLY 318 CO -0.03 -1.60 -0.14 0.30 0.00 0.00 0.00 173.10 171.63 1nia s HIS 319 N -3.40 1.68 -0.04 1.90 3.76 0.89 -0.99 115.29 119.09 1nia s HIS 319 Ca 0.35 -0.59 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 1nia s HIS 319 Cb 0.03 -0.79 0.01 0.00 1.11 0.00 0.00 32.58 32.94 1nia s HIS 319 CO 0.22 0.33 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.30 1nia s PHE 320 N -3.00 0.99 -0.27 1.40 0.08 0.23 -0.43 117.98 116.97 1nia s PHE 320 Ca 0.22 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1nia s PHE 320 Cb -0.00 -0.76 0.05 0.00 -0.57 0.00 0.00 43.02 41.74 1nia s PHE 320 CO 0.06 -0.18 -0.06 0.15 -0.10 0.00 0.00 175.22 175.09 1nia s LYS 321 N 0.59 2.38 -0.14 0.44 1.02 0.78 -0.82 119.74 123.99 1nia s LYS 321 Ca -0.10 -1.28 -0.04 0.00 0.02 0.00 0.00 55.97 54.58 1nia s LYS 321 Cb -0.13 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1nia s LYS 321 CO 0.01 -0.57 -0.02 0.08 -0.92 0.00 0.00 175.35 173.93 1nia s VAL 322 N 1.18 4.09 0.18 3.17 1.01 0.16 -2.64 120.40 127.55 1nia s VAL 322 Ca -0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1nia s VAL 322 Cb -0.19 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1nia s VAL 322 CO -0.03 0.52 0.25 0.42 0.00 0.00 0.00 175.10 176.25 1nia s THR 323 N 0.05 4.98 -5.00 3.92 -4.23 -0.92 -0.29 115.64 114.15 1nia s THR 323 Ca 0.01 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1nia s THR 323 Cb -0.13 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1nia s THR 323 CO 0.02 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1nia n GLY 324 N -0.72 0.23 3.86 3.99 0.00 -1.26 -0.56 105.19 110.73 1nia n GLY 324 Ca -0.08 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1nia n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nia s GLU 325 N -1.79 3.56 0.31 1.61 2.12 -1.26 -4.70 118.70 118.54 1nia s GLU 325 Ca 0.00 -0.05 -0.29 0.00 0.36 0.00 0.00 54.97 54.99 1nia s GLU 325 Cb 0.00 -3.21 -0.10 0.00 0.26 0.00 0.00 34.13 31.08 1nia s GLU 325 CO 0.00 0.73 1.19 -0.46 -0.54 0.00 0.00 175.26 176.18 1nia s TRP 326 N -0.94 3.32 -0.59 5.30 -0.11 -1.26 -4.48 118.94 120.19 1nia s TRP 326 Ca 0.16 1.57 -0.08 0.00 1.22 0.00 0.00 56.10 58.98 1nia s TRP 326 Cb -0.13 -3.46 0.15 0.00 -1.50 0.00 0.00 33.47 28.54 1nia s TRP 326 CO 0.05 -1.15 0.45 1.21 -4.62 0.00 0.00 176.95 172.89 1nia s ASN 327 N -0.74 5.72 0.56 5.86 3.84 -1.26 -4.94 114.94 123.98 1nia s ASN 327 Ca 0.47 -2.39 0.37 0.00 0.21 0.00 0.00 52.86 51.53 1nia s ASN 327 Cb -0.35 -1.98 1.92 0.00 -0.55 0.00 0.00 41.25 40.28 1nia s ASN 327 CO 0.46 -0.55 2.13 0.44 -2.79 0.00 0.00 177.10 176.79 1nia h ASP 328 N 7.82 0.00 0.53 -4.21 3.32 -1.95 -1.77 116.42 120.15 1nia h ASP 328 Ca -0.08 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 1nia h ASP 328 Cb 1.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1nia h ASP 328 CO 0.78 0.00 -0.59 -0.78 -1.72 0.00 0.00 179.24 176.93 1nia h ASP 329 N 0.00 0.07 0.05 6.45 3.58 -2.02 -3.20 116.42 121.36 1nia h ASP 329 Ca 0.00 -0.04 -0.21 0.00 0.42 0.00 0.00 57.03 57.20 1nia h ASP 329 Cb 0.13 -0.02 0.02 0.00 1.72 0.00 0.00 39.33 41.18 1nia h ASP 329 CO 0.00 0.64 -0.84 -0.07 -2.88 0.00 0.00 179.24 176.09 1nia h LEU 330 N 0.05 0.65 -7.07 2.28 4.07 -1.76 -3.47 115.31 110.05 1nia h LEU 330 Ca -0.01 -0.81 -0.06 0.00 0.08 0.00 0.00 57.88 57.08 1nia h LEU 330 Cb 1.05 -0.20 -0.20 0.00 1.08 0.00 0.00 40.66 42.38 1nia h LEU 330 CO 0.08 1.38 0.09 -0.32 -1.08 0.00 0.00 178.44 178.59 1nia s MET 331 N -3.02 0.88 -0.10 1.13 1.75 -1.10 -5.14 119.30 113.70 1nia s MET 331 Ca -0.12 0.56 -0.30 0.00 -1.25 0.00 0.00 55.69 54.58 1nia s MET 331 Cb 0.04 0.42 0.11 0.00 2.84 0.00 0.00 34.83 38.24 1nia s MET 331 CO 0.86 -0.20 0.90 -0.08 -0.65 0.00 0.00 175.02 175.85 1nia s THR 332 N -0.41 0.00 -0.29 10.11 -1.32 -1.26 -4.05 115.64 118.42 1nia s THR 332 Ca -0.06 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.20 1nia s THR 332 Cb -0.03 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1nia s THR 332 CO 0.05 0.00 0.75 -0.55 -2.21 0.00 0.00 174.62 172.66 1nia s SER 333 N -1.40 6.65 0.24 8.08 0.15 -1.26 -5.02 113.70 121.15 1nia s SER 333 Ca -0.03 0.67 -0.30 0.00 0.70 0.00 0.00 55.95 56.99 1nia s SER 333 Cb -0.00 -2.39 -0.09 0.00 -1.71 0.00 0.00 66.02 61.82 1nia s SER 333 CO 0.01 -0.56 1.14 -0.69 1.20 0.00 0.00 173.24 174.34 1nia s VAL 334 N 2.85 3.51 -0.21 4.45 1.01 -1.26 -5.04 120.40 125.71 1nia s VAL 334 Ca 0.31 1.41 -0.11 0.00 0.00 0.00 0.00 61.98 63.60 1nia s VAL 334 Cb -0.14 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1nia s VAL 334 CO 0.11 0.30 0.16 -0.69 0.00 0.00 0.00 175.10 174.98 1nia s VAL 335 N -0.74 5.38 -0.65 2.92 1.01 -1.26 -5.05 120.40 122.02 1nia s VAL 335 Ca 0.48 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 1nia s VAL 335 Cb -0.32 -3.50 0.45 0.00 0.00 0.00 0.00 36.38 33.00 1nia s VAL 335 CO 0.40 0.41 2.03 0.29 0.00 0.00 0.00 175.10 178.23 1nia n LYS 336 N 3.74 2.63 -2.74 2.72 4.76 -1.26 -4.84 118.16 123.17 1nia n LYS 336 Ca -0.15 -3.20 -0.43 0.00 -2.87 0.00 0.00 58.31 51.67 1nia n LYS 336 Cb 0.52 -2.25 0.01 0.00 -1.84 0.00 0.00 35.03 31.46 1nia n LYS 336 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1nia n PRO 337 N -0.87 4.28 -3.61 1.97 -0.02 -1.26 -4.93 135.00 130.57 1nia n PRO 337 Ca 0.61 -4.21 0.00 0.00 -2.02 0.00 0.00 63.50 57.89 1nia n PRO 337 Cb 0.69 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 1nia n PRO 337 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nia s ALA 338 N -1.85 -2.33 0.00 3.55 0.00 -1.26 -5.04 121.76 114.83 1nia s ALA 338 Ca 0.35 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1nia s ALA 338 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1nia s ALA 338 CO 0.06 -0.78 0.03 0.43 0.00 0.00 0.00 175.76 175.50 1nia n SER 339 N -0.23 0.06 0.00 0.00 7.64 -1.26 -5.24 113.62 114.59 1nia n SER 339 Ca -0.02 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1nia n SER 339 Cb 0.60 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 1nia n SER 339 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18