#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 1.17 0.00 0.00 1.08 -2.05 -1.63 117.51 116.08 1nia h ILE 9 Ca 0.00 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1nia h ILE 9 Cb 0.00 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 33.59 1nia h ILE 9 CO 0.00 0.22 0.32 0.77 -0.69 0.00 0.00 178.15 178.78 1nia h SER 10 N 1.22 0.00 0.37 1.72 4.64 -2.06 -0.97 113.55 118.48 1nia h SER 10 Ca 0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.57 1nia h SER 10 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1nia h SER 10 CO -0.12 0.00 -1.75 0.41 -0.87 0.00 0.00 176.83 174.51 1nia n THR 11 N -2.70 0.76 -2.23 2.95 -1.04 -0.61 -5.00 114.28 106.41 1nia n THR 11 Ca -0.02 -0.64 -0.39 0.00 -2.04 0.00 0.00 64.05 60.96 1nia n THR 11 Cb 0.36 -0.38 -0.02 0.00 -1.82 0.00 0.00 70.33 68.48 1nia n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nia s LEU 12 N -5.25 4.22 0.34 -4.42 1.43 -0.37 -4.99 118.68 109.64 1nia s LEU 12 Ca -0.06 2.44 -0.28 0.00 -1.03 0.00 0.00 54.13 55.20 1nia s LEU 12 Cb 0.10 -3.96 -0.10 0.00 0.03 0.00 0.00 46.19 42.26 1nia s LEU 12 CO 0.84 -0.70 1.24 -2.16 0.23 0.00 0.00 176.35 175.81 1nia s PRO 13 N -2.23 4.30 0.03 1.29 0.04 -1.26 -4.77 135.00 132.40 1nia s PRO 13 Ca 0.56 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.71 1nia s PRO 13 Cb -0.33 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1nia s PRO 13 CO 0.42 -0.18 -0.06 1.03 0.04 0.00 0.00 177.00 178.25 1nia s ARG 14 N -1.88 2.48 -0.06 4.56 0.52 -1.26 -1.24 118.95 122.06 1nia s ARG 14 Ca 0.51 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1nia s ARG 14 Cb -0.36 -2.48 0.03 0.00 0.52 0.00 0.00 34.95 32.66 1nia s ARG 14 CO 0.48 0.58 0.01 0.54 0.02 0.00 0.00 175.30 176.92 1nia s VAL 15 N -1.08 0.32 -0.17 3.52 0.11 -0.07 -4.93 120.40 118.09 1nia s VAL 15 Ca 0.19 0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 1nia s VAL 15 Cb -0.11 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1nia s VAL 15 CO 0.10 0.24 0.69 -0.75 -3.33 0.00 0.00 175.10 172.05 1nia s LYS 16 N 1.86 4.27 -0.07 1.54 2.47 -1.26 -0.65 119.74 127.89 1nia s LYS 16 Ca 0.03 0.75 -0.05 0.00 -1.56 0.00 0.00 55.97 55.13 1nia s LYS 16 Cb -0.12 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 1nia s LYS 16 CO -0.04 -0.21 0.16 0.08 0.16 0.00 0.00 175.35 175.49 1nia s VAL 17 N 1.79 5.47 -0.33 4.02 1.01 -0.69 -4.96 120.40 126.71 1nia s VAL 17 Ca 0.32 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 1nia s VAL 17 Cb -0.16 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1nia s VAL 17 CO 0.12 0.49 0.13 -1.81 0.00 0.00 0.00 175.10 174.03 1nia s ASP 18 N -1.42 5.37 0.61 3.32 1.01 -1.26 -4.75 116.67 119.55 1nia s ASP 18 Ca 0.20 -0.87 -0.17 0.00 0.71 0.00 0.00 52.55 52.42 1nia s ASP 18 Cb -0.12 -1.93 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 1nia s ASP 18 CO 0.10 -0.27 1.13 -0.76 0.21 0.00 0.00 175.17 175.58 1nia s LEU 19 N 1.50 3.55 0.04 1.23 1.43 -1.26 -4.72 118.68 120.45 1nia s LEU 19 Ca 0.02 2.13 0.07 0.00 -1.03 0.00 0.00 54.13 55.31 1nia s LEU 19 Cb -0.18 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.44 1nia s LEU 19 CO 0.04 -1.50 -0.19 -0.69 0.23 0.00 0.00 176.35 174.24 1nia s VAL 20 N -2.02 1.54 0.35 -1.59 1.01 -1.26 -5.00 120.40 113.43 1nia s VAL 20 Ca 0.71 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1nia s VAL 20 Cb -0.23 -1.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 1nia s VAL 20 CO 0.35 0.17 1.12 -0.75 0.00 0.00 0.00 175.10 176.00 1nia s LYS 21 N -1.13 4.32 0.79 2.72 2.20 -1.26 -4.57 119.74 122.81 1nia s LYS 21 Ca 0.06 1.78 -0.14 0.00 -0.36 0.00 0.00 55.97 57.31 1nia s LYS 21 Cb -0.08 -2.86 0.05 0.00 -1.51 0.00 0.00 37.83 33.42 1nia s LYS 21 CO 0.02 -0.07 1.01 -2.30 -0.36 0.00 0.00 175.35 173.64 1nia n PRO 22 N 0.51 0.23 -0.04 4.03 -0.02 -1.26 -2.34 135.00 136.10 1nia n PRO 22 Ca 0.02 0.14 0.01 0.00 -2.02 0.00 0.00 63.50 61.66 1nia n PRO 22 Cb 0.46 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1nia n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1nia n PRO 23 N -2.54 1.17 -2.62 0.52 -0.04 -1.26 -5.07 135.00 125.16 1nia n PRO 23 Ca 0.12 -0.26 -0.27 0.00 -0.04 0.00 0.00 63.50 63.06 1nia n PRO 23 Cb 0.50 -1.07 0.01 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.89 3.47 0.03 0.54 0.08 -0.99 -0.52 117.98 118.69 1nia s PHE 24 Ca 0.05 0.72 0.07 0.00 0.12 0.00 0.00 56.93 57.90 1nia s PHE 24 Cb 0.03 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 1nia s PHE 24 CO 0.03 -0.40 -0.22 0.08 -0.10 0.00 0.00 175.22 174.61 1nia s VAL 25 N -2.78 1.75 0.93 -0.44 1.01 -1.26 -4.56 120.40 115.04 1nia s VAL 25 Ca 0.49 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 1nia s VAL 25 Cb -0.10 -1.50 0.15 0.00 0.00 0.00 0.00 36.38 34.93 1nia s VAL 25 CO 0.44 0.29 1.09 -1.38 0.00 0.00 0.00 175.10 175.55 1nia s HIS 26 N -0.73 2.01 0.45 5.22 -3.43 -1.26 -4.92 115.29 112.62 1nia s HIS 26 Ca 0.08 1.43 -0.25 0.00 -0.80 0.00 0.00 55.06 55.52 1nia s HIS 26 Cb -0.09 -3.18 -0.09 0.00 -1.43 0.00 0.00 32.58 27.80 1nia s HIS 26 CO 0.01 -2.67 1.37 0.00 -2.00 0.00 0.00 174.74 171.45 1nia n ALA 27 N -4.10 1.77 -3.60 -1.38 0.00 -1.26 -4.99 120.51 106.94 1nia n ALA 27 Ca 0.08 0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.72 1nia n ALA 27 Cb 0.54 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 1nia n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1nia s HIS 28 N -1.20 -0.13 -0.05 0.00 -3.43 -1.26 -5.02 115.29 104.19 1nia s HIS 28 Ca 0.62 0.06 -0.04 0.00 -0.80 0.00 0.00 55.06 54.90 1nia s HIS 28 Cb -0.46 0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 1nia s HIS 28 CO 0.57 -0.26 0.15 -0.51 -2.00 0.00 0.00 174.74 172.68 1nia s ASP 29 N -2.38 6.24 -0.01 7.38 1.01 -1.26 -5.00 116.67 122.65 1nia s ASP 29 Ca 0.10 0.36 -0.21 0.00 0.71 0.00 0.00 52.55 53.51 1nia s ASP 29 Cb 0.00 -1.95 -0.24 0.00 1.01 0.00 0.00 42.92 41.73 1nia s ASP 29 CO -0.05 0.32 1.06 1.56 0.21 0.00 0.00 175.17 178.28 1nia h GLN 30 N 4.33 0.35 -5.06 8.23 4.20 -1.98 -3.42 115.11 121.77 1nia h GLN 30 Ca -0.51 -0.39 -0.63 0.00 0.06 0.00 0.00 58.65 57.18 1nia h GLN 30 Cb 1.20 0.12 -0.16 0.00 0.30 0.00 0.00 27.48 28.93 1nia h GLN 30 CO 0.63 1.08 -0.53 0.08 -0.67 0.00 0.00 178.83 179.42 1nia s VAL 31 N -3.10 5.12 0.07 -0.54 1.01 -1.26 -3.53 120.40 118.17 1nia s VAL 31 Ca -0.14 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1nia s VAL 31 Cb 0.03 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 1nia s VAL 31 CO 0.81 0.34 1.81 0.00 0.00 0.00 0.00 175.10 178.06 1nia s ALA 32 N 1.17 3.68 -0.73 5.51 0.00 -0.60 -4.87 121.76 125.91 1nia s ALA 32 Ca 0.07 1.30 0.24 0.00 0.00 0.00 0.00 51.96 53.57 1nia s ALA 32 Cb -0.14 -3.77 0.40 0.00 0.00 0.00 0.00 23.12 19.61 1nia s ALA 32 CO 0.05 -1.32 1.35 1.63 0.00 0.00 0.00 175.76 177.47 1nia n LYS 33 N 6.37 0.22 -4.48 0.00 5.02 -1.26 -4.94 118.16 119.09 1nia n LYS 33 Ca 0.18 0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 56.28 1nia n LYS 33 Cb 0.40 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 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 -3.13 0.42 0.00 -0.18 -4.23 -1.26 -5.17 115.64 102.09 1nia s THR 34 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1nia s THR 34 Cb 0.14 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1nia s THR 34 CO 0.71 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 1nia n GLY 35 N -0.89 -0.51 3.65 3.99 0.00 -1.26 -4.99 105.19 105.18 1nia n GLY 35 Ca -0.04 -1.75 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.85 1.79 -4.35 1.61 -0.02 -1.26 -5.01 135.00 126.91 1nia n PRO 36 Ca 0.00 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 61.92 1nia n PRO 36 Cb 0.00 -2.12 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 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 -1.64 1.55 -0.39 -0.52 0.52 -1.26 -4.52 118.95 112.69 1nia s ARG 37 Ca 0.58 -1.88 -0.08 0.00 -0.52 0.00 0.00 55.73 53.83 1nia s ARG 37 Cb -0.63 -0.24 0.06 0.00 0.52 0.00 0.00 34.95 34.66 1nia s ARG 37 CO 0.60 -0.38 0.20 0.08 0.02 0.00 0.00 175.30 175.83 1nia s VAL 38 N -3.62 4.12 -0.28 3.52 1.01 -0.37 -0.18 120.40 124.61 1nia s VAL 38 Ca 0.36 -1.26 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1nia s VAL 38 Cb 0.06 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1nia s VAL 38 CO 0.16 -0.38 0.46 -0.69 0.00 0.00 0.00 175.10 174.66 1nia s VAL 39 N 1.43 5.10 -0.10 2.92 1.01 0.41 -0.89 120.40 130.28 1nia s VAL 39 Ca 0.02 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 1nia s VAL 39 Cb -0.21 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1nia s VAL 39 CO 0.03 0.07 0.25 -1.61 0.00 0.00 0.00 175.10 173.84 1nia s GLU 40 N 2.24 3.84 0.09 2.72 2.02 0.18 -1.38 118.70 128.40 1nia s GLU 40 Ca 0.19 0.08 0.04 0.00 0.02 0.00 0.00 54.97 55.29 1nia s GLU 40 Cb -0.16 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1nia s GLU 40 CO 0.10 0.58 -0.10 -0.06 0.02 0.00 0.00 175.26 175.80 1nia s PHE 41 N -0.57 1.04 -0.03 1.61 0.08 -0.24 -1.71 117.98 118.16 1nia s PHE 41 Ca 0.17 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.60 1nia s PHE 41 Cb -0.14 -0.57 0.02 0.00 -0.57 0.00 0.00 43.02 41.76 1nia s PHE 41 CO 0.06 -0.01 -0.01 0.99 -0.10 0.00 0.00 175.22 176.15 1nia s THR 42 N -2.30 0.25 0.00 0.64 2.01 -1.26 -0.71 115.64 114.28 1nia s THR 42 Ca 0.04 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1nia s THR 42 Cb -0.04 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1nia s THR 42 CO 0.00 0.14 -0.05 -0.04 -0.69 0.00 0.00 174.62 173.98 1nia s MET 43 N 0.74 0.38 -0.13 4.92 -1.94 -0.60 -4.94 119.30 117.73 1nia s MET 43 Ca -0.08 -0.24 -0.01 0.00 -1.71 0.00 0.00 55.69 53.66 1nia s MET 43 Cb -0.11 -0.34 -0.02 0.00 2.01 0.00 0.00 34.83 36.37 1nia s MET 43 CO -0.01 0.09 -0.11 0.99 -0.01 0.00 0.00 175.02 175.97 1nia s THR 44 N -0.27 3.24 0.30 2.05 2.01 -1.26 -1.54 115.64 120.17 1nia s THR 44 Ca 0.00 -0.59 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 1nia s THR 44 Cb -0.03 -2.37 -0.09 0.00 0.01 0.00 0.00 72.50 70.01 1nia s THR 44 CO -0.00 0.52 1.02 -0.63 -0.69 0.00 0.00 174.62 174.84 1nia s ILE 45 N 0.34 3.81 -0.14 1.82 1.01 0.13 -0.19 121.20 127.97 1nia s ILE 45 Ca -0.09 1.66 -0.04 0.00 0.00 0.00 0.00 60.65 62.18 1nia s ILE 45 Cb -0.15 -4.00 0.07 0.00 0.01 0.00 0.00 42.46 38.39 1nia s ILE 45 CO 0.05 0.28 0.23 -1.61 0.00 0.00 0.00 174.94 173.89 1nia s GLU 46 N -1.72 0.14 -0.07 2.79 2.02 -0.02 -4.49 118.70 117.35 1nia s GLU 46 Ca 0.47 0.54 -0.22 0.00 0.02 0.00 0.00 54.97 55.78 1nia s GLU 46 Cb -0.26 -0.45 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 1nia s GLU 46 CO 0.33 -0.41 0.66 -1.21 0.02 0.00 0.00 175.26 174.65 1nia s GLU 47 N 2.37 4.42 0.08 1.61 2.02 -1.26 -0.79 118.70 127.15 1nia s GLU 47 Ca 0.04 0.80 -0.24 0.00 0.02 0.00 0.00 54.97 55.58 1nia s GLU 47 Cb -0.13 -3.44 0.06 0.00 0.10 0.00 0.00 34.13 30.72 1nia s GLU 47 CO -0.09 0.09 0.59 -1.59 0.02 0.00 0.00 175.26 174.29 1nia s LYS 48 N 0.73 1.16 0.03 1.61 -2.85 0.10 -4.98 119.74 115.54 1nia s LYS 48 Ca 0.35 -0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 54.77 1nia s LYS 48 Cb -0.17 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1nia s LYS 48 CO 0.17 -0.46 1.07 0.15 0.10 0.00 0.00 175.35 176.38 1nia s LYS 49 N -2.85 4.51 -0.05 1.78 1.02 -1.26 0.72 119.74 123.60 1nia s LYS 49 Ca -0.03 1.56 0.02 0.00 0.02 0.00 0.00 55.97 57.54 1nia s LYS 49 Cb -0.01 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1nia s LYS 49 CO -0.05 -0.12 -0.10 -1.17 -0.92 0.00 0.00 175.35 172.98 1nia s LEU 50 N 0.97 1.61 -0.25 3.17 2.96 0.27 -4.91 118.68 122.50 1nia s LEU 50 Ca 0.54 -0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 53.98 1nia s LEU 50 Cb -0.25 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1nia s LEU 50 CO 0.29 0.03 0.71 -0.69 -1.32 0.00 0.00 176.35 175.36 1nia s VAL 51 N 0.62 4.92 -2.39 1.68 1.01 -1.26 -1.64 120.40 123.34 1nia s VAL 51 Ca -0.12 1.29 0.19 0.00 0.00 0.00 0.00 61.98 63.34 1nia s VAL 51 Cb -0.14 -4.01 0.15 0.00 0.00 0.00 0.00 36.38 32.37 1nia s VAL 51 CO 0.03 -0.03 1.11 2.30 0.00 0.00 0.00 175.10 178.50 1nia n ILE 52 N 5.24 0.00 -3.91 2.22 -5.35 -0.39 -4.85 119.36 112.31 1nia n ILE 52 Ca 0.02 -0.49 -0.12 0.00 -0.27 0.00 0.00 62.75 61.89 1nia n ILE 52 Cb 0.48 1.39 -0.00 0.00 -1.74 0.00 0.00 39.64 39.77 1nia n ILE 52 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1nia n ASP 53 N 1.03 -1.71 0.12 7.28 5.68 -1.26 -1.43 116.55 126.27 1nia n ASP 53 Ca 0.11 -2.69 -0.01 0.00 -0.50 0.00 0.00 54.79 51.70 1nia n ASP 53 Cb 0.48 2.99 0.26 0.00 -1.14 0.00 0.00 41.12 43.71 1nia n ASP 53 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1nia h ARG 54 N 0.00 0.17 0.00 0.11 -0.00 -1.96 -2.89 114.38 109.81 1nia h ARG 54 Ca -0.29 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 59.11 1nia h ARG 54 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.13 1nia h ARG 54 CO 0.38 0.54 0.00 0.39 0.00 0.00 0.00 179.97 181.28 1nia n GLU 55 N -4.05 0.83 -1.00 0.04 1.02 -1.26 -4.86 120.64 111.36 1nia n GLU 55 Ca -0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1nia n GLU 55 Cb 0.46 -1.09 -0.00 0.00 -0.02 0.00 0.00 31.44 30.79 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 0.39 0.42 3.66 0.62 0.00 -1.09 -4.97 105.19 104.22 1nia n GLY 56 Ca 0.04 -0.03 -0.49 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.84 0.16 -4.37 2.61 -1.04 -1.26 -4.84 114.28 102.70 1nia n THR 57 Ca -0.00 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.68 1nia n THR 57 Cb 0.08 -1.40 -0.11 0.00 -1.82 0.00 0.00 70.33 67.09 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 1.78 2.18 0.15 -2.82 2.12 -1.26 -1.27 118.70 119.58 1nia s GLU 58 Ca 0.85 -0.97 -0.07 0.00 0.36 0.00 0.00 54.97 55.15 1nia s GLU 58 Cb -0.79 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 1nia s GLU 58 CO 0.46 0.53 0.21 0.96 -0.54 0.00 0.00 175.26 176.88 1nia s ILE 59 N -1.11 0.08 -0.69 -3.70 -4.36 -0.65 -4.85 121.20 105.92 1nia s ILE 59 Ca 0.19 -1.53 -0.16 0.00 -0.26 0.00 0.00 60.65 58.89 1nia s ILE 59 Cb -0.11 -1.86 0.16 0.00 1.25 0.00 0.00 42.46 41.90 1nia s ILE 59 CO 0.10 -0.38 0.68 -1.00 0.24 0.00 0.00 174.94 174.58 1nia s HIS 60 N -3.98 3.40 0.34 1.37 3.76 -1.26 -0.57 115.29 118.35 1nia s HIS 60 Ca 0.18 -1.52 -0.25 0.00 -0.15 0.00 0.00 55.06 53.33 1nia s HIS 60 Cb 0.05 -3.88 -0.10 0.00 1.11 0.00 0.00 32.58 29.76 1nia s HIS 60 CO -0.00 -1.09 0.93 0.00 -0.85 0.00 0.00 174.74 173.73 1nia s ALA 61 N 1.29 3.18 -0.19 -1.40 0.00 0.22 -4.86 121.76 120.01 1nia s ALA 61 Ca 0.12 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1nia s ALA 61 Cb -0.20 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1nia s ALA 61 CO -0.02 0.17 -0.18 -1.64 0.00 0.00 0.00 175.76 174.10 1nia s MET 62 N -2.30 2.90 0.19 0.00 -1.94 -0.61 0.01 119.30 117.54 1nia s MET 62 Ca 0.52 -0.90 0.07 0.00 -1.71 0.00 0.00 55.69 53.67 1nia s MET 62 Cb -0.16 -2.64 -0.05 0.00 2.01 0.00 0.00 34.83 33.99 1nia s MET 62 CO 0.21 -0.26 -0.13 0.95 -0.01 0.00 0.00 175.02 175.78 1nia s THR 63 N 1.27 1.55 -0.30 2.05 -4.23 0.03 -2.07 115.64 113.94 1nia s THR 63 Ca 0.03 -2.16 -0.10 0.00 -1.18 0.00 0.00 61.69 58.27 1nia s THR 63 Cb -0.14 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 1nia s THR 63 CO -0.11 -0.62 0.17 -0.36 -0.54 0.00 0.00 174.62 173.15 1nia s PHE 64 N -3.09 3.19 -1.38 3.99 0.08 -1.26 -0.84 117.98 118.67 1nia s PHE 64 Ca 0.21 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1nia s PHE 64 Cb 0.01 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 1nia s PHE 64 CO 0.05 -0.35 0.00 0.09 -0.10 0.00 0.00 175.22 174.92 1nia n ASN 65 N 5.02 -4.56 0.00 1.36 4.13 0.73 -3.28 115.26 118.68 1nia n ASN 65 Ca -0.14 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1nia n ASN 65 Cb 0.50 -3.48 0.00 0.00 -1.54 0.00 0.00 39.78 35.26 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 -1.14 0.53 3.29 7.41 0.00 -1.26 -4.98 105.19 109.04 1nia n GLY 66 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.21 2.21 -0.22 1.61 1.04 -1.20 -5.03 113.70 109.90 1nia s SER 67 Ca 0.00 -0.98 -0.00 0.00 0.48 0.00 0.00 55.95 55.45 1nia s SER 67 Cb 0.00 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.10 1nia s SER 67 CO 0.00 -0.22 -0.04 -0.69 0.98 0.00 0.00 173.24 173.28 1nia s VAL 68 N -2.91 1.31 0.97 5.02 1.01 -1.26 -3.49 120.40 121.05 1nia s VAL 68 Ca 0.18 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1nia s VAL 68 Cb -0.01 -1.62 0.20 0.00 0.00 0.00 0.00 36.38 34.95 1nia s VAL 68 CO 0.04 -0.11 1.29 -2.16 0.00 0.00 0.00 175.10 174.16 1nia s PRO 69 N 1.50 0.58 0.86 2.72 0.04 -1.26 -2.39 135.00 137.04 1nia s PRO 69 Ca -0.05 -0.33 -0.11 0.00 0.04 0.00 0.00 61.00 60.55 1nia s PRO 69 Cb -0.18 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.63 1nia s PRO 69 CO -0.07 -2.47 1.09 0.20 0.04 0.00 0.00 177.00 175.80 1nia s GLY 70 N -4.77 1.63 0.67 0.56 0.00 -0.08 -4.78 107.32 100.56 1nia s GLY 70 Ca 0.73 -0.00 -0.17 0.00 0.00 0.00 0.00 44.72 45.27 1nia s GLY 70 CO 0.53 0.45 1.25 2.56 0.00 0.00 0.00 173.10 177.89 1nia s PRO 71 N -4.94 2.48 -0.05 2.90 0.04 -1.26 -4.44 135.00 129.72 1nia s PRO 71 Ca 0.63 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 63.31 1nia s PRO 71 Cb -0.18 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1nia s PRO 71 CO 0.57 -1.62 0.94 -1.17 0.04 0.00 0.00 177.00 175.76 1nia s LEU 72 N -4.57 4.31 -0.15 -3.56 2.96 -1.26 -4.29 118.68 112.12 1nia s LEU 72 Ca 0.79 1.53 -0.06 0.00 -0.22 0.00 0.00 54.13 56.17 1nia s LEU 72 Cb -0.34 -3.48 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 1nia s LEU 72 CO 0.40 -0.30 0.05 -0.04 -1.32 0.00 0.00 176.35 175.14 1nia s MET 73 N 1.35 3.68 -0.07 1.98 -1.94 -0.92 -4.57 119.30 118.80 1nia s MET 73 Ca 0.48 -0.35 0.03 0.00 -1.71 0.00 0.00 55.69 54.14 1nia s MET 73 Cb -0.19 -3.09 0.01 0.00 2.01 0.00 0.00 34.83 33.57 1nia s MET 73 CO 0.23 0.42 -0.16 0.08 -0.01 0.00 0.00 175.02 175.58 1nia s VAL 74 N -0.05 1.42 0.35 -6.03 1.01 -1.26 0.37 120.40 116.21 1nia s VAL 74 Ca 0.06 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1nia s VAL 74 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1nia s VAL 74 CO 0.01 0.42 0.36 1.33 0.00 0.00 0.00 175.10 177.22 1nia n VAL 75 N 3.70 0.00 -4.28 2.92 0.24 -0.32 -4.98 118.33 115.61 1nia n VAL 75 Ca -0.22 -2.25 -0.28 0.00 -2.04 0.00 0.00 64.34 59.55 1nia n VAL 75 Cb 0.52 1.20 -0.10 0.00 -1.47 0.00 0.00 33.84 34.00 1nia n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1nia s HIS 76 N -3.20 2.64 0.08 6.34 3.76 -1.26 -0.79 115.29 122.86 1nia s HIS 76 Ca 0.37 -0.21 -0.36 0.00 -0.15 0.00 0.00 55.06 54.71 1nia s HIS 76 Cb 0.01 -1.32 -0.15 0.00 1.11 0.00 0.00 32.58 32.22 1nia s HIS 76 CO 0.26 0.48 1.47 -1.91 -0.85 0.00 0.00 174.74 174.20 1nia n GLU 77 N 0.25 1.54 -0.91 1.40 2.13 0.47 -1.34 120.64 124.17 1nia n GLU 77 Ca -0.12 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1nia n GLU 77 Cb 0.55 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 30.00 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 3.22 -1.26 -4.86 4.31 5.03 0.10 -4.77 115.26 117.04 1nia n ASN 78 Ca 0.19 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.34 1nia n ASN 78 Cb 0.22 -0.21 0.06 0.00 -1.02 0.00 0.00 39.78 38.84 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 -2.54 5.08 -0.16 6.41 1.01 -0.45 -4.65 116.67 121.37 1nia s ASP 79 Ca 0.00 1.16 -0.04 0.00 0.71 0.00 0.00 52.55 54.38 1nia s ASP 79 Cb 0.00 -1.91 -0.03 0.00 1.01 0.00 0.00 42.92 41.99 1nia s ASP 79 CO 0.00 -1.58 -0.04 -0.31 0.21 0.00 0.00 175.17 173.45 1nia s TYR 80 N -3.31 3.00 -0.22 4.23 1.51 0.75 -1.53 117.35 121.78 1nia s TYR 80 Ca 0.59 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 56.15 1nia s TYR 80 Cb -0.12 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 1nia s TYR 80 CO 0.52 -0.10 0.25 0.08 -1.11 0.00 0.00 175.55 175.20 1nia s VAL 81 N 0.48 5.30 -0.25 0.71 1.01 0.14 -0.44 120.40 127.34 1nia s VAL 81 Ca -0.04 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1nia s VAL 81 Cb -0.14 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1nia s VAL 81 CO 0.03 0.31 -0.09 -0.70 0.00 0.00 0.00 175.10 174.64 1nia s GLU 82 N 1.15 2.07 -0.19 2.72 2.12 -0.48 -1.40 118.70 124.70 1nia s GLU 82 Ca 0.12 -1.24 -0.05 0.00 0.36 0.00 0.00 54.97 54.16 1nia s GLU 82 Cb -0.14 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 1nia s GLU 82 CO 0.06 -0.57 0.00 -1.17 -0.54 0.00 0.00 175.26 173.04 1nia s LEU 83 N 1.19 3.37 -0.37 2.70 2.96 -0.10 -1.08 118.68 127.34 1nia s LEU 83 Ca -0.08 -0.13 -0.15 0.00 -0.22 0.00 0.00 54.13 53.56 1nia s LEU 83 Cb -0.20 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1nia s LEU 83 CO -0.05 0.11 0.31 -0.60 -1.32 0.00 0.00 176.35 174.80 1nia s ARG 84 N 0.72 3.34 -0.24 1.98 3.52 0.12 -1.52 118.95 126.86 1nia s ARG 84 Ca 0.00 -0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 54.83 1nia s ARG 84 Cb -0.14 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.34 1nia s ARG 84 CO 0.02 -0.59 0.10 -1.17 -0.81 0.00 0.00 175.30 172.85 1nia s LEU 85 N 1.84 3.67 -0.11 -0.88 2.96 0.41 -1.56 118.68 125.01 1nia s LEU 85 Ca 0.08 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1nia s LEU 85 Cb -0.18 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1nia s LEU 85 CO 0.11 0.00 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.37 1nia s ILE 86 N 1.42 2.93 -0.48 6.68 1.01 -0.59 -1.27 121.20 130.90 1nia s ILE 86 Ca 0.06 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1nia s ILE 86 Cb -0.15 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.24 1nia s ILE 86 CO 0.05 0.54 0.22 0.21 0.00 0.00 0.00 174.94 175.96 1nia s ASN 87 N 0.18 4.32 0.60 3.58 2.47 0.62 -0.70 114.94 126.01 1nia s ASN 87 Ca -0.08 -2.82 -0.19 0.00 0.42 0.00 0.00 52.86 50.18 1nia s ASN 87 Cb -0.15 -1.57 -0.03 0.00 -1.45 0.00 0.00 41.25 38.04 1nia s ASN 87 CO 0.05 -0.26 1.26 -0.81 -3.72 0.00 0.00 177.10 173.62 1nia n PRO 88 N 3.36 1.28 0.00 0.43 -0.04 -1.26 0.11 135.00 138.87 1nia n PRO 88 Ca 0.05 0.49 0.02 0.00 -0.04 0.00 0.00 63.50 64.02 1nia n PRO 88 Cb 0.34 -2.48 0.13 0.00 -0.04 0.00 0.00 33.50 31.45 1nia n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nia n ASP 89 N -1.38 0.00 0.11 3.54 5.68 -1.26 -1.56 116.55 121.68 1nia n ASP 89 Ca 0.14 0.10 0.13 0.00 -0.50 0.00 0.00 54.79 54.65 1nia n ASP 89 Cb 0.47 -0.19 0.41 0.00 -1.14 0.00 0.00 41.12 40.66 1nia n ASP 89 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1nia n THR 90 N -1.19 0.61 -2.03 2.12 -2.24 -1.26 -4.77 114.28 105.52 1nia n THR 90 Ca 0.03 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 1nia n THR 90 Cb 0.03 -0.62 0.06 0.00 -2.10 0.00 0.00 70.33 67.71 1nia n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1nia s ASN 91 N -4.53 5.03 -0.01 3.42 0.01 -0.60 -4.99 114.94 113.27 1nia s ASN 91 Ca 0.10 0.82 0.05 0.00 -0.71 0.00 0.00 52.86 53.12 1nia s ASN 91 Cb 0.12 -1.52 -0.07 0.00 0.41 0.00 0.00 41.25 40.19 1nia s ASN 91 CO 0.59 -1.54 0.11 0.35 -1.51 0.00 0.00 177.10 175.10 1nia n THR 92 N -3.03 0.00 -4.27 1.60 -2.24 -1.26 -4.76 114.28 100.32 1nia n THR 92 Ca 0.07 -0.14 -0.23 0.00 -2.27 0.00 0.00 64.05 61.47 1nia n THR 92 Cb 0.59 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.22 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 -3.18 3.13 0.23 3.22 1.43 -1.26 -4.87 118.68 117.38 1nia s LEU 93 Ca -0.01 -0.78 -0.20 0.00 -1.03 0.00 0.00 54.13 52.11 1nia s LEU 93 Cb 0.03 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.57 1nia s LEU 93 CO 0.19 -0.13 0.74 -0.22 0.23 0.00 0.00 176.35 177.16 1nia s LEU 94 N -3.72 4.33 0.25 1.79 0.20 -1.26 -4.05 118.68 116.22 1nia s LEU 94 Ca 0.34 1.44 0.00 0.00 0.69 0.00 0.00 54.13 56.60 1nia s LEU 94 Cb -0.04 -3.63 -0.03 0.00 -0.43 0.00 0.00 46.19 42.06 1nia s LEU 94 CO 0.20 0.02 0.23 -1.00 -0.29 0.00 0.00 176.35 175.50 1nia s HIS 95 N -1.54 1.24 0.00 5.38 3.76 -0.68 -4.93 115.29 118.52 1nia s HIS 95 Ca 0.44 -1.39 -0.00 0.00 -0.15 0.00 0.00 55.06 53.95 1nia s HIS 95 Cb -0.17 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.02 1nia s HIS 95 CO 0.21 -0.77 0.00 0.27 -0.85 0.00 0.00 174.74 173.61 1nia n ASN 96 N -0.70 -0.01 -3.74 1.40 6.94 -1.26 -0.80 115.26 117.08 1nia n ASN 96 Ca 0.03 -1.01 -0.12 0.00 -0.02 0.00 0.00 54.58 53.46 1nia n ASN 96 Cb 0.64 0.02 -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 -2.94 -0.01 -0.12 1.53 2.07 -1.26 -4.27 121.20 116.20 1nia s ILE 97 Ca 0.00 0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1nia s ILE 97 Cb -0.00 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.11 1nia s ILE 97 CO 0.00 0.02 -0.15 -0.62 -1.91 0.00 0.00 174.94 172.28 1nia s ASP 98 N 0.65 2.54 -0.24 4.50 2.15 -0.21 -1.94 116.67 124.11 1nia s ASP 98 Ca -0.04 -0.45 -0.09 0.00 0.43 0.00 0.00 52.55 52.40 1nia s ASP 98 Cb -0.05 -1.13 -0.04 0.00 -0.30 0.00 0.00 42.92 41.40 1nia s ASP 98 CO -0.04 -0.01 0.12 -0.36 -0.17 0.00 0.00 175.17 174.71 1nia s PHE 99 N 1.17 3.19 -1.21 -5.34 0.08 0.12 -1.65 117.98 114.33 1nia s PHE 99 Ca -0.02 -0.07 0.11 0.00 0.12 0.00 0.00 56.93 57.07 1nia s PHE 99 Cb -0.14 -2.25 0.53 0.00 -0.57 0.00 0.00 43.02 40.59 1nia s PHE 99 CO -0.05 -0.14 1.32 0.72 -0.10 0.00 0.00 175.22 176.97 1nia n HIS 100 N 4.60 0.00 0.36 0.36 8.25 -0.46 -1.86 115.22 126.47 1nia n HIS 100 Ca -0.15 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.42 1nia n HIS 100 Cb 0.52 -0.40 0.06 0.00 1.12 0.00 0.00 29.99 31.30 1nia n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nia n ALA 101 N -1.40 2.84 -2.37 -1.41 0.00 -1.26 -4.93 120.51 111.99 1nia n ALA 101 Ca 0.04 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 1nia n ALA 101 Cb 0.11 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1nia n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nia s ALA 102 N -3.26 3.56 -0.19 0.00 0.00 -0.78 -4.54 121.76 116.56 1nia s ALA 102 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1nia s ALA 102 Cb 0.12 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.92 1nia s ALA 102 CO 0.77 -0.33 -0.17 0.99 0.00 0.00 0.00 175.76 177.02 1nia s THR 103 N -2.61 2.34 0.00 0.00 2.01 -1.26 -4.71 115.64 111.41 1nia s THR 103 Ca 0.46 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1nia s THR 103 Cb -0.10 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1nia s THR 103 CO 0.41 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.46 1nia n GLY 104 N 4.63 2.21 4.18 4.40 0.00 -1.26 -4.92 105.19 114.43 1nia n GLY 104 Ca -0.20 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 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 1.27 -1.69 -3.72 4.61 0.00 -1.26 -0.09 120.51 119.63 1nia n ALA 105 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 1nia n ALA 105 Cb 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 19.45 17.44 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 -4.40 -3.09 -0.23 0.00 4.32 -1.26 -0.47 117.00 111.86 1nia n LEU 106 Ca -0.15 -0.65 -0.03 0.00 -0.02 0.00 0.00 56.01 55.16 1nia n LEU 106 Cb 0.60 -2.84 -0.01 0.00 -1.62 0.00 0.00 43.42 39.55 1nia n LEU 106 CO 0.83 0.56 -0.03 0.61 -1.22 0.00 0.00 177.39 178.14 1nia n GLY 107 N -1.83 0.59 0.00 -0.72 0.00 0.88 -2.42 105.19 101.69 1nia n GLY 107 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.92 0.21 0.20 -0.02 0.00 0.38 0.10 105.19 104.14 1nia n GLY 108 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.01 2.00 -0.02 0.00 -0.68 -2.60 103.07 101.78 1nia h GLY 109 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1nia h GLY 109 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1nia n ALA 110 N -2.48 2.23 0.51 3.60 0.00 -0.83 -3.40 120.51 120.15 1nia n ALA 110 Ca -0.02 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.40 1nia n ALA 110 Cb 0.35 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 1nia n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nia n LEU 111 N -1.61 1.25 -0.41 0.00 4.32 -1.00 -4.70 117.00 114.86 1nia n LEU 111 Ca 0.06 -0.74 0.07 0.00 -0.02 0.00 0.00 56.01 55.38 1nia n LEU 111 Cb 0.33 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 42.31 1nia n LEU 111 CO 0.26 0.25 0.50 0.35 -1.22 0.00 0.00 177.39 177.52 1nia n THR 112 N -0.30 2.09 -2.22 -5.08 -2.24 -1.09 -4.97 114.28 100.47 1nia n THR 112 Ca 0.05 -2.69 -0.43 0.00 -2.27 0.00 0.00 64.05 58.70 1nia n THR 112 Cb 0.24 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 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 -3.05 3.96 -0.07 -0.78 -0.21 -1.26 -4.22 119.66 114.03 1nia s GLN 113 Ca 0.36 1.65 0.02 0.00 0.02 0.00 0.00 55.36 57.42 1nia s GLN 113 Cb 0.33 -3.95 0.01 0.00 1.00 0.00 0.00 33.01 30.40 1nia s GLN 113 CO -0.01 -1.09 -0.14 0.14 -2.12 0.00 0.00 175.29 172.08 1nia s VAL 114 N 4.55 1.24 0.57 1.09 -7.23 0.02 -4.98 120.40 115.65 1nia s VAL 114 Ca 0.66 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 60.24 1nia s VAL 114 Cb -0.24 -1.12 0.01 0.00 0.56 0.00 0.00 36.38 35.59 1nia s VAL 114 CO 0.25 0.38 0.86 0.20 -0.31 0.00 0.00 175.10 176.48 1nia s ASN 115 N 0.64 5.56 0.23 4.85 0.01 -1.26 -1.69 114.94 123.27 1nia s ASN 115 Ca -0.15 0.57 -0.31 0.00 -0.71 0.00 0.00 52.86 52.26 1nia s ASN 115 Cb -0.16 -1.58 -0.14 0.00 0.41 0.00 0.00 41.25 39.78 1nia s ASN 115 CO 0.04 -1.04 1.35 -2.65 -1.51 0.00 0.00 177.10 173.29 1nia n PRO 116 N -2.50 1.85 -0.45 -0.60 -0.02 -1.26 -1.39 135.00 130.63 1nia n PRO 116 Ca 0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1nia n PRO 116 Cb 0.58 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.11 0.77 3.43 -1.23 0.00 0.29 -4.66 105.19 105.90 1nia n GLY 117 Ca 0.12 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.55 1.56 0.15 1.61 2.02 -0.49 -4.86 118.70 118.14 1nia s GLU 118 Ca 0.00 -1.80 -0.10 0.00 0.02 0.00 0.00 54.97 53.09 1nia s GLU 118 Cb 0.00 -1.10 -0.00 0.00 0.10 0.00 0.00 34.13 33.12 1nia s GLU 118 CO 0.00 0.00 0.29 -1.83 0.02 0.00 0.00 175.26 173.75 1nia s GLU 119 N -3.75 1.11 0.14 1.61 -1.05 -1.26 -0.28 118.70 115.22 1nia s GLU 119 Ca 0.30 -1.08 -0.19 0.00 -0.15 0.00 0.00 54.97 53.85 1nia s GLU 119 Cb 0.04 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 34.17 1nia s GLU 119 CO 0.12 -0.41 0.49 -0.08 0.95 0.00 0.00 175.26 176.33 1nia s THR 120 N -3.93 0.04 -0.11 1.83 -1.32 -0.40 -5.00 115.64 106.76 1nia s THR 120 Ca 0.13 -0.32 -0.01 0.00 -1.21 0.00 0.00 61.69 60.29 1nia s THR 120 Cb 0.03 -1.09 0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1nia s THR 120 CO -0.03 -0.18 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.24 1nia s THR 121 N -3.75 0.96 0.01 5.08 2.01 -1.26 -0.44 115.64 118.25 1nia s THR 121 Ca 0.02 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1nia s THR 121 Cb 0.01 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1nia s THR 121 CO -0.12 0.35 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.86 1nia s LEU 122 N 1.74 3.12 -0.04 4.42 2.96 -0.58 -4.96 118.68 125.34 1nia s LEU 122 Ca 0.05 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1nia s LEU 122 Cb -0.13 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1nia s LEU 122 CO -0.08 0.27 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.52 1nia s ARG 123 N -1.49 1.23 0.06 1.98 3.52 -1.26 -0.93 118.95 122.07 1nia s ARG 123 Ca 0.17 -0.35 -0.05 0.00 -0.13 0.00 0.00 55.73 55.38 1nia s ARG 123 Cb -0.11 -1.10 -0.02 0.00 -1.56 0.00 0.00 34.95 32.16 1nia s ARG 123 CO 0.08 0.09 0.07 -0.59 -0.81 0.00 0.00 175.30 174.14 1nia s PHE 124 N 0.37 0.31 -0.19 5.12 -0.12 -0.49 -4.98 117.98 117.99 1nia s PHE 124 Ca -0.07 -0.74 -0.14 0.00 -0.05 0.00 0.00 56.93 55.93 1nia s PHE 124 Cb -0.11 -0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 42.02 1nia s PHE 124 CO 0.01 -0.42 0.29 0.21 -0.05 0.00 0.00 175.22 175.26 1nia s LYS 125 N -3.46 4.19 -1.21 1.99 2.20 -1.26 -0.69 119.74 121.51 1nia s LYS 125 Ca 0.02 0.03 -0.17 0.00 -0.36 0.00 0.00 55.97 55.49 1nia s LYS 125 Cb 0.04 -3.48 0.10 0.00 -1.51 0.00 0.00 37.83 32.98 1nia s LYS 125 CO -0.08 0.12 1.56 0.00 -0.36 0.00 0.00 175.35 176.59 1nia s ALA 126 N 0.83 3.45 -0.83 3.13 0.00 -0.58 -4.76 121.76 123.00 1nia s ALA 126 Ca 0.15 -2.95 0.26 0.00 0.00 0.00 0.00 51.96 49.42 1nia s ALA 126 Cb -0.13 -4.43 0.98 0.00 0.00 0.00 0.00 23.12 19.53 1nia s ALA 126 CO 0.05 -3.16 1.81 0.25 0.00 0.00 0.00 175.76 174.70 1nia n THR 127 N 5.86 0.42 -4.66 0.00 -2.24 -1.26 0.03 114.28 112.42 1nia n THR 127 Ca 0.41 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.84 1nia n THR 127 Cb 0.46 -0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 67.88 1nia n THR 127 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nia s LYS 128 N -3.07 2.02 0.28 -0.78 1.02 -1.26 -4.81 119.74 113.14 1nia s LYS 128 Ca 0.11 -0.52 -0.26 0.00 0.02 0.00 0.00 55.97 55.32 1nia s LYS 128 Cb 0.14 -1.65 -0.09 0.00 -0.52 0.00 0.00 37.83 35.71 1nia s LYS 128 CO 0.53 0.03 0.90 -1.25 -0.92 0.00 0.00 175.35 174.64 1nia s PRO 129 N 0.69 4.60 0.00 -1.68 0.04 -1.26 -4.77 135.00 132.63 1nia s PRO 129 Ca -0.13 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1nia s PRO 129 Cb -0.16 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1nia s PRO 129 CO 0.03 0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.85 1nia n GLY 130 N 0.84 0.68 3.61 0.56 0.00 0.56 -3.09 105.19 108.35 1nia n GLY 130 Ca 0.00 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.44 4.88 0.28 1.61 -7.23 -0.10 -0.09 120.40 118.30 1nia s VAL 131 Ca 0.00 0.01 0.11 0.00 -1.81 0.00 0.00 61.98 60.28 1nia s VAL 131 Cb 0.00 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 1nia s VAL 131 CO 0.00 0.41 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.66 1nia s PHE 132 N 0.75 2.21 0.10 2.82 0.40 0.56 -4.27 117.98 120.57 1nia s PHE 132 Ca 0.05 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 55.89 1nia s PHE 132 Cb -0.13 -1.01 -0.06 0.00 0.51 0.00 0.00 43.02 42.33 1nia s PHE 132 CO 0.02 0.64 0.42 0.08 0.70 0.00 0.00 175.22 177.08 1nia s VAL 133 N -2.60 5.07 0.03 -0.44 1.01 -1.26 -0.74 120.40 121.46 1nia s VAL 133 Ca 0.29 0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.77 1nia s VAL 133 Cb -0.03 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1nia s VAL 133 CO 0.14 0.24 -0.14 -0.72 0.00 0.00 0.00 175.10 174.61 1nia s TYR 134 N -1.46 1.23 0.16 5.22 -0.85 -0.59 -1.36 117.35 119.70 1nia s TYR 134 Ca 0.35 -0.33 -0.20 0.00 -0.52 0.00 0.00 57.07 56.37 1nia s TYR 134 Cb -0.14 -0.74 0.05 0.00 0.38 0.00 0.00 41.96 41.52 1nia s TYR 134 CO 0.19 0.02 0.55 -3.38 -1.52 0.00 0.00 175.55 171.41 1nia s HIS 135 N -0.75 -0.38 0.37 -3.49 -3.43 -0.66 -0.83 115.29 106.12 1nia s HIS 135 Ca 0.02 0.11 -0.25 0.00 -0.80 0.00 0.00 55.06 54.15 1nia s HIS 135 Cb -0.07 0.48 -0.09 0.00 -1.43 0.00 0.00 32.58 31.46 1nia s HIS 135 CO 0.01 -0.85 1.01 0.00 -2.00 0.00 0.00 174.74 172.91 1nia n ALA 137 N 0.16 0.50 -2.04 0.00 0.00 -1.26 -4.42 120.51 113.45 1nia n ALA 137 Ca 0.04 -2.39 -0.41 0.00 0.00 0.00 0.00 53.44 50.67 1nia n ALA 137 Cb 0.50 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.39 4.41 -0.17 0.00 0.02 -1.26 -4.86 135.00 132.75 1nia s PRO 138 Ca 0.33 2.00 -0.37 0.00 0.02 0.00 0.00 61.00 62.98 1nia s PRO 138 Cb 0.22 -3.21 -0.14 0.00 0.02 0.00 0.00 34.50 31.39 1nia s PRO 138 CO -0.16 -0.23 1.76 -1.91 -0.33 0.00 0.00 177.00 176.13 1nia n GLU 139 N 2.73 1.57 0.00 5.54 4.07 -1.26 -1.67 120.64 131.61 1nia n GLU 139 Ca 0.06 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 1nia n GLU 139 Cb 0.43 -2.32 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 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 4.12 2.95 1.40 8.31 0.00 -1.26 -4.82 105.19 115.88 1nia n GLY 140 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.49 0.02 1.61 0.00 -0.67 -4.92 117.12 114.65 1nia n MET 141 Ca 0.00 -3.10 -0.11 0.00 0.00 0.00 0.00 57.70 54.49 1nia n MET 141 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 33.22 31.90 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 3.55 0.00 -0.40 3.17 2.07 -1.82 -1.89 116.25 120.93 1nia h VAL 142 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1nia h VAL 142 Cb 1.39 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1nia h VAL 142 CO 0.18 0.00 0.28 1.55 0.02 0.00 0.00 177.57 179.60 1nia h PRO 143 N -0.44 0.12 -0.37 1.57 0.13 -1.91 -1.93 132.00 129.17 1nia h PRO 143 Ca 0.01 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1nia h PRO 143 Cb 0.48 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1nia h PRO 143 CO -0.26 0.08 -0.03 2.35 -0.23 0.00 0.00 178.00 179.91 1nia h TRP 144 N 0.13 0.74 -0.31 1.56 7.01 -1.75 -0.43 115.95 122.89 1nia h TRP 144 Ca 0.19 -0.14 -0.17 0.00 2.11 0.00 0.00 58.89 60.87 1nia h TRP 144 Cb 0.57 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1nia h TRP 144 CO -0.00 0.78 -0.49 0.45 -2.79 0.00 0.00 178.44 176.40 1nia h HIS 145 N 0.48 1.09 -0.33 2.65 3.86 -1.03 -2.93 115.15 118.94 1nia h HIS 145 Ca 0.10 -0.37 -0.07 0.00 -1.16 0.00 0.00 60.37 58.87 1nia h HIS 145 Cb 0.51 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1nia h HIS 145 CO 0.04 1.20 -0.06 0.28 0.86 0.00 0.00 177.93 180.25 1nia h VAL 146 N 0.68 1.27 0.00 2.45 2.07 -1.24 -2.44 116.25 119.04 1nia h VAL 146 Ca 0.03 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1nia h VAL 146 Cb 1.09 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1nia h VAL 146 CO 0.11 0.35 0.00 0.35 0.02 0.00 0.00 177.57 178.41 1nia n THR 147 N -4.46 0.03 -0.48 2.57 -2.24 -0.18 -2.29 114.28 107.23 1nia n THR 147 Ca -0.02 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1nia n THR 147 Cb 0.31 -0.62 0.35 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.04 4.40 0.00 3.42 7.64 -1.11 -4.59 113.62 122.35 1nia n SER 148 Ca 0.18 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1nia n SER 148 Cb 0.10 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 1.41 0.76 2.77 0.23 0.00 -0.97 -1.58 105.19 107.81 1nia n GLY 149 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.25 3.24 -3.45 1.61 0.00 -0.88 -4.58 117.12 110.81 1nia n MET 150 Ca 0.00 -3.00 -0.12 0.00 0.00 0.00 0.00 57.70 54.58 1nia n MET 150 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 33.22 30.09 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 2.10 -0.54 0.00 6.12 2.20 -1.26 -1.84 114.94 121.72 1nia s ASN 151 Ca 0.44 0.10 0.00 0.00 -0.94 0.00 0.00 52.86 52.46 1nia s ASN 151 Cb 0.12 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.92 1nia s ASN 151 CO -0.05 -0.85 0.00 0.61 -2.94 0.00 0.00 177.10 173.87 1nia n GLY 152 N -0.17 3.13 3.26 0.45 0.00 -0.01 -0.90 105.19 110.95 1nia n GLY 152 Ca -0.16 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.70 -0.04 4.61 0.00 -1.26 -1.55 121.76 121.82 1nia s ALA 153 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1nia s ALA 153 Cb 0.00 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1nia s ALA 153 CO 0.00 -0.45 -0.09 -1.50 0.00 0.00 0.00 175.76 173.71 1nia s ILE 154 N -2.82 0.86 -0.23 0.00 2.07 0.08 -2.17 121.20 118.98 1nia s ILE 154 Ca -0.03 -0.37 -0.06 0.00 -1.41 0.00 0.00 60.65 58.78 1nia s ILE 154 Cb 0.00 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.78 1nia s ILE 154 CO -0.05 0.28 0.02 -0.32 -1.91 0.00 0.00 174.94 172.96 1nia s MET 155 N 0.42 3.58 -0.58 3.50 -2.45 0.16 -0.32 119.30 123.61 1nia s MET 155 Ca -0.07 -0.52 -0.09 0.00 -1.25 0.00 0.00 55.69 53.75 1nia s MET 155 Cb -0.11 -3.18 0.15 0.00 1.25 0.00 0.00 34.83 32.93 1nia s MET 155 CO 0.01 -0.14 0.46 0.08 1.05 0.00 0.00 175.02 176.48 1nia s VAL 156 N 1.41 4.42 0.47 10.11 1.01 0.87 -1.17 120.40 137.52 1nia s VAL 156 Ca 0.05 -2.16 -0.20 0.00 0.00 0.00 0.00 61.98 59.67 1nia s VAL 156 Cb -0.15 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1nia s VAL 156 CO 0.01 -0.85 1.00 -0.76 0.00 0.00 0.00 175.10 174.50 1nia s LEU 157 N 0.83 3.85 0.53 3.92 1.43 0.03 -0.32 118.68 128.95 1nia s LEU 157 Ca 0.10 1.80 -0.20 0.00 -1.03 0.00 0.00 54.13 54.80 1nia s LEU 157 Cb -0.22 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.40 1nia s LEU 157 CO -0.03 -0.62 1.17 -2.84 0.23 0.00 0.00 176.35 174.27 1nia s PRO 158 N -3.31 3.35 0.64 1.29 0.02 -1.26 -0.39 135.00 135.35 1nia s PRO 158 Ca 0.64 1.74 0.36 0.00 0.02 0.00 0.00 61.00 63.76 1nia s PRO 158 Cb -0.13 -2.10 2.01 0.00 0.02 0.00 0.00 34.50 34.30 1nia s PRO 158 CO 0.19 -0.88 2.19 0.00 -0.33 0.00 0.00 177.00 178.17 1nia h ARG 159 N 1.35 0.00 -0.47 5.54 3.08 -1.89 -0.81 114.38 121.17 1nia h ARG 159 Ca -0.50 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.37 1nia h ARG 159 Cb 1.27 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.21 1nia h ARG 159 CO 0.57 0.00 0.10 -0.40 -1.07 0.00 0.00 179.97 179.17 1nia n ASP 160 N -3.27 3.44 -0.43 7.04 5.75 -1.26 -1.56 116.55 126.26 1nia n ASP 160 Ca -0.02 -3.45 0.00 0.00 -0.01 0.00 0.00 54.79 51.32 1nia n ASP 160 Cb 0.21 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 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 -0.79 -1.50 3.84 6.12 0.00 -0.31 -4.88 105.19 107.67 1nia n GLY 161 Ca 0.35 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 3.89 0.09 0.99 1.43 -1.26 -4.43 118.68 119.38 1nia s LEU 162 Ca 0.00 1.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1nia s LEU 162 Cb 0.00 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.79 1nia s LEU 162 CO 0.00 -0.38 -0.11 -0.54 0.23 0.00 0.00 176.35 175.55 1nia s LYS 163 N -3.39 0.81 0.01 1.70 -0.14 -1.26 -1.33 119.74 116.13 1nia s LYS 163 Ca 0.59 -1.06 -0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1nia s LYS 163 Cb -0.10 -0.58 0.00 0.00 -1.68 0.00 0.00 37.83 35.48 1nia s LYS 163 CO 0.19 0.10 0.02 -0.40 -0.76 0.00 0.00 175.35 174.50 1nia n ASP 164 N 0.83 0.02 0.27 2.83 5.68 0.57 -4.79 116.55 121.97 1nia n ASP 164 Ca -0.18 -1.01 0.17 0.00 -0.50 0.00 0.00 54.79 53.26 1nia n ASP 164 Cb 0.56 -0.01 0.92 0.00 -1.14 0.00 0.00 41.12 41.45 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 -0.60 0.11 9.09 -1.89 -1.60 114.58 119.69 1nia h GLU 165 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1nia h GLU 165 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1nia h GLU 165 CO 0.01 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.70 1nia n LYS 166 N -3.73 2.69 -0.69 1.06 5.02 -1.26 -4.96 118.16 116.29 1nia n LYS 166 Ca -0.02 -2.46 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 1nia n LYS 166 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.38 1.13 3.74 0.72 0.00 -0.60 -5.03 105.19 106.53 1nia n GLY 167 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.19 4.71 0.40 1.61 -1.52 -1.26 -4.65 119.66 118.76 1nia s GLN 168 Ca 0.00 1.52 -0.26 0.00 -1.95 0.00 0.00 55.36 54.67 1nia s GLN 168 Cb 0.00 -3.33 -0.11 0.00 -0.22 0.00 0.00 33.01 29.35 1nia s GLN 168 CO 0.00 0.26 1.18 -2.30 -0.25 0.00 0.00 175.29 174.17 1nia n PRO 169 N 2.39 1.74 -4.83 2.91 -0.02 -1.26 -0.32 135.00 135.62 1nia n PRO 169 Ca 0.01 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 1nia n PRO 169 Cb 0.48 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.07 1.91 -0.12 2.45 1.43 -0.44 -4.79 118.68 118.04 1nia s LEU 170 Ca 0.61 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1nia s LEU 170 Cb -0.55 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1nia s LEU 170 CO 0.58 0.09 -0.18 -0.89 0.23 0.00 0.00 176.35 176.18 1nia s THR 171 N 0.62 1.73 0.17 5.49 2.01 -1.26 -4.13 115.64 120.28 1nia s THR 171 Ca -0.14 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 1nia s THR 171 Cb -0.16 -1.56 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 1nia s THR 171 CO 0.04 0.49 0.47 -0.72 -0.69 0.00 0.00 174.62 174.21 1nia s TYR 172 N 0.95 3.49 -0.12 4.92 -0.85 -1.26 -4.80 117.35 119.68 1nia s TYR 172 Ca -0.06 0.78 0.15 0.00 -0.52 0.00 0.00 57.07 57.42 1nia s TYR 172 Cb -0.15 -2.18 -0.24 0.00 0.38 0.00 0.00 41.96 39.77 1nia s TYR 172 CO -0.02 0.38 0.39 -0.25 -1.52 0.00 0.00 175.55 174.52 1nia n ASP 173 N 0.22 0.48 -3.97 -0.18 8.00 0.13 -4.96 116.55 116.27 1nia n ASP 173 Ca -0.03 0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 1nia n ASP 173 Cb 0.52 0.42 -0.12 0.00 -0.02 0.00 0.00 41.12 41.92 1nia n ASP 173 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nia s LYS 174 N -2.55 0.30 -0.04 -1.24 1.02 -0.97 -5.01 119.74 111.25 1nia s LYS 174 Ca -0.07 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.50 1nia s LYS 174 Cb 0.07 -0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1nia s LYS 174 CO 0.83 0.01 -0.06 -1.50 -0.92 0.00 0.00 175.35 173.71 1nia s ILE 175 N -0.88 0.59 0.05 2.17 2.07 -1.26 -1.11 121.20 122.83 1nia s ILE 175 Ca -0.08 -0.19 0.07 0.00 -1.41 0.00 0.00 60.65 59.05 1nia s ILE 175 Cb -0.06 -0.59 -0.03 0.00 0.13 0.00 0.00 42.46 41.92 1nia s ILE 175 CO -0.00 0.22 -0.20 -0.31 -1.91 0.00 0.00 174.94 172.74 1nia s TYR 176 N 0.69 1.73 -0.24 3.50 2.02 -0.12 -4.47 117.35 120.46 1nia s TYR 176 Ca -0.10 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 1nia s TYR 176 Cb -0.13 -1.01 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1nia s TYR 176 CO 0.00 0.10 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.55 1nia s TYR 177 N -0.87 3.06 -0.30 2.71 5.04 0.32 -0.75 117.35 126.55 1nia s TYR 177 Ca 0.06 -1.60 -0.03 0.00 -2.44 0.00 0.00 57.07 53.06 1nia s TYR 177 Cb -0.09 -2.04 0.04 0.00 0.35 0.00 0.00 41.96 40.22 1nia s TYR 177 CO 0.02 -0.74 0.02 0.08 -1.34 0.00 0.00 175.55 173.59 1nia s VAL 178 N 1.31 3.24 -0.25 3.14 1.01 0.60 -4.28 120.40 125.17 1nia s VAL 178 Ca -0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 1nia s VAL 178 Cb -0.17 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1nia s VAL 178 CO -0.05 -0.06 0.16 -0.83 0.00 0.00 0.00 175.10 174.32 1nia s GLY 179 N 1.32 1.94 -0.09 4.51 0.00 -1.26 -1.77 107.32 111.97 1nia s GLY 179 Ca -0.03 -0.98 -0.13 0.00 0.00 0.00 0.00 44.72 43.57 1nia s GLY 179 CO -0.00 0.49 0.33 1.85 0.00 0.00 0.00 173.10 175.76 1nia s GLU 180 N 1.34 4.01 -0.09 2.90 2.12 -0.29 -1.82 118.70 126.88 1nia s GLU 180 Ca 0.07 0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1nia s GLU 180 Cb -0.15 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1nia s GLU 180 CO 0.07 0.48 -0.13 -1.14 -0.54 0.00 0.00 175.26 173.99 1nia s GLN 181 N -0.31 1.93 -0.24 4.30 2.00 0.57 -4.50 119.66 123.42 1nia s GLN 181 Ca 0.20 -0.47 -0.14 0.00 -2.00 0.00 0.00 55.36 52.95 1nia s GLN 181 Cb -0.14 -1.65 -0.04 0.00 0.80 0.00 0.00 33.01 31.97 1nia s GLN 181 CO 0.08 -0.04 0.34 0.16 -0.50 0.00 0.00 175.29 175.33 1nia s ASP 182 N 0.92 6.29 0.04 6.67 -4.77 -1.26 -1.14 116.67 123.41 1nia s ASP 182 Ca -0.09 0.33 0.04 0.00 -3.30 0.00 0.00 52.55 49.53 1nia s ASP 182 Cb -0.15 -2.20 -0.04 0.00 -1.09 0.00 0.00 42.92 39.45 1nia s ASP 182 CO 0.00 -0.10 -0.07 -0.36 0.70 0.00 0.00 175.17 175.35 1nia s PHE 183 N 1.60 2.86 -0.58 2.11 0.08 0.42 -4.76 117.98 119.71 1nia s PHE 183 Ca 0.15 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.17 1nia s PHE 183 Cb -0.15 -1.56 0.16 0.00 -0.57 0.00 0.00 43.02 40.91 1nia s PHE 183 CO 0.08 0.39 0.41 0.71 -0.10 0.00 0.00 175.22 176.71 1nia s TYR 184 N -1.08 2.61 -0.16 0.36 1.51 -1.26 -0.51 117.35 118.81 1nia s TYR 184 Ca 0.19 -2.91 -0.27 0.00 -1.01 0.00 0.00 57.07 53.07 1nia s TYR 184 Cb -0.11 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1nia s TYR 184 CO 0.10 -0.67 0.92 0.08 -1.11 0.00 0.00 175.55 174.87 1nia s VAL 185 N -0.72 4.82 0.51 0.71 1.01 -1.26 -4.75 120.40 120.70 1nia s VAL 185 Ca 0.26 1.83 -0.23 0.00 0.00 0.00 0.00 61.98 63.83 1nia s VAL 185 Cb -0.05 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1nia s VAL 185 CO -0.15 -0.01 1.39 -2.84 0.00 0.00 0.00 175.10 173.48 1nia s PRO 186 N 2.28 3.37 0.27 2.72 0.02 -1.26 -4.88 135.00 137.52 1nia s PRO 186 Ca 0.42 2.31 0.07 0.00 0.02 0.00 0.00 61.00 63.83 1nia s PRO 186 Cb -0.17 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 31.88 1nia s PRO 186 CO 0.13 -1.03 -0.09 0.15 -0.33 0.00 0.00 177.00 175.82 1nia s LYS 187 N -2.72 1.52 0.00 5.54 1.02 -1.26 -0.81 119.74 123.04 1nia s LYS 187 Ca 0.67 -1.75 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1nia s LYS 187 Cb -0.42 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.66 1nia s LYS 187 CO 0.51 0.10 0.00 -0.40 -0.92 0.00 0.00 175.35 174.64 1nia n ASP 188 N -0.55 0.00 -0.01 2.83 5.68 0.14 -4.88 116.55 119.76 1nia n ASP 188 Ca -0.06 -0.45 -0.11 0.00 -0.50 0.00 0.00 54.79 53.67 1nia n ASP 188 Cb 0.62 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.55 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 0.16 0.00 0.11 3.07 -2.02 -2.93 114.58 112.96 1nia h GLU 189 Ca 0.00 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1nia h GLU 189 Cb 0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1nia h GLU 189 CO 0.00 0.15 -0.17 0.00 -1.40 0.00 0.00 179.01 177.59 1nia h ALA 190 N 1.00 1.43 0.00 3.43 0.00 -2.05 -3.45 119.26 119.61 1nia h ALA 190 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nia h ALA 190 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nia h ALA 190 CO -0.01 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1nia n GLY 191 N -0.77 1.54 3.73 0.00 0.00 -1.11 -5.10 105.19 103.48 1nia n GLY 191 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 6.84 0.43 1.61 0.01 -1.26 -4.79 114.94 115.78 1nia s ASN 192 Ca 0.00 1.00 -0.25 0.00 -0.71 0.00 0.00 52.86 52.90 1nia s ASN 192 Cb 0.00 -2.34 -0.08 0.00 0.41 0.00 0.00 41.25 39.23 1nia s ASN 192 CO 0.00 -0.02 1.38 -0.31 -1.51 0.00 0.00 177.10 176.64 1nia s TYR 193 N 0.53 2.59 0.33 2.20 2.02 -1.26 -0.69 117.35 123.08 1nia s TYR 193 Ca 0.31 1.32 -0.09 0.00 -0.37 0.00 0.00 57.07 58.23 1nia s TYR 193 Cb -0.17 -3.82 -0.07 0.00 -0.40 0.00 0.00 41.96 37.51 1nia s TYR 193 CO 0.14 -2.62 0.67 0.15 -1.57 0.00 0.00 175.55 172.32 1nia s LYS 194 N -2.38 3.77 0.03 -0.62 3.01 0.01 -4.88 119.74 118.69 1nia s LYS 194 Ca 0.60 0.33 0.07 0.00 -1.01 0.00 0.00 55.97 55.96 1nia s LYS 194 Cb -0.41 -2.51 -0.02 0.00 -1.01 0.00 0.00 37.83 33.87 1nia s LYS 194 CO 0.53 0.12 -0.21 0.15 0.51 0.00 0.00 175.35 176.45 1nia s LYS 195 N -3.48 1.50 0.13 1.68 1.02 -1.26 -4.83 119.74 114.50 1nia s LYS 195 Ca 0.49 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 55.61 1nia s LYS 195 Cb -0.11 -1.58 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1nia s LYS 195 CO 0.27 0.41 -0.10 0.71 -0.92 0.00 0.00 175.35 175.72 1nia s TYR 196 N -0.73 1.21 0.01 3.18 2.02 -1.26 -5.06 117.35 116.72 1nia s TYR 196 Ca 0.08 -0.73 -0.16 0.00 -0.37 0.00 0.00 57.07 55.89 1nia s TYR 196 Cb -0.09 -0.63 -0.35 0.00 -0.40 0.00 0.00 41.96 40.50 1nia s TYR 196 CO 0.01 0.05 0.94 1.05 -1.57 0.00 0.00 175.55 176.04 1nia h GLU 197 N 3.03 0.51 -4.93 -0.62 4.11 -2.01 -3.48 114.58 111.19 1nia h GLU 197 Ca -0.37 -0.87 -0.33 0.00 0.07 0.00 0.00 59.36 57.86 1nia h GLU 197 Cb 1.19 0.33 -0.15 0.00 0.50 0.00 0.00 28.75 30.62 1nia h GLU 197 CO 0.60 1.42 -0.66 0.95 0.07 0.00 0.00 179.01 181.38 1nia s THR 198 N -2.59 0.85 0.11 -1.06 -4.23 -1.26 -5.07 115.64 102.40 1nia s THR 198 Ca -0.10 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.18 1nia s THR 198 Cb 0.04 -2.18 -0.09 0.00 1.34 0.00 0.00 72.50 71.61 1nia s THR 198 CO 0.93 -0.44 1.72 -0.65 -0.54 0.00 0.00 174.62 175.64 1nia h PRO 199 N 2.62 -0.01 -0.89 3.99 0.11 -1.94 -2.91 132.00 132.97 1nia h PRO 199 Ca -0.37 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.89 1nia h PRO 199 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1nia h PRO 199 CO 0.63 -0.01 0.57 0.78 -0.21 0.00 0.00 178.00 179.77 1nia h GLY 200 N -0.01 1.15 1.68 -0.55 0.00 -1.99 0.14 103.07 103.50 1nia h GLY 200 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1nia h GLY 200 CO -0.10 0.07 0.12 -2.09 0.00 0.00 0.00 176.54 174.54 1nia h GLU 201 N 0.64 0.41 0.00 4.80 4.81 -1.93 -2.48 114.58 120.83 1nia h GLU 201 Ca 0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1nia h GLU 201 Cb 0.80 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1nia h GLU 201 CO -0.21 0.34 -0.02 0.00 -0.73 0.00 0.00 179.01 178.40 1nia h ALA 202 N 1.72 0.99 -0.50 2.92 0.00 -0.73 -3.40 119.26 120.26 1nia h ALA 202 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1nia h ALA 202 Cb 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1nia h ALA 202 CO -0.01 0.00 -0.41 -0.92 0.00 0.00 0.00 179.25 177.91 1nia h TYR 203 N 0.00 -1.20 -0.70 0.00 3.20 -1.12 -0.05 116.97 117.11 1nia h TYR 203 Ca 0.00 0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1nia h TYR 203 Cb 0.98 0.60 -0.05 0.00 1.54 0.00 0.00 36.73 39.79 1nia h TYR 203 CO 0.00 -0.42 0.41 0.93 -1.64 0.00 0.00 178.16 177.44 1nia h GLU 204 N -0.26 0.74 -0.01 1.82 4.39 -1.79 -1.57 114.58 117.91 1nia h GLU 204 Ca 0.17 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.69 1nia h GLU 204 Cb 0.57 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1nia h GLU 204 CO -0.64 0.49 -0.64 -0.44 -1.16 0.00 0.00 179.01 176.63 1nia h ASP 205 N 0.76 0.04 -0.10 1.42 3.32 -1.79 -3.11 116.42 116.97 1nia h ASP 205 Ca 0.30 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1nia h ASP 205 Cb 0.14 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1nia h ASP 205 CO -0.16 0.66 0.02 0.00 -1.72 0.00 0.00 179.24 178.04 1nia h ALA 206 N 1.34 0.13 -0.44 3.45 0.00 -0.30 -1.83 119.26 121.61 1nia h ALA 206 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1nia h ALA 206 Cb 1.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1nia h ALA 206 CO 0.09 -0.23 0.19 0.28 0.00 0.00 0.00 179.25 179.58 1nia h VAL 207 N -0.07 0.93 -0.43 0.00 2.07 -1.34 0.10 116.25 117.51 1nia h VAL 207 Ca 0.03 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1nia h VAL 207 Cb 0.28 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1nia h VAL 207 CO 0.00 0.07 0.28 0.11 0.02 0.00 0.00 177.57 178.05 1nia h LYS 208 N 0.39 0.57 -0.66 1.57 1.57 -1.47 -1.85 116.57 116.69 1nia h LYS 208 Ca 0.19 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1nia h LYS 208 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1nia h LYS 208 CO -0.16 0.39 0.24 0.00 -0.57 0.00 0.00 179.45 179.35 1nia h ALA 209 N 1.15 1.18 -0.59 3.86 0.00 -0.83 -2.90 119.26 121.12 1nia h ALA 209 Ca 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nia h ALA 209 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1nia h ALA 209 CO -0.03 0.59 0.15 0.52 0.00 0.00 0.00 179.25 180.47 1nia h MET 210 N 0.96 0.94 0.00 0.00 2.86 -0.57 -2.90 114.93 116.21 1nia h MET 210 Ca 0.22 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1nia h MET 210 Cb 0.22 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1nia h MET 210 CO -0.01 0.87 0.00 0.00 1.06 0.00 0.00 176.91 178.82 1nia h ARG 211 N 0.85 0.00 0.00 1.72 3.08 -1.13 -0.44 114.38 118.47 1nia h ARG 211 Ca 0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1nia h ARG 211 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1nia h ARG 211 CO 0.00 0.00 -0.14 1.79 -1.07 0.00 0.00 179.97 180.56 1nia h THR 212 N 0.00 0.32 0.00 2.04 1.35 -1.55 -3.47 112.91 111.60 1nia h THR 212 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1nia h THR 212 Cb 0.03 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1nia h THR 212 CO 0.00 0.13 0.00 0.18 -0.25 0.00 0.00 175.52 175.58 1nia n LEU 213 N -3.25 0.59 -4.11 3.87 4.32 -0.17 -4.97 117.00 113.27 1nia n LEU 213 Ca 0.01 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1nia n LEU 213 Cb 0.41 -1.60 -0.14 0.00 -1.62 0.00 0.00 43.42 40.46 1nia n LEU 213 CO 0.32 -0.56 -0.41 -0.89 -1.22 0.00 0.00 177.39 174.62 1nia s THR 214 N -1.49 2.53 0.62 -5.08 2.01 -1.26 -5.11 115.64 107.86 1nia s THR 214 Ca 0.00 -1.56 -0.18 0.00 0.31 0.00 0.00 61.69 60.26 1nia s THR 214 Cb 0.00 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1nia s THR 214 CO 0.00 -0.09 1.20 -2.84 -0.69 0.00 0.00 174.62 172.21 1nia s PRO 215 N 1.16 2.84 -0.08 4.92 0.02 -1.26 -4.93 135.00 137.67 1nia s PRO 215 Ca -0.07 1.80 0.14 0.00 0.02 0.00 0.00 61.00 62.89 1nia s PRO 215 Cb -0.20 -1.92 -0.23 0.00 0.02 0.00 0.00 34.50 32.17 1nia s PRO 215 CO -0.03 -1.30 0.51 0.25 -0.33 0.00 0.00 177.00 176.10 1nia n THR 216 N -1.79 1.52 -3.94 0.99 -2.24 0.33 -4.93 114.28 104.22 1nia n THR 216 Ca 0.13 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 61.00 1nia n THR 216 Cb 0.50 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.59 0.16 -0.18 4.78 3.76 -1.08 -4.89 115.29 115.24 1nia s HIS 217 Ca -0.06 -0.24 -0.04 0.00 -0.15 0.00 0.00 55.06 54.57 1nia s HIS 217 Cb 0.08 -0.11 0.06 0.00 1.11 0.00 0.00 32.58 33.72 1nia s HIS 217 CO 0.83 -0.08 0.06 0.42 -0.85 0.00 0.00 174.74 175.12 1nia s ILE 218 N -0.66 0.22 0.14 0.60 1.01 -0.63 -0.44 121.20 121.44 1nia s ILE 218 Ca -0.07 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1nia s ILE 218 Cb -0.05 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1nia s ILE 218 CO -0.00 -0.23 -0.11 0.68 0.00 0.00 0.00 174.94 175.27 1nia s VAL 219 N 2.00 1.21 -0.14 2.92 -7.23 -0.29 -0.49 120.40 118.38 1nia s VAL 219 Ca 0.01 -1.92 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 1nia s VAL 219 Cb -0.16 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1nia s VAL 219 CO -0.08 -0.63 0.15 -0.36 -0.31 0.00 0.00 175.10 173.87 1nia s PHE 220 N -2.87 3.55 -1.46 2.82 0.08 -1.26 -0.31 117.98 118.52 1nia s PHE 220 Ca 0.13 0.49 -0.03 0.00 0.12 0.00 0.00 56.93 57.65 1nia s PHE 220 Cb -0.00 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 1nia s PHE 220 CO 0.02 0.60 0.29 -1.71 -0.10 0.00 0.00 175.22 174.32 1nia n ASN 221 N 2.44 -5.17 0.00 1.36 4.05 -0.75 -3.09 115.26 114.09 1nia n ASN 221 Ca -0.18 -0.13 0.00 0.00 0.45 0.00 0.00 54.58 54.72 1nia n ASN 221 Cb 0.54 -4.26 0.00 0.00 1.23 0.00 0.00 39.78 37.29 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 -1.17 1.68 3.49 8.20 0.00 -1.01 -4.77 105.19 111.61 1nia n GLY 222 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.62 -1.75 0.18 4.61 0.00 -1.18 -4.65 121.76 116.35 1nia s ALA 223 Ca 0.00 0.98 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 1nia s ALA 223 Cb 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 23.12 23.35 1nia s ALA 223 CO 0.00 -0.59 1.56 0.08 0.00 0.00 0.00 175.76 176.81 1nia s VAL 224 N -2.61 2.59 -0.31 0.00 1.01 -0.51 -1.78 120.40 118.79 1nia s VAL 224 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1nia s VAL 224 Cb -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1nia s VAL 224 CO -0.04 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1nia n GLY 225 N 3.58 0.53 0.27 4.51 0.00 -1.26 -4.84 105.19 107.98 1nia n GLY 225 Ca 0.13 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 1.81 -0.91 4.61 0.00 -1.56 -2.52 119.26 120.69 1nia h ALA 226 Ca -0.06 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.25 1nia h ALA 226 Cb 0.51 -0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.91 1nia h ALA 226 CO 0.09 0.00 -0.24 1.28 0.00 0.00 0.00 179.25 180.38 1nia n LEU 227 N -4.27 5.82 -4.49 0.00 4.77 -1.26 -4.77 117.00 112.79 1nia n LEU 227 Ca -0.03 -4.67 -0.24 0.00 -0.03 0.00 0.00 56.01 51.04 1nia n LEU 227 Cb 0.09 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 1nia n LEU 227 CO 0.31 1.93 -0.22 0.42 -1.33 0.00 0.00 177.39 178.50 1nia s THR 228 N -4.78 0.77 0.00 -5.08 -4.23 -0.95 -0.23 115.64 101.14 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 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1nia s THR 228 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1nia n GLY 229 N -0.84 3.26 0.02 3.99 0.00 -1.26 -0.54 105.19 109.81 1nia n GLY 229 Ca -0.05 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 3.45 0.08 -1.02 1.61 5.75 -1.26 -1.49 116.55 123.68 1nia n ASP 230 Ca 0.00 0.53 0.08 0.00 -0.01 0.00 0.00 54.79 55.39 1nia n ASP 230 Cb 0.00 -0.54 0.25 0.00 -1.03 0.00 0.00 41.12 39.79 1nia n ASP 230 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1nia n HIS 231 N -1.60 0.85 -2.08 2.11 8.25 0.29 -5.01 115.22 118.04 1nia n HIS 231 Ca 0.01 -0.58 -0.36 0.00 -0.26 0.00 0.00 57.72 56.53 1nia n HIS 231 Cb 0.05 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.07 1nia n HIS 231 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nia s ALA 232 N -1.44 2.65 0.31 -1.41 0.00 -0.55 -4.05 121.76 117.27 1nia s ALA 232 Ca 0.37 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 1nia s ALA 232 Cb 0.22 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1nia s ALA 232 CO 0.20 -1.03 1.15 -0.51 0.00 0.00 0.00 175.76 175.57 1nia s LEU 233 N -3.83 4.47 0.16 0.00 1.43 0.20 -4.78 118.68 116.33 1nia s LEU 233 Ca 0.74 2.36 0.07 0.00 -1.03 0.00 0.00 54.13 56.28 1nia s LEU 233 Cb -0.30 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 1nia s LEU 233 CO 0.33 -0.29 -0.04 0.42 0.23 0.00 0.00 176.35 177.00 1nia s THR 234 N -1.20 3.57 0.22 5.49 -4.23 -1.26 -0.06 115.64 118.17 1nia s THR 234 Ca 0.47 -1.41 -0.22 0.00 -1.18 0.00 0.00 61.69 59.35 1nia s THR 234 Cb -0.33 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 70.81 1nia s THR 234 CO 0.43 -0.05 0.93 0.00 -0.54 0.00 0.00 174.62 175.39 1nia s ALA 235 N -1.60 -1.42 0.06 3.99 0.00 -0.97 -4.94 121.76 116.89 1nia s ALA 235 Ca 0.26 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1nia s ALA 235 Cb -0.10 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 1nia s ALA 235 CO 0.17 -1.04 -0.08 0.00 0.00 0.00 0.00 175.76 174.81 1nia s ALA 236 N -2.80 0.76 0.16 0.00 0.00 -1.26 -1.73 121.76 116.89 1nia s ALA 236 Ca 0.16 -0.98 -0.34 0.00 0.00 0.00 0.00 51.96 50.81 1nia s ALA 236 Cb -0.03 0.07 -0.13 0.00 0.00 0.00 0.00 23.12 23.02 1nia s ALA 236 CO 0.06 -0.07 1.61 0.28 0.00 0.00 0.00 175.76 177.64 1nia n VAL 237 N 0.95 0.01 0.00 0.00 0.31 0.29 -1.17 118.33 118.73 1nia n VAL 237 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1nia n VAL 237 Cb 0.57 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 3.54 2.57 3.74 2.92 0.00 0.48 -4.99 105.19 113.46 1nia n GLY 238 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.83 4.78 -0.27 1.61 2.02 -0.32 -4.80 118.70 120.88 1nia s GLU 239 Ca 0.00 1.48 -0.16 0.00 0.02 0.00 0.00 54.97 56.31 1nia s GLU 239 Cb 0.00 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 1nia s GLU 239 CO 0.00 0.37 0.43 1.03 0.02 0.00 0.00 175.26 177.11 1nia s ARG 240 N -0.62 4.01 -0.06 1.61 3.00 -1.26 -2.13 118.95 123.50 1nia s ARG 240 Ca 0.44 0.13 0.05 0.00 0.00 0.00 0.00 55.73 56.35 1nia s ARG 240 Cb -0.25 -3.66 -0.01 0.00 0.00 0.00 0.00 34.95 31.03 1nia s ARG 240 CO 0.31 -0.32 -0.23 0.08 0.00 0.00 0.00 175.30 175.14 1nia s VAL 241 N 2.17 2.25 -0.18 3.52 1.01 0.11 0.18 120.40 129.46 1nia s VAL 241 Ca 0.17 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1nia s VAL 241 Cb -0.16 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1nia s VAL 241 CO 0.10 0.57 -0.02 -0.22 0.00 0.00 0.00 175.10 175.52 1nia s LEU 242 N -0.18 3.22 -0.28 3.92 2.96 -0.27 -1.22 118.68 126.83 1nia s LEU 242 Ca -0.03 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1nia s LEU 242 Cb -0.14 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.80 1nia s LEU 242 CO 0.04 0.11 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.46 1nia s VAL 243 N 0.72 2.97 -0.13 1.68 1.01 0.21 -0.94 120.40 125.91 1nia s VAL 243 Ca -0.01 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 1nia s VAL 243 Cb -0.14 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1nia s VAL 243 CO 0.02 0.02 0.60 -0.69 0.00 0.00 0.00 175.10 175.05 1nia s VAL 244 N 1.29 5.08 -0.05 2.92 1.01 0.07 -1.73 120.40 128.99 1nia s VAL 244 Ca -0.03 1.19 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1nia s VAL 244 Cb -0.18 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1nia s VAL 244 CO -0.02 0.22 -0.15 -2.28 0.00 0.00 0.00 175.10 172.87 1nia s HIS 245 N 1.15 1.56 0.11 5.22 5.04 -0.35 -0.29 115.29 127.74 1nia s HIS 245 Ca 0.31 -0.49 0.05 0.00 -1.54 0.00 0.00 55.06 53.38 1nia s HIS 245 Cb -0.16 -1.08 -0.04 0.00 0.04 0.00 0.00 32.58 31.34 1nia s HIS 245 CO 0.13 -0.20 -0.12 -1.54 -2.34 0.00 0.00 174.74 170.66 1nia s SER 246 N 0.26 1.74 -0.25 9.88 1.04 -0.73 -0.59 113.70 125.04 1nia s SER 246 Ca -0.08 -0.79 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 1nia s SER 246 Cb -0.13 -0.04 0.14 0.00 0.10 0.00 0.00 66.02 66.10 1nia s SER 246 CO 0.03 -0.18 0.40 -1.58 0.98 0.00 0.00 173.24 172.88 1nia s GLN 247 N -2.60 0.37 0.00 4.02 -0.44 -0.97 -1.14 119.66 118.90 1nia s GLN 247 Ca 0.06 0.54 0.29 0.00 -2.50 0.00 0.00 55.36 53.76 1nia s GLN 247 Cb -0.05 -0.37 1.33 0.00 -1.64 0.00 0.00 33.01 32.29 1nia s GLN 247 CO 0.02 -0.67 1.95 0.00 0.50 0.00 0.00 175.29 177.09 1nia n ALA 248 N 5.37 2.53 0.00 1.58 0.00 -1.26 0.80 120.51 129.53 1nia n ALA 248 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1nia n ALA 248 Cb 0.50 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.32 0.57 -4.12 0.00 5.15 -1.26 -3.23 115.26 111.04 1nia n ASN 249 Ca 0.11 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.97 1nia n ASN 249 Cb 0.28 0.09 -0.11 0.00 -0.53 0.00 0.00 39.78 39.51 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 -0.62 0.69 0.60 1.20 3.52 -1.26 -4.63 118.95 118.44 1nia s ARG 250 Ca 0.00 -1.01 -0.18 0.00 -0.13 0.00 0.00 55.73 54.41 1nia s ARG 250 Cb 0.00 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 1nia s ARG 250 CO 0.00 0.04 1.14 -0.51 -0.81 0.00 0.00 175.30 175.16 1nia s ASP 251 N -2.19 5.38 0.06 -2.12 1.01 -1.26 -3.19 116.67 114.36 1nia s ASP 251 Ca -0.00 2.15 -0.08 0.00 0.71 0.00 0.00 52.55 55.33 1nia s ASP 251 Cb -0.04 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 1nia s ASP 251 CO -0.01 -1.45 0.17 0.28 0.21 0.00 0.00 175.17 174.37 1nia s THR 252 N -1.95 0.13 -0.51 -1.27 -1.32 -0.39 -4.87 115.64 105.47 1nia s THR 252 Ca 0.71 -1.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.16 1nia s THR 252 Cb -0.24 -1.13 0.17 0.00 -1.51 0.00 0.00 72.50 69.79 1nia s THR 252 CO 0.33 -0.60 0.40 -2.11 -2.21 0.00 0.00 174.62 170.44 1nia n ARG 253 N 0.33 0.76 -1.69 7.08 1.85 -1.26 -0.19 116.66 123.54 1nia n ARG 253 Ca -0.17 -3.62 -0.41 0.00 -1.00 0.00 0.00 57.85 52.65 1nia n ARG 253 Cb 0.61 -1.87 0.01 0.00 -1.05 0.00 0.00 32.46 30.15 1nia n ARG 253 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1nia n PRO 254 N 2.50 1.84 -3.69 2.89 -0.02 -1.12 -0.27 135.00 137.13 1nia n PRO 254 Ca 0.27 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.30 1nia n PRO 254 Cb 0.44 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 1nia n PRO 254 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1nia s HIS 255 N -1.21 -0.68 -0.46 6.00 2.46 0.28 -3.04 115.29 118.64 1nia s HIS 255 Ca 0.61 1.45 -0.15 0.00 0.47 0.00 0.00 55.06 57.45 1nia s HIS 255 Cb -0.51 0.33 0.06 0.00 -0.13 0.00 0.00 32.58 32.33 1nia s HIS 255 CO 0.58 -0.37 0.37 -1.17 -2.47 0.00 0.00 174.74 171.68 1nia s LEU 256 N 1.32 5.49 -0.15 8.88 2.96 -1.26 -0.93 118.68 134.99 1nia s LEU 256 Ca -0.09 -1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 52.28 1nia s LEU 256 Cb -0.07 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1nia s LEU 256 CO -0.13 -0.60 1.63 -0.63 -1.32 0.00 0.00 176.35 175.31 1nia s ILE 257 N 1.64 3.65 0.00 6.68 1.01 0.11 -2.05 121.20 132.24 1nia s ILE 257 Ca 0.04 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1nia s ILE 257 Cb -0.23 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1nia s ILE 257 CO 0.07 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1nia n GLY 258 N 4.43 0.37 0.00 6.18 0.00 -1.26 -3.51 105.19 111.40 1nia n GLY 258 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.52 5.88 3.62 -0.02 0.00 -0.87 -5.02 105.19 107.26 1nia n GLY 259 Ca 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 1nia n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nia s HIS 260 N 0.07 0.50 -0.47 1.61 0.09 -1.26 -4.76 115.29 111.07 1nia s HIS 260 Ca 0.00 -0.88 -0.09 0.00 -0.00 0.00 0.00 55.06 54.09 1nia s HIS 260 Cb 0.00 0.26 0.12 0.00 -0.00 0.00 0.00 32.58 32.96 1nia s HIS 260 CO 0.00 -1.17 0.34 0.20 -0.00 0.00 0.00 174.74 174.11 1nia s GLY 261 N -3.09 2.03 0.15 -2.22 0.00 0.76 -4.74 107.32 100.20 1nia s GLY 261 Ca 0.23 -2.51 -0.16 0.00 0.00 0.00 0.00 44.72 42.28 1nia s GLY 261 CO 0.13 1.10 1.77 -0.55 0.00 0.00 0.00 173.10 175.54 1nia h ASP 262 N 8.44 0.49 -3.21 1.64 3.32 -1.38 0.29 116.42 126.01 1nia h ASP 262 Ca -0.21 -0.07 -0.49 0.00 0.02 0.00 0.00 57.03 56.28 1nia h ASP 262 Cb 1.07 -0.12 -0.37 0.00 0.22 0.00 0.00 39.33 40.13 1nia h ASP 262 CO 0.85 0.41 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.68 1nia s TYR 263 N -5.95 1.16 -0.07 4.55 2.02 -0.82 -2.23 117.35 116.01 1nia s TYR 263 Ca -0.13 -0.51 0.02 0.00 -0.37 0.00 0.00 57.07 56.08 1nia s TYR 263 Cb 0.10 -1.06 0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1nia s TYR 263 CO 0.73 -0.44 -0.12 0.08 -1.57 0.00 0.00 175.55 174.23 1nia s VAL 264 N 1.79 1.14 -0.84 0.71 1.01 0.60 0.18 120.40 124.98 1nia s VAL 264 Ca 0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1nia s VAL 264 Cb -0.12 -1.04 0.21 0.00 0.00 0.00 0.00 36.38 35.42 1nia s VAL 264 CO -0.07 0.36 0.70 0.26 0.00 0.00 0.00 175.10 176.35 1nia s TRP 265 N 0.67 3.81 0.32 5.22 0.51 -0.12 -0.13 118.94 129.22 1nia s TRP 265 Ca -0.15 -3.07 0.08 0.00 -2.12 0.00 0.00 56.10 50.85 1nia s TRP 265 Cb -0.16 -3.14 0.83 0.00 -0.81 0.00 0.00 33.47 30.19 1nia s TRP 265 CO 0.04 -0.71 1.76 0.00 -0.51 0.00 0.00 176.95 177.53 1nia h ALA 266 N 5.96 1.76 -0.67 0.98 0.00 -1.89 0.31 119.26 125.71 1nia h ALA 266 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nia h ALA 266 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1nia h ALA 266 CO 0.82 -0.18 0.00 0.25 0.00 0.00 0.00 179.25 180.14 1nia n THR 267 N -4.81 1.39 -1.86 0.00 -2.24 -1.26 -4.28 114.28 101.22 1nia n THR 267 Ca 0.25 -1.05 -0.19 0.00 -2.27 0.00 0.00 64.05 60.79 1nia n THR 267 Cb 0.67 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.35 1.02 3.31 3.38 0.00 0.10 -4.70 105.19 109.67 1nia n GLY 268 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.14 2.94 0.64 1.61 -0.14 -1.26 -0.92 119.74 118.46 1nia s LYS 269 Ca 0.00 -0.96 0.42 0.00 -1.36 0.00 0.00 55.97 54.08 1nia s LYS 269 Cb 0.00 -3.36 2.24 0.00 -1.68 0.00 0.00 37.83 35.03 1nia s LYS 269 CO 0.00 -0.50 2.30 0.74 -0.76 0.00 0.00 175.35 177.13 1nia h PHE 270 N 8.21 0.00 0.00 3.18 0.04 -1.91 -2.32 116.94 124.14 1nia h PHE 270 Ca -0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1nia h PHE 270 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1nia h PHE 270 CO 0.60 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.85 1nia n ARG 271 N -3.05 0.16 -3.55 1.51 1.74 -1.26 -4.67 116.66 107.53 1nia n ARG 271 Ca -0.02 0.30 -0.38 0.00 -0.77 0.00 0.00 57.85 56.98 1nia n ARG 271 Cb 0.10 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 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 -3.96 6.75 0.51 0.55 0.01 -0.87 -5.05 114.94 112.87 1nia s ASN 272 Ca 0.07 0.90 -0.22 0.00 -0.71 0.00 0.00 52.86 52.90 1nia s ASN 272 Cb 0.11 -2.22 -0.06 0.00 0.41 0.00 0.00 41.25 39.49 1nia s ASN 272 CO 0.43 0.33 1.22 -2.16 -1.51 0.00 0.00 177.10 175.41 1nia s PRO 273 N -1.12 3.43 0.66 -0.60 0.04 -1.26 -4.97 135.00 131.17 1nia s PRO 273 Ca 0.23 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 1nia s PRO 273 Cb -0.16 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1nia s PRO 273 CO 0.12 -0.85 1.06 -1.25 0.04 0.00 0.00 177.00 176.12 1nia s PRO 274 N -2.92 3.10 0.05 0.56 0.04 -1.26 -4.96 135.00 129.61 1nia s PRO 274 Ca 0.69 1.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 1nia s PRO 274 Cb -0.31 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1nia s PRO 274 CO 0.37 -0.98 0.62 -0.51 0.04 0.00 0.00 177.00 176.54 1nia s ASP 275 N -3.44 7.08 0.16 6.66 1.01 0.82 -4.76 116.67 124.20 1nia s ASP 275 Ca 0.60 1.28 0.02 0.00 0.71 0.00 0.00 52.55 55.16 1nia s ASP 275 Cb -0.15 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1nia s ASP 275 CO 0.48 0.18 0.30 -0.76 0.21 0.00 0.00 175.17 175.58 1nia s LEU 276 N -0.67 4.33 -1.63 1.23 1.43 -1.26 -0.29 118.68 121.81 1nia s LEU 276 Ca 0.31 0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.43 1nia s LEU 276 Cb -0.19 -2.93 0.13 0.00 0.03 0.00 0.00 46.19 43.22 1nia s LEU 276 CO 0.19 0.03 0.88 0.47 0.23 0.00 0.00 176.35 178.16 1nia n ASP 277 N -0.63 -4.01 -4.74 2.29 8.00 -0.95 -4.94 116.55 111.58 1nia n ASP 277 Ca -0.07 -0.91 -0.41 0.00 0.71 0.00 0.00 54.79 54.11 1nia n ASP 277 Cb 0.54 -3.26 -0.03 0.00 -0.02 0.00 0.00 41.12 38.35 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 -6.80 4.50 -0.09 -1.24 -1.52 0.07 -4.78 119.66 109.80 1nia s GLN 278 Ca 0.71 1.85 -0.07 0.00 -1.95 0.00 0.00 55.36 55.91 1nia s GLN 278 Cb -0.38 -3.25 -0.28 0.00 -0.22 0.00 0.00 33.01 28.89 1nia s GLN 278 CO 0.89 -0.08 0.50 1.05 -0.25 0.00 0.00 175.29 177.39 1nia h GLU 279 N 5.33 0.30 -3.07 2.91 4.11 -1.92 0.22 114.58 122.46 1nia h GLU 279 Ca -0.44 -0.51 -0.13 0.00 0.07 0.00 0.00 59.36 58.35 1nia h GLU 279 Cb 1.21 0.19 -0.22 0.00 0.50 0.00 0.00 28.75 30.44 1nia h GLU 279 CO 0.75 1.22 -0.32 0.99 0.07 0.00 0.00 179.01 181.71 1nia s THR 280 N -2.57 0.04 0.06 -1.06 2.01 -1.26 -4.36 115.64 108.50 1nia s THR 280 Ca -0.19 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1nia s THR 280 Cb 0.06 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1nia s THR 280 CO 0.80 -0.19 -0.07 -1.66 -0.69 0.00 0.00 174.62 172.82 1nia s TRP 281 N -0.83 0.70 -0.22 4.92 -2.14 -1.17 -5.03 118.94 115.17 1nia s TRP 281 Ca -0.09 -0.68 -0.08 0.00 2.66 0.00 0.00 56.10 57.91 1nia s TRP 281 Cb -0.04 -0.42 -0.04 0.00 -3.10 0.00 0.00 33.47 29.87 1nia s TRP 281 CO 0.03 -0.14 0.09 -1.17 -2.66 0.00 0.00 176.95 173.10 1nia s LEU 282 N -2.14 3.78 -0.27 -4.66 1.98 -1.26 -2.81 118.68 113.30 1nia s LEU 282 Ca -0.02 0.01 -0.05 0.00 -2.89 0.00 0.00 54.13 51.18 1nia s LEU 282 Cb -0.04 -1.99 0.01 0.00 0.66 0.00 0.00 46.19 44.84 1nia s LEU 282 CO -0.02 0.09 0.01 -0.63 -1.89 0.00 0.00 176.35 173.91 1nia s ILE 283 N 0.89 3.51 0.51 6.68 1.01 0.74 -4.69 121.20 129.84 1nia s ILE 283 Ca 0.05 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.69 1nia s ILE 283 Cb -0.14 -2.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 1nia s ILE 283 CO 0.03 0.16 1.22 -2.84 0.00 0.00 0.00 174.94 173.51 1nia s PRO 284 N 1.43 3.46 0.28 2.79 0.02 -1.26 -1.26 135.00 140.47 1nia s PRO 284 Ca 0.02 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 62.63 1nia s PRO 284 Cb -0.17 -2.27 -0.12 0.00 0.02 0.00 0.00 34.50 31.96 1nia s PRO 284 CO -0.01 -0.83 1.52 0.41 -0.33 0.00 0.00 177.00 177.77 1nia n GLY 285 N 0.51 1.14 1.49 0.52 0.00 -1.19 -1.93 105.19 105.72 1nia n GLY 285 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1nia n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nia n GLY 286 N 2.02 0.72 3.12 -0.02 0.00 0.24 -4.76 105.19 106.51 1nia n GLY 286 Ca 0.09 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 0.16 -0.05 2.61 2.01 -0.81 -4.81 115.64 112.74 1nia s THR 287 Ca 0.00 -1.30 0.04 0.00 0.31 0.00 0.00 61.69 60.75 1nia s THR 287 Cb 0.00 -1.13 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 1nia s THR 287 CO 0.00 -0.72 -0.18 0.00 -0.69 0.00 0.00 174.62 173.03 1nia s ALA 288 N -3.18 1.64 0.35 7.40 0.00 -1.26 -2.29 121.76 124.42 1nia s ALA 288 Ca -0.00 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1nia s ALA 288 Cb 0.02 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 1nia s ALA 288 CO -0.07 0.29 0.05 0.20 0.00 0.00 0.00 175.76 176.23 1nia s GLY 289 N 0.06 2.19 0.00 0.00 0.00 0.24 -2.93 107.32 106.88 1nia s GLY 289 Ca -0.05 -2.05 0.01 0.00 0.00 0.00 0.00 44.72 42.63 1nia s GLY 289 CO 0.03 -1.88 -0.04 0.00 0.00 0.00 0.00 173.10 171.22 1nia s ALA 290 N -3.18 0.28 -0.02 3.20 0.00 -0.80 -1.21 121.76 120.04 1nia s ALA 290 Ca 0.35 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1nia s ALA 290 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1nia s ALA 290 CO 0.16 0.04 -0.15 0.00 0.00 0.00 0.00 175.76 175.81 1nia s ALA 291 N -0.30 1.32 -0.16 0.00 0.00 -0.70 -0.94 121.76 120.97 1nia s ALA 291 Ca -0.01 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 1nia s ALA 291 Cb -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1nia s ALA 291 CO -0.00 0.28 -0.14 0.12 0.00 0.00 0.00 175.76 176.03 1nia s PHE 292 N -0.16 2.81 0.01 0.00 2.19 0.13 -0.62 117.98 122.34 1nia s PHE 292 Ca 0.02 -0.94 -0.04 0.00 0.33 0.00 0.00 56.93 56.30 1nia s PHE 292 Cb -0.08 -1.90 -0.01 0.00 -1.31 0.00 0.00 43.02 39.72 1nia s PHE 292 CO 0.00 -0.42 0.05 -0.47 1.83 0.00 0.00 175.22 176.21 1nia s TYR 293 N 0.79 0.17 -0.17 10.12 5.04 -0.36 -1.06 117.35 131.87 1nia s TYR 293 Ca -0.05 -0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.22 1nia s TYR 293 Cb -0.15 -0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.04 1nia s TYR 293 CO 0.01 -0.25 -0.18 0.99 -1.34 0.00 0.00 175.55 174.78 1nia s THR 294 N -1.57 2.30 0.16 4.34 2.01 -1.26 0.08 115.64 121.69 1nia s THR 294 Ca -0.14 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 1nia s THR 294 Cb -0.08 -1.97 -0.08 0.00 0.01 0.00 0.00 72.50 70.39 1nia s THR 294 CO -0.00 0.53 1.24 -0.36 -0.69 0.00 0.00 174.62 175.33 1nia s PHE 295 N 1.14 3.37 -0.09 4.92 0.08 -0.90 -4.90 117.98 121.60 1nia s PHE 295 Ca 0.01 1.31 0.02 0.00 0.12 0.00 0.00 56.93 58.39 1nia s PHE 295 Cb -0.14 -3.49 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 1nia s PHE 295 CO -0.08 -1.49 0.09 0.54 -0.10 0.00 0.00 175.22 174.18 1nia n ARG 296 N 2.92 5.10 -4.18 0.44 1.74 -1.26 -0.38 116.66 121.04 1nia n ARG 296 Ca 0.06 -0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.98 1nia n ARG 296 Cb 0.44 -0.69 -0.13 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.39 0.63 0.87 5.56 -1.52 -1.26 -4.65 119.66 117.89 1nia s GLN 297 Ca 0.01 -0.59 -0.09 0.00 -1.95 0.00 0.00 55.36 52.73 1nia s GLN 297 Cb 0.02 -0.53 0.18 0.00 -0.22 0.00 0.00 33.01 32.45 1nia s GLN 297 CO 0.09 0.13 1.19 -1.25 -0.25 0.00 0.00 175.29 175.20 1nia s PRO 298 N -1.02 1.01 0.00 2.91 0.04 -1.26 -4.77 135.00 131.91 1nia s PRO 298 Ca -0.03 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.24 1nia s PRO 298 Cb -0.07 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1nia s PRO 298 CO 0.00 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.41 1nia n GLY 299 N -3.39 -1.50 3.75 0.56 0.00 0.33 -4.90 105.19 100.05 1nia n GLY 299 Ca 0.16 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.35 5.04 0.06 1.61 1.01 -1.26 -0.95 120.40 125.55 1nia s VAL 300 Ca 0.00 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.16 1nia s VAL 300 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1nia s VAL 300 CO 0.00 0.39 -0.22 -0.31 0.00 0.00 0.00 175.10 174.96 1nia s TYR 301 N 0.08 1.88 -0.16 5.22 1.51 -0.09 -4.97 117.35 120.81 1nia s TYR 301 Ca 0.29 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1nia s TYR 301 Cb -0.17 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1nia s TYR 301 CO 0.14 0.13 0.06 0.00 -1.11 0.00 0.00 175.55 174.78 1nia s ALA 302 N -0.89 3.45 -0.34 3.71 0.00 -1.23 -0.90 121.76 125.56 1nia s ALA 302 Ca 0.08 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 1nia s ALA 302 Cb -0.09 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.19 1nia s ALA 302 CO 0.03 0.28 0.12 -0.47 0.00 0.00 0.00 175.76 175.71 1nia s TYR 303 N 0.06 3.26 0.29 0.00 5.04 -0.40 0.08 117.35 125.68 1nia s TYR 303 Ca 0.06 -1.39 0.02 0.00 -2.44 0.00 0.00 57.07 53.32 1nia s TYR 303 Cb -0.12 -2.30 -0.06 0.00 0.35 0.00 0.00 41.96 39.83 1nia s TYR 303 CO 0.01 -0.72 0.08 0.14 -1.34 0.00 0.00 175.55 173.72 1nia s VAL 304 N 1.42 0.81 -0.24 3.14 -7.23 -0.11 -0.05 120.40 118.13 1nia s VAL 304 Ca -0.01 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.95 1nia s VAL 304 Cb -0.20 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 1nia s VAL 304 CO 0.03 0.00 0.64 0.21 -0.31 0.00 0.00 175.10 175.67 1nia s ASN 305 N -3.39 6.62 0.00 4.85 3.84 -0.88 -0.56 114.94 125.42 1nia s ASN 305 Ca 0.37 0.75 0.00 0.00 0.21 0.00 0.00 52.86 54.19 1nia s ASN 305 Cb 0.08 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.43 1nia s ASN 305 CO 0.15 -0.36 0.36 1.57 -2.79 0.00 0.00 177.10 176.03 1nia n HIS 306 N 5.59 0.00 -3.25 0.43 -0.00 0.62 -4.11 115.22 114.50 1nia n HIS 306 Ca -0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.26 1nia n HIS 306 Cb 0.49 -0.05 -0.05 0.00 -0.00 0.00 0.00 29.99 30.37 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 -0.50 6.19 0.60 0.26 2.47 -1.26 -4.92 114.94 117.77 1nia s ASN 307 Ca 0.00 -1.63 0.29 0.00 0.42 0.00 0.00 52.86 51.94 1nia s ASN 307 Cb 0.00 -2.24 1.58 0.00 -1.45 0.00 0.00 41.25 39.14 1nia s ASN 307 CO 0.00 -0.93 1.99 -0.07 -3.72 0.00 0.00 177.10 174.37 1nia h LEU 308 N 9.24 0.00 -0.05 3.21 3.38 -1.99 -0.14 115.31 128.96 1nia h LEU 308 Ca -0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1nia h LEU 308 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1nia h LEU 308 CO 1.05 0.00 -0.08 0.40 0.09 0.00 0.00 178.44 179.90 1nia h ILE 309 N 0.00 1.41 -0.13 1.22 2.04 -1.91 -0.34 117.51 119.79 1nia h ILE 309 Ca 0.13 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 1nia h ILE 309 Cb 0.82 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1nia h ILE 309 CO -0.00 0.36 -0.13 -0.33 0.00 0.00 0.00 178.15 178.05 1nia h GLU 310 N -0.34 0.20 0.18 2.37 5.08 -1.43 -0.29 114.58 120.35 1nia h GLU 310 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1nia h GLU 310 Cb 0.63 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nia h GLU 310 CO 0.02 0.34 -0.09 0.00 -1.00 0.00 0.00 179.01 178.28 1nia h ALA 311 N 1.68 -0.26 0.00 3.43 0.00 -0.99 -2.22 119.26 120.90 1nia h ALA 311 Ca 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1nia h ALA 311 Cb 0.36 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1nia h ALA 311 CO 0.02 -0.24 -0.75 0.74 0.00 0.00 0.00 179.25 179.02 1nia h PHE 312 N -1.00 0.00 0.00 0.00 0.04 -1.12 -2.18 116.94 112.68 1nia h PHE 312 Ca -0.02 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.37 1nia h PHE 312 Cb 0.19 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 1nia h PHE 312 CO 0.00 0.22 -2.41 0.39 -0.60 0.00 0.00 178.31 175.91 1nia n GLU 313 N -2.93 0.63 0.03 1.51 -0.58 -0.20 -4.59 120.64 114.51 1nia n GLU 313 Ca -0.01 0.14 0.12 0.00 -0.42 0.00 0.00 57.16 56.99 1nia n GLU 313 Cb 0.64 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 30.14 1nia n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nia n LEU 314 N -3.21 0.63 0.00 -4.62 4.32 -0.73 -5.01 117.00 108.38 1nia n LEU 314 Ca -0.44 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 1nia n LEU 314 Cb 0.97 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 1nia n LEU 314 CO 0.25 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.06 1nia n GLY 315 N 1.39 0.77 2.53 -0.72 0.00 -1.07 -1.61 105.19 106.49 1nia n GLY 315 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.21 6.58 -3.34 4.61 0.00 0.35 -4.21 120.51 123.29 1nia n ALA 316 Ca 0.00 -3.86 -0.13 0.00 0.00 0.00 0.00 53.44 49.45 1nia n ALA 316 Cb 0.00 -3.22 -0.14 0.00 0.00 0.00 0.00 19.45 16.09 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 1.42 -0.20 0.38 0.00 0.00 -1.25 -2.06 121.76 120.05 1nia s ALA 317 Ca 0.56 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.99 1nia s ALA 317 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1nia s ALA 317 CO -0.06 -0.09 0.20 0.20 0.00 0.00 0.00 175.76 176.00 1nia s GLY 318 N 0.57 2.55 0.18 0.00 0.00 0.92 -4.49 107.32 107.06 1nia s GLY 318 Ca -0.04 -1.54 0.06 0.00 0.00 0.00 0.00 44.72 43.20 1nia s GLY 318 CO -0.02 -1.68 -0.11 0.30 0.00 0.00 0.00 173.10 171.58 1nia s HIS 319 N -3.29 1.50 -0.06 1.90 3.76 0.68 -1.27 115.29 118.51 1nia s HIS 319 Ca 0.30 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 1nia s HIS 319 Cb 0.02 -0.74 0.02 0.00 1.11 0.00 0.00 32.58 32.99 1nia s HIS 319 CO 0.20 0.21 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.19 1nia s PHE 320 N -3.16 0.89 -0.29 1.40 0.08 -0.08 -0.63 117.98 116.19 1nia s PHE 320 Ca 0.20 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 1nia s PHE 320 Cb 0.01 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.70 1nia s PHE 320 CO 0.04 -0.26 0.04 0.15 -0.10 0.00 0.00 175.22 175.09 1nia s LYS 321 N 1.15 2.86 -0.10 0.44 1.02 0.91 -0.91 119.74 125.12 1nia s LYS 321 Ca -0.07 -0.99 -0.01 0.00 0.02 0.00 0.00 55.97 54.92 1nia s LYS 321 Cb -0.14 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1nia s LYS 321 CO -0.01 -0.49 -0.05 0.08 -0.92 0.00 0.00 175.35 173.96 1nia s VAL 322 N 1.41 3.86 0.13 3.17 1.01 -0.13 -2.28 120.40 127.56 1nia s VAL 322 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1nia s VAL 322 Cb -0.18 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1nia s VAL 322 CO 0.00 0.57 0.11 0.42 0.00 0.00 0.00 175.10 176.20 1nia s THR 323 N -0.43 4.50 -5.00 3.92 -4.23 -0.71 -0.51 115.64 113.18 1nia s THR 323 Ca 0.07 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1nia s THR 323 Cb -0.12 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1nia s THR 323 CO 0.02 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1nia n GLY 324 N -0.00 0.09 3.85 3.99 0.00 -1.26 -0.55 105.19 111.31 1nia n GLY 324 Ca -0.08 -1.73 -0.38 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 -1.71 3.78 0.24 1.61 2.12 -1.26 -4.71 118.70 118.77 1nia s GLU 325 Ca 0.00 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.28 1nia s GLU 325 Cb 0.00 -3.21 -0.09 0.00 0.26 0.00 0.00 34.13 31.09 1nia s GLU 325 CO 0.00 0.71 1.17 -0.46 -0.54 0.00 0.00 175.26 176.14 1nia s TRP 326 N -1.04 3.44 -0.42 5.30 -0.11 -1.26 -4.45 118.94 120.40 1nia s TRP 326 Ca 0.21 1.54 -0.11 0.00 1.22 0.00 0.00 56.10 58.96 1nia s TRP 326 Cb -0.15 -3.40 0.07 0.00 -1.50 0.00 0.00 33.47 28.49 1nia s TRP 326 CO 0.10 -1.01 0.28 1.21 -4.62 0.00 0.00 176.95 172.91 1nia s ASN 327 N -0.36 5.74 0.30 5.86 3.84 -1.26 -4.96 114.94 124.10 1nia s ASN 327 Ca 0.49 -1.42 0.25 0.00 0.21 0.00 0.00 52.86 52.39 1nia s ASN 327 Cb -0.33 -2.03 1.02 0.00 -0.55 0.00 0.00 41.25 39.37 1nia s ASN 327 CO 0.40 -0.54 1.75 0.44 -2.79 0.00 0.00 177.10 176.36 1nia h ASP 328 N 8.48 0.00 -0.10 -4.21 3.32 -1.96 -3.01 116.42 118.94 1nia h ASP 328 Ca -0.24 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.69 1nia h ASP 328 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1nia h ASP 328 CO 0.77 0.00 -0.39 -0.78 -1.72 0.00 0.00 179.24 177.12 1nia h ASP 329 N 0.00 0.52 -0.82 6.45 3.58 -2.02 -3.23 116.42 120.90 1nia h ASP 329 Ca 0.00 -0.63 -0.04 0.00 0.42 0.00 0.00 57.03 56.78 1nia h ASP 329 Cb 0.40 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 1nia h ASP 329 CO 0.00 1.06 0.36 -0.07 -2.88 0.00 0.00 179.24 177.70 1nia h LEU 330 N 0.01 1.11 -7.00 2.28 4.07 -1.97 -3.45 115.31 110.36 1nia h LEU 330 Ca -0.02 -0.16 0.07 0.00 0.08 0.00 0.00 57.88 57.85 1nia h LEU 330 Cb 1.03 -0.29 -0.25 0.00 1.08 0.00 0.00 40.66 42.23 1nia h LEU 330 CO 0.08 0.97 0.51 -0.32 -1.08 0.00 0.00 178.44 178.60 1nia s MET 331 N -5.61 0.54 0.08 1.13 0.00 -1.17 -5.15 119.30 109.13 1nia s MET 331 Ca -0.12 0.35 -0.26 0.00 0.00 0.00 0.00 55.69 55.66 1nia s MET 331 Cb 0.16 0.26 0.07 0.00 0.00 0.00 0.00 34.83 35.33 1nia s MET 331 CO 0.84 -0.13 0.66 -0.08 0.00 0.00 0.00 175.02 176.31 1nia s THR 332 N -0.48 0.00 -0.42 10.11 -1.32 -1.26 -4.11 115.64 118.17 1nia s THR 332 Ca 0.01 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.27 1nia s THR 332 Cb -0.03 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 1nia s THR 332 CO -0.02 0.00 0.71 -0.55 -2.21 0.00 0.00 174.62 172.54 1nia s SER 333 N -2.28 6.40 0.02 8.08 0.15 -1.26 -4.91 113.70 119.89 1nia s SER 333 Ca -0.02 -0.09 -0.19 0.00 0.70 0.00 0.00 55.95 56.36 1nia s SER 333 Cb -0.01 -2.35 -0.25 0.00 -1.71 0.00 0.00 66.02 61.70 1nia s SER 333 CO -0.06 -0.78 1.09 0.58 1.20 0.00 0.00 173.24 175.26 1nia h VAL 334 N 5.86 1.40 -3.26 4.45 2.07 -2.02 -3.43 116.25 121.32 1nia h VAL 334 Ca -0.25 -2.20 -0.49 0.00 0.82 0.00 0.00 66.70 64.57 1nia h VAL 334 Cb 1.10 2.65 -0.39 0.00 -1.52 0.00 0.00 31.29 33.12 1nia h VAL 334 CO 0.91 0.65 -0.77 -0.69 0.02 0.00 0.00 177.57 177.69 1nia s VAL 335 N -3.11 0.49 0.58 2.57 1.01 -1.26 -5.13 120.40 115.55 1nia s VAL 335 Ca -0.12 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1nia s VAL 335 Cb 0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1nia s VAL 335 CO 0.85 -0.06 1.14 -0.54 0.00 0.00 0.00 175.10 176.49 1nia s LYS 336 N 1.89 3.15 0.09 2.72 1.02 -1.26 -4.91 119.74 122.43 1nia s LYS 336 Ca 0.01 1.61 -0.37 0.00 0.02 0.00 0.00 55.97 57.24 1nia s LYS 336 Cb -0.16 -1.98 -0.17 0.00 -0.52 0.00 0.00 37.83 35.01 1nia s LYS 336 CO -0.07 -1.01 1.34 -2.30 -0.92 0.00 0.00 175.35 172.38 1nia n PRO 337 N -1.60 1.15 -3.48 -1.68 -0.02 -1.26 -4.98 135.00 123.14 1nia n PRO 337 Ca 0.12 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.89 1nia n PRO 337 Cb 0.51 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 0.47 -1.73 0.16 3.55 0.00 -1.26 -5.14 121.76 117.81 1nia s ALA 338 Ca 0.84 0.94 -0.32 0.00 0.00 0.00 0.00 51.96 53.42 1nia s ALA 338 Cb -0.95 0.38 -0.12 0.00 0.00 0.00 0.00 23.12 22.44 1nia s ALA 338 CO 0.47 -0.60 1.77 0.43 0.00 0.00 0.00 175.76 177.83 1nia n SER 339 N 0.11 3.93 0.00 0.00 7.64 -1.26 -5.26 113.62 118.78 1nia n SER 339 Ca -0.15 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1nia n SER 339 Cb 0.61 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1nia n SER 339 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26