#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjm s THR 5 N 0.00 2.85 0.23 0.00 -4.23 -1.26 -4.87 115.64 108.36 1sjm s THR 5 Ca 0.00 0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.73 1sjm s THR 5 Cb 0.00 -3.26 0.19 0.00 1.34 0.00 0.00 72.50 70.78 1sjm s THR 5 CO 0.00 -0.36 1.80 0.00 -0.54 0.00 0.00 174.62 175.52 1sjm h ALA 6 N -0.85 1.08 -0.78 3.99 0.00 -2.05 -1.33 119.26 119.31 1sjm h ALA 6 Ca -0.46 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1sjm h ALA 6 Cb 1.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1sjm h ALA 6 CO 0.64 0.06 0.39 0.00 0.00 0.00 0.00 179.25 180.34 1sjm h ALA 7 N 1.43 1.01 -0.39 0.00 0.00 -1.99 -0.84 119.26 118.48 1sjm h ALA 7 Ca 0.37 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1sjm h ALA 7 Cb 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sjm h ALA 7 CO -0.24 0.55 -0.06 0.93 0.00 0.00 0.00 179.25 180.43 1sjm h GLU 8 N 1.10 0.74 -0.71 0.00 5.08 -1.77 -2.33 114.58 116.68 1sjm h GLU 8 Ca 0.27 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1sjm h GLU 8 Cb 0.09 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1sjm h GLU 8 CO -0.04 0.86 0.18 0.82 -1.00 0.00 0.00 179.01 179.83 1sjm h ILE 9 N 0.55 1.26 0.00 3.13 2.04 -1.03 -2.55 117.51 120.91 1sjm h ILE 9 Ca 0.10 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1sjm h ILE 9 Cb 0.57 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1sjm h ILE 9 CO 0.03 0.37 -0.11 0.00 0.00 0.00 0.00 178.15 178.45 1sjm h ALA 10 N 1.09 1.54 0.00 1.87 0.00 -0.96 -2.21 119.26 120.59 1sjm h ALA 10 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sjm h ALA 10 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sjm h ALA 10 CO 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 179.25 179.28 1sjm n ALA 11 N -2.39 2.54 -1.76 0.00 0.00 -0.89 -4.91 120.51 113.10 1sjm n ALA 11 Ca -0.02 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 1sjm n ALA 11 Cb 0.19 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1sjm n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sjm s LEU 12 N -3.20 3.73 0.54 0.00 1.43 -0.83 -4.99 118.68 115.35 1sjm s LEU 12 Ca 0.13 2.16 -0.21 0.00 -1.03 0.00 0.00 54.13 55.18 1sjm s LEU 12 Cb 0.18 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 1sjm s LEU 12 CO 0.57 -1.23 1.28 -2.84 0.23 0.00 0.00 176.35 174.35 1sjm s PRO 13 N -3.33 3.23 -0.08 1.29 0.02 -1.26 -4.77 135.00 130.09 1sjm s PRO 13 Ca 0.72 2.03 -0.02 0.00 0.02 0.00 0.00 61.00 63.75 1sjm s PRO 13 Cb -0.24 -2.21 -0.03 0.00 0.02 0.00 0.00 34.50 32.04 1sjm s PRO 13 CO 0.28 -1.05 0.01 1.03 -0.33 0.00 0.00 177.00 176.93 1sjm s ARG 14 N -2.96 3.00 -0.11 5.54 3.00 -1.26 -1.00 118.95 125.16 1sjm s ARG 14 Ca 0.71 -0.40 -0.01 0.00 0.00 0.00 0.00 55.73 56.03 1sjm s ARG 14 Cb -0.35 -2.81 0.03 0.00 0.00 0.00 0.00 34.95 31.82 1sjm s ARG 14 CO 0.41 0.70 -0.02 -1.14 0.00 0.00 0.00 175.30 175.25 1sjm s GLN 15 N -0.95 0.98 -0.06 3.54 0.74 -0.49 -4.96 119.66 118.47 1sjm s GLN 15 Ca 0.14 -0.12 -0.24 0.00 0.05 0.00 0.00 55.36 55.20 1sjm s GLN 15 Cb -0.11 -1.38 -0.04 0.00 1.10 0.00 0.00 33.01 32.58 1sjm s GLN 15 CO 0.03 -0.34 0.71 0.21 -0.55 0.00 0.00 175.29 175.35 1sjm s LYS 16 N 1.85 4.44 -0.08 1.67 2.47 -1.26 -0.26 119.74 128.56 1sjm s LYS 16 Ca 0.04 0.90 0.02 0.00 -1.56 0.00 0.00 55.97 55.37 1sjm s LYS 16 Cb -0.13 -3.44 -0.02 0.00 -1.46 0.00 0.00 37.83 32.78 1sjm s LYS 16 CO -0.07 0.08 -0.13 0.08 0.16 0.00 0.00 175.35 175.48 1sjm s VAL 17 N 0.72 3.15 -0.30 4.02 1.01 -0.47 -4.93 120.40 123.60 1sjm s VAL 17 Ca 0.38 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1sjm s VAL 17 Cb -0.18 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1sjm s VAL 17 CO 0.19 0.57 0.53 -1.61 0.00 0.00 0.00 175.10 174.77 1sjm s GLU 18 N -0.33 3.88 0.59 2.72 8.01 -1.26 -4.67 118.70 127.64 1sjm s GLU 18 Ca 0.03 0.13 -0.17 0.00 0.01 0.00 0.00 54.97 54.98 1sjm s GLU 18 Cb -0.13 -3.72 -0.04 0.00 -4.31 0.00 0.00 34.13 25.94 1sjm s GLU 18 CO 0.02 -0.49 1.08 -0.51 0.01 0.00 0.00 175.26 175.37 1sjm s LEU 19 N 2.38 3.55 0.22 1.80 1.43 -1.26 -4.79 118.68 122.02 1sjm s LEU 19 Ca 0.21 1.92 0.09 0.00 -1.03 0.00 0.00 54.13 55.32 1sjm s LEU 19 Cb -0.15 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 1sjm s LEU 19 CO 0.11 -1.23 -0.17 0.68 0.23 0.00 0.00 176.35 175.97 1sjm s VAL 20 N -2.28 2.03 0.21 -1.59 -7.23 -1.26 -4.99 120.40 105.28 1sjm s VAL 20 Ca 0.66 -2.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1sjm s VAL 20 Cb -0.18 -2.10 -0.08 0.00 0.56 0.00 0.00 36.38 34.58 1sjm s VAL 20 CO 0.34 -0.46 1.05 -1.81 -0.31 0.00 0.00 175.10 173.91 1sjm s ASP 21 N -3.24 7.37 0.61 4.85 -0.00 -1.26 -4.61 116.67 120.39 1sjm s ASP 21 Ca 0.24 2.07 -0.18 0.00 -0.00 0.00 0.00 52.55 54.67 1sjm s ASP 21 Cb -0.03 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.24 1sjm s ASP 21 CO 0.10 -0.10 1.02 -2.65 -0.00 0.00 0.00 175.17 173.53 1sjm n PRO 22 N 1.96 0.92 -0.10 8.23 -0.02 -1.26 -1.94 135.00 142.79 1sjm n PRO 22 Ca 0.01 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 1sjm n PRO 22 Cb 0.46 -2.23 0.27 0.00 -0.02 0.00 0.00 33.50 31.98 1sjm n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1sjm n PRO 23 N -1.19 1.57 -1.74 0.52 -0.04 -1.26 -5.04 135.00 127.83 1sjm n PRO 23 Ca 0.14 -0.88 -0.30 0.00 -0.04 0.00 0.00 63.50 62.43 1sjm n PRO 23 Cb 0.48 -1.29 0.07 0.00 -0.04 0.00 0.00 33.50 32.72 1sjm n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1sjm s PHE 24 N -1.75 3.11 -0.02 0.54 0.40 -0.82 -0.76 117.98 118.68 1sjm s PHE 24 Ca 0.24 1.10 0.03 0.00 -0.60 0.00 0.00 56.93 57.70 1sjm s PHE 24 Cb 0.13 -3.09 -0.00 0.00 0.51 0.00 0.00 43.02 40.57 1sjm s PHE 24 CO 0.18 -1.44 -0.11 0.08 0.70 0.00 0.00 175.22 174.64 1sjm s VAL 25 N -3.27 0.89 0.81 -0.44 1.01 -1.26 -4.63 120.40 113.51 1sjm s VAL 25 Ca 0.59 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1sjm s VAL 25 Cb -0.13 -0.77 0.08 0.00 0.00 0.00 0.00 36.38 35.57 1sjm s VAL 25 CO 0.53 0.27 1.20 -1.38 0.00 0.00 0.00 175.10 175.71 1sjm s HIS 26 N 0.04 1.81 0.35 5.22 -3.43 -1.26 -4.89 115.29 113.13 1sjm s HIS 26 Ca -0.01 1.68 -0.29 0.00 -0.80 0.00 0.00 55.06 55.64 1sjm s HIS 26 Cb -0.08 -3.47 -0.11 0.00 -1.43 0.00 0.00 32.58 27.49 1sjm s HIS 26 CO 0.00 -2.82 1.48 0.00 -2.00 0.00 0.00 174.74 171.40 1sjm n ALA 27 N -3.34 2.20 -3.76 -1.38 0.00 -1.26 -4.99 120.51 107.97 1sjm n ALA 27 Ca 0.13 0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.85 1sjm n ALA 27 Cb 0.51 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 1sjm n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1sjm s HIS 28 N -0.83 -0.09 -0.07 0.00 -3.43 -1.26 -5.06 115.29 104.55 1sjm s HIS 28 Ca 0.56 -0.37 0.01 0.00 -0.80 0.00 0.00 55.06 54.46 1sjm s HIS 28 Cb -0.50 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.27 1sjm s HIS 28 CO 0.60 -1.23 -0.09 -1.54 -2.00 0.00 0.00 174.74 170.47 1sjm s SER 29 N -2.95 4.44 0.01 7.38 1.04 -1.26 -5.03 113.70 117.33 1sjm s SER 29 Ca 0.13 -0.10 -0.25 0.00 0.48 0.00 0.00 55.95 56.21 1sjm s SER 29 Cb -0.05 -1.16 -0.19 0.00 0.10 0.00 0.00 66.02 64.72 1sjm s SER 29 CO 0.08 0.33 1.38 1.56 0.98 0.00 0.00 173.24 177.56 1sjm h GLN 30 N 5.49 0.03 -6.21 4.02 4.20 -1.97 -3.41 115.11 117.26 1sjm h GLN 30 Ca -0.45 -0.01 -0.55 0.00 0.06 0.00 0.00 58.65 57.70 1sjm h GLN 30 Cb 1.17 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 1sjm h GLN 30 CO 0.53 0.39 0.08 0.08 -0.67 0.00 0.00 178.83 179.25 1sjm s VAL 31 N -4.70 4.79 0.36 -0.54 1.01 -1.26 -3.47 120.40 116.59 1sjm s VAL 31 Ca -0.15 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.01 1sjm s VAL 31 Cb 0.03 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.26 1sjm s VAL 31 CO 0.68 0.40 1.45 0.00 0.00 0.00 0.00 175.10 177.62 1sjm n ALA 32 N 2.71 2.09 -2.78 5.51 0.00 0.15 -4.95 120.51 123.25 1sjm n ALA 32 Ca -0.05 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 1sjm n ALA 32 Cb 0.50 -2.38 -0.09 0.00 0.00 0.00 0.00 19.45 17.48 1sjm n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sjm s GLU 33 N -1.83 2.90 0.89 0.00 2.02 -1.26 -4.99 118.70 116.42 1sjm s GLU 33 Ca 0.55 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1sjm s GLU 33 Cb -0.51 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 29.76 1sjm s GLU 33 CO 0.61 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1sjm n GLY 34 N 5.11 -2.06 2.25 -1.39 0.00 -1.26 -4.97 105.19 102.87 1sjm n GLY 34 Ca -0.12 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 1sjm n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjm n GLY 35 N 0.00 -0.91 3.62 -0.02 0.00 -1.26 -5.00 105.19 101.62 1sjm n GLY 35 Ca 0.00 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1sjm n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sjm n PRO 36 N -2.52 1.51 -4.28 1.61 -0.02 -1.26 -5.02 135.00 125.02 1sjm n PRO 36 Ca 0.10 0.53 -0.17 0.00 -2.02 0.00 0.00 63.50 61.94 1sjm n PRO 36 Cb 0.34 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 1sjm n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1sjm s LYS 37 N -1.81 1.15 -0.43 -0.52 1.02 -1.26 -4.39 119.74 113.50 1sjm s LYS 37 Ca 0.60 -1.45 -0.19 0.00 0.02 0.00 0.00 55.97 54.94 1sjm s LYS 37 Cb -0.61 -0.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.85 1sjm s LYS 37 CO 0.59 0.14 0.54 0.08 -0.92 0.00 0.00 175.35 175.78 1sjm s VAL 38 N -2.92 4.95 -0.27 3.17 1.01 -0.17 -1.26 120.40 124.91 1sjm s VAL 38 Ca 0.17 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1sjm s VAL 38 Cb -0.00 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1sjm s VAL 38 CO 0.03 -0.52 0.29 -0.69 0.00 0.00 0.00 175.10 174.22 1sjm s VAL 39 N 2.49 5.24 -0.20 2.92 1.01 0.19 -1.39 120.40 130.66 1sjm s VAL 39 Ca 0.17 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1sjm s VAL 39 Cb -0.16 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1sjm s VAL 39 CO 0.16 0.21 0.07 -1.61 0.00 0.00 0.00 175.10 173.93 1sjm s GLU 40 N 1.82 3.90 0.09 2.72 2.02 0.64 -0.94 118.70 128.95 1sjm s GLU 40 Ca 0.12 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 54.81 1sjm s GLU 40 Cb -0.16 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 1sjm s GLU 40 CO 0.10 0.17 -0.19 -0.06 0.02 0.00 0.00 175.26 175.30 1sjm s PHE 41 N 0.67 1.60 -0.05 1.61 0.40 -0.53 -1.36 117.98 120.32 1sjm s PHE 41 Ca 0.03 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1sjm s PHE 41 Cb -0.13 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.51 1sjm s PHE 41 CO 0.02 0.15 -0.14 0.99 0.70 0.00 0.00 175.22 176.93 1sjm s THR 42 N -1.15 1.21 -0.02 0.64 2.01 -1.26 -0.67 115.64 116.41 1sjm s THR 42 Ca 0.04 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1sjm s THR 42 Cb -0.10 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1sjm s THR 42 CO 0.03 0.36 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.21 1sjm s MET 43 N 0.32 0.80 -0.18 4.92 -1.94 -0.32 -4.92 119.30 117.97 1sjm s MET 43 Ca -0.08 -0.23 -0.08 0.00 -1.71 0.00 0.00 55.69 53.58 1sjm s MET 43 Cb -0.13 -0.77 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 1sjm s MET 43 CO 0.03 0.08 0.09 0.08 -0.01 0.00 0.00 175.02 175.28 1sjm s VAL 44 N 0.26 5.07 -0.01 -6.03 1.01 -1.26 -1.43 120.40 118.01 1sjm s VAL 44 Ca -0.04 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.74 1sjm s VAL 44 Cb -0.08 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1sjm s VAL 44 CO 0.00 0.46 0.83 -0.63 0.00 0.00 0.00 175.10 175.77 1sjm s ILE 45 N 0.28 4.89 -0.18 2.22 1.01 -0.28 -0.71 121.20 128.42 1sjm s ILE 45 Ca 0.06 1.75 0.01 0.00 0.00 0.00 0.00 60.65 62.47 1sjm s ILE 45 Cb -0.12 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1sjm s ILE 45 CO -0.01 0.24 -0.13 -1.61 0.00 0.00 0.00 174.94 173.44 1sjm s GLU 46 N 0.68 2.26 -0.23 2.79 0.41 -0.27 -4.36 118.70 119.97 1sjm s GLU 46 Ca 0.44 -0.79 -0.29 0.00 -0.41 0.00 0.00 54.97 53.92 1sjm s GLU 46 Cb -0.20 -2.37 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 1sjm s GLU 46 CO 0.23 -0.35 1.18 -1.21 -0.49 0.00 0.00 175.26 174.63 1sjm s GLU 47 N 1.39 4.15 -0.10 1.61 2.02 -1.26 -1.17 118.70 125.34 1sjm s GLU 47 Ca 0.01 1.41 -0.16 0.00 0.02 0.00 0.00 54.97 56.25 1sjm s GLU 47 Cb -0.15 -3.75 0.04 0.00 0.10 0.00 0.00 34.13 30.37 1sjm s GLU 47 CO -0.09 -0.80 0.40 -1.59 0.02 0.00 0.00 175.26 173.19 1sjm s LYS 48 N 3.58 0.59 0.08 1.61 -2.85 -0.49 -4.98 119.74 117.27 1sjm s LYS 48 Ca 0.51 0.28 -0.31 0.00 -1.00 0.00 0.00 55.97 55.45 1sjm s LYS 48 Cb -0.17 0.28 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 1sjm s LYS 48 CO 0.14 -0.12 1.25 0.15 0.10 0.00 0.00 175.35 176.87 1sjm s LYS 49 N -0.43 4.40 0.17 1.78 1.02 -1.26 -0.56 119.74 124.87 1sjm s LYS 49 Ca -0.06 1.85 0.08 0.00 0.02 0.00 0.00 55.97 57.87 1sjm s LYS 49 Cb -0.03 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1sjm s LYS 49 CO 0.03 -0.31 -0.17 0.96 -0.92 0.00 0.00 175.35 174.94 1sjm s ILE 50 N 1.07 1.76 -0.17 2.17 -4.36 -0.27 -4.92 121.20 116.48 1sjm s ILE 50 Ca 0.60 -1.95 -0.06 0.00 -0.26 0.00 0.00 60.65 58.98 1sjm s ILE 50 Cb -0.32 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 1sjm s ILE 50 CO 0.29 -0.38 0.03 -0.69 0.24 0.00 0.00 174.94 174.44 1sjm s VAL 51 N -2.23 4.51 -1.15 8.37 1.01 -1.26 -1.23 120.40 128.42 1sjm s VAL 51 Ca 0.16 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.11 1sjm s VAL 51 Cb -0.05 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1sjm s VAL 51 CO 0.06 0.48 0.75 2.30 0.00 0.00 0.00 175.10 178.69 1sjm n ILE 52 N 3.44 0.00 -3.94 2.22 -5.35 -0.14 -4.80 119.36 110.80 1sjm n ILE 52 Ca -0.17 -0.46 -0.10 0.00 -0.27 0.00 0.00 62.75 61.76 1sjm n ILE 52 Cb 0.52 1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 39.58 1sjm n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1sjm s ASP 53 N -1.08 0.10 0.52 7.28 3.84 -1.26 -0.83 116.67 125.24 1sjm s ASP 53 Ca 0.11 -1.03 0.31 0.00 -0.00 0.00 0.00 52.55 51.93 1sjm s ASP 53 Cb 0.08 0.70 1.15 0.00 -1.38 0.00 0.00 42.92 43.48 1sjm s ASP 53 CO 0.18 -1.36 1.91 0.44 -0.00 0.00 0.00 175.17 176.34 1sjm h ASP 54 N 2.10 0.00 1.07 2.11 5.19 -1.96 -2.49 116.42 122.45 1sjm h ASP 54 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1sjm h ASP 54 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1sjm h ASP 54 CO 0.35 0.04 0.00 0.00 -3.12 0.00 0.00 179.24 176.51 1sjm h ALA 55 N 1.96 1.00 0.00 3.45 0.00 -2.02 -3.47 119.26 120.19 1sjm h ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sjm h ALA 55 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1sjm h ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1sjm n GLY 56 N 0.19 0.97 3.72 0.00 0.00 -0.94 -5.06 105.19 104.07 1sjm n GLY 56 Ca 0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1sjm n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sjm n THR 57 N -2.06 0.39 -4.04 2.61 -1.04 -1.26 -4.84 114.28 104.04 1sjm n THR 57 Ca 0.00 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.05 61.61 1sjm n THR 57 Cb 0.00 -1.87 -0.06 0.00 -1.82 0.00 0.00 70.33 66.58 1sjm n THR 57 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1sjm s GLU 58 N 0.49 2.92 0.00 -2.82 2.02 -1.26 -0.97 118.70 119.08 1sjm s GLU 58 Ca 0.72 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 55.06 1sjm s GLU 58 Cb -0.54 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1sjm s GLU 58 CO 0.39 0.56 -0.13 0.08 0.02 0.00 0.00 175.26 176.19 1sjm s VAL 59 N -1.43 1.00 -0.94 2.63 1.01 -0.37 -4.95 120.40 117.36 1sjm s VAL 59 Ca 0.30 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 1sjm s VAL 59 Cb -0.12 -0.86 0.08 0.00 0.00 0.00 0.00 36.38 35.48 1sjm s VAL 59 CO 0.22 0.20 1.29 -1.00 0.00 0.00 0.00 175.10 175.81 1sjm s HIS 60 N -0.44 2.74 0.52 5.22 3.76 -1.26 -1.11 115.29 124.71 1sjm s HIS 60 Ca 0.04 -0.96 -0.18 0.00 -0.15 0.00 0.00 55.06 53.80 1sjm s HIS 60 Cb -0.06 -4.51 -0.07 0.00 1.11 0.00 0.00 32.58 29.05 1sjm s HIS 60 CO -0.00 -1.76 1.03 0.00 -0.85 0.00 0.00 174.74 173.15 1sjm s ALA 61 N 4.13 2.88 -0.33 -1.40 0.00 0.28 -4.87 121.76 122.45 1sjm s ALA 61 Ca 0.39 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.83 1sjm s ALA 61 Cb -0.04 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 19.97 1sjm s ALA 61 CO -0.07 -0.42 0.03 -1.64 0.00 0.00 0.00 175.76 173.66 1sjm s MET 62 N -3.64 1.52 -0.23 0.00 -1.94 -0.54 -1.39 119.30 113.09 1sjm s MET 62 Ca 0.64 -1.74 0.02 0.00 -1.71 0.00 0.00 55.69 52.91 1sjm s MET 62 Cb -0.14 -3.07 0.05 0.00 2.01 0.00 0.00 34.83 33.67 1sjm s MET 62 CO 0.27 -0.89 -0.12 0.00 -0.01 0.00 0.00 175.02 174.26 1sjm s ALA 63 N 0.99 2.40 0.13 3.03 0.00 -0.32 -2.29 121.76 125.69 1sjm s ALA 63 Ca 0.08 -1.54 -0.31 0.00 0.00 0.00 0.00 51.96 50.18 1sjm s ALA 63 Cb -0.19 -1.45 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 1sjm s ALA 63 CO -0.09 -0.96 1.83 1.19 0.00 0.00 0.00 175.76 177.73 1sjm n PHE 64 N 4.52 2.64 -1.49 0.00 3.72 -1.25 -1.12 117.46 124.49 1sjm n PHE 64 Ca -0.15 -0.14 -0.17 0.00 -0.05 0.00 0.00 57.45 56.94 1sjm n PHE 64 Cb 0.44 -2.73 -0.07 0.00 -0.94 0.00 0.00 39.48 36.18 1sjm n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1sjm n ASN 65 N 5.54 -5.50 0.00 4.37 5.15 0.11 -2.47 115.26 122.47 1sjm n ASN 65 Ca 0.18 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.57 1sjm n ASN 65 Cb 0.37 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 1sjm n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sjm n GLY 66 N -0.28 0.58 3.34 8.20 0.00 -0.88 -4.96 105.19 111.18 1sjm n GLY 66 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1sjm n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sjm s THR 67 N -2.41 1.84 -0.22 2.61 -4.23 -1.03 -4.97 115.64 107.24 1sjm s THR 67 Ca 0.00 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1sjm s THR 67 Cb 0.00 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 72.00 1sjm s THR 67 CO 0.00 -0.35 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.91 1sjm s VAL 68 N -2.16 2.00 0.98 2.29 1.01 -1.26 -2.83 120.40 120.43 1sjm s VAL 68 Ca 0.17 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1sjm s VAL 68 Cb -0.05 -2.01 0.18 0.00 0.00 0.00 0.00 36.38 34.49 1sjm s VAL 68 CO 0.07 0.19 1.11 -2.16 0.00 0.00 0.00 175.10 174.31 1sjm s PRO 69 N 1.23 0.61 0.96 2.72 0.04 -1.26 -2.36 135.00 136.95 1sjm s PRO 69 Ca -0.03 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.29 1sjm s PRO 69 Cb -0.17 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.77 1sjm s PRO 69 CO -0.08 -2.58 1.12 0.20 0.04 0.00 0.00 177.00 175.69 1sjm s GLY 70 N -3.70 1.65 0.68 0.56 0.00 0.14 -4.75 107.32 101.91 1sjm s GLY 70 Ca 0.65 0.40 -0.14 0.00 0.00 0.00 0.00 44.72 45.63 1sjm s GLY 70 CO 0.56 0.88 1.09 2.56 0.00 0.00 0.00 173.10 178.19 1sjm s PRO 71 N -4.63 2.73 -0.14 2.90 0.04 -1.26 -4.44 135.00 130.20 1sjm s PRO 71 Ca 0.67 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 1sjm s PRO 71 Cb -0.23 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1sjm s PRO 71 CO 0.59 -1.29 0.99 -1.17 0.04 0.00 0.00 177.00 176.17 1sjm s LEU 72 N -5.14 4.21 -0.13 -3.56 2.96 -1.26 -4.30 118.68 111.45 1sjm s LEU 72 Ca 0.64 1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 55.90 1sjm s LEU 72 Cb -0.19 -3.51 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1sjm s LEU 72 CO 0.46 -0.49 0.22 -0.04 -1.32 0.00 0.00 176.35 175.18 1sjm s MET 73 N 2.28 3.90 -0.12 1.98 -1.94 -1.15 -4.55 119.30 119.70 1sjm s MET 73 Ca 0.46 0.00 0.02 0.00 -1.71 0.00 0.00 55.69 54.47 1sjm s MET 73 Cb -0.17 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.37 1sjm s MET 73 CO 0.15 0.51 -0.19 0.08 -0.01 0.00 0.00 175.02 175.56 1sjm s VAL 74 N -0.33 1.77 0.34 -6.03 1.01 -1.26 -0.47 120.40 115.44 1sjm s VAL 74 Ca 0.15 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1sjm s VAL 74 Cb -0.13 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1sjm s VAL 74 CO 0.04 0.49 0.20 0.68 0.00 0.00 0.00 175.10 176.52 1sjm s VAL 75 N 0.84 0.23 0.22 2.92 -7.23 -0.45 -5.00 120.40 111.94 1sjm s VAL 75 Ca -0.08 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.17 1sjm s VAL 75 Cb -0.15 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1sjm s VAL 75 CO -0.00 0.00 0.02 -1.00 -0.31 0.00 0.00 175.10 173.81 1sjm s HIS 76 N -3.45 2.82 0.18 2.82 3.76 -1.26 -0.94 115.29 119.22 1sjm s HIS 76 Ca 0.35 -0.17 -0.33 0.00 -0.15 0.00 0.00 55.06 54.76 1sjm s HIS 76 Cb 0.03 -1.30 -0.14 0.00 1.11 0.00 0.00 32.58 32.28 1sjm s HIS 76 CO 0.21 0.56 1.47 0.94 -0.85 0.00 0.00 174.74 177.07 1sjm n GLN 77 N -0.59 1.95 -0.93 1.40 7.27 0.02 -1.38 117.38 125.12 1sjm n GLN 77 Ca -0.08 0.70 0.00 0.00 0.07 0.00 0.00 57.00 57.69 1sjm n GLN 77 Cb 0.57 -2.40 0.00 0.00 2.41 0.00 0.00 30.24 30.82 1sjm n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1sjm n ASP 78 N 2.77 -1.74 -4.68 1.69 10.43 0.40 -4.72 116.55 120.69 1sjm n ASP 78 Ca 0.15 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.22 1sjm n ASP 78 Cb 0.29 -0.96 0.16 0.00 1.84 0.00 0.00 41.12 42.45 1sjm n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1sjm s ASP 79 N -2.40 2.90 -0.11 -2.24 -0.00 -0.48 -4.68 116.67 109.67 1sjm s ASP 79 Ca 0.00 1.42 -0.02 0.00 -0.00 0.00 0.00 52.55 53.94 1sjm s ASP 79 Cb 0.00 -2.09 -0.03 0.00 -0.00 0.00 0.00 42.92 40.80 1sjm s ASP 79 CO 0.00 -2.99 -0.02 -0.31 -0.00 0.00 0.00 175.17 171.85 1sjm s TYR 80 N -2.89 3.10 -0.27 4.23 1.51 -0.39 -1.09 117.35 121.55 1sjm s TYR 80 Ca 0.65 0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 56.64 1sjm s TYR 80 Cb -0.19 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1sjm s TYR 80 CO 0.58 0.29 0.15 -1.17 -1.11 0.00 0.00 175.55 174.30 1sjm s LEU 81 N -0.46 3.86 -0.32 -1.29 0.20 -0.02 -0.64 118.68 120.02 1sjm s LEU 81 Ca 0.08 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.86 1sjm s LEU 81 Cb -0.12 -2.06 0.08 0.00 -0.43 0.00 0.00 46.19 43.65 1sjm s LEU 81 CO 0.02 -0.04 0.01 -0.70 -0.29 0.00 0.00 176.35 175.35 1sjm s GLU 82 N 1.66 2.02 -0.20 1.98 2.12 -0.11 -1.41 118.70 124.76 1sjm s GLU 82 Ca 0.07 -1.56 -0.08 0.00 0.36 0.00 0.00 54.97 53.76 1sjm s GLU 82 Cb -0.16 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1sjm s GLU 82 CO 0.08 -0.77 0.07 -1.17 -0.54 0.00 0.00 175.26 172.94 1sjm s LEU 83 N 1.08 3.75 -0.34 2.70 2.96 0.25 -1.45 118.68 127.64 1sjm s LEU 83 Ca 0.00 0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 1sjm s LEU 83 Cb -0.20 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1sjm s LEU 83 CO -0.05 0.12 0.52 -0.89 -1.32 0.00 0.00 176.35 174.74 1sjm s THR 84 N 0.67 5.01 -0.16 3.68 2.01 0.16 -1.19 115.64 125.83 1sjm s THR 84 Ca 0.04 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 1sjm s THR 84 Cb -0.13 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1sjm s THR 84 CO 0.02 -0.18 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.46 1sjm s LEU 85 N 2.41 2.83 -0.10 4.42 2.96 -0.17 -1.18 118.68 129.85 1sjm s LEU 85 Ca 0.19 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1sjm s LEU 85 Cb -0.15 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1sjm s LEU 85 CO 0.13 0.11 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.41 1sjm s ILE 86 N 0.70 1.99 -0.53 6.68 1.01 -0.51 -1.43 121.20 129.10 1sjm s ILE 86 Ca -0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 1sjm s ILE 86 Cb -0.15 -1.73 0.14 0.00 0.01 0.00 0.00 42.46 40.73 1sjm s ILE 86 CO 0.02 0.54 0.34 0.21 0.00 0.00 0.00 174.94 176.05 1sjm s ASN 87 N 0.46 5.28 0.73 3.58 2.47 -0.29 -1.12 114.94 126.04 1sjm s ASN 87 Ca -0.16 -2.46 -0.15 0.00 0.42 0.00 0.00 52.86 50.50 1sjm s ASN 87 Cb -0.17 -1.86 0.04 0.00 -1.45 0.00 0.00 41.25 37.81 1sjm s ASN 87 CO 0.07 -0.46 1.22 -2.84 -3.72 0.00 0.00 177.10 171.36 1sjm s PRO 88 N 0.51 2.12 0.29 0.43 0.02 -1.26 -0.18 135.00 136.93 1sjm s PRO 88 Ca 0.13 1.80 0.23 0.00 0.02 0.00 0.00 61.00 63.18 1sjm s PRO 88 Cb -0.22 -1.83 1.07 0.00 0.02 0.00 0.00 34.50 33.55 1sjm s PRO 88 CO -0.04 -1.86 1.70 -0.85 -0.33 0.00 0.00 177.00 175.62 1sjm n GLU 89 N -2.69 0.18 0.17 5.54 0.28 -1.26 -1.53 120.64 121.33 1sjm n GLU 89 Ca 0.14 0.51 0.14 0.00 -0.16 0.00 0.00 57.16 57.78 1sjm n GLU 89 Cb 0.50 -1.92 0.46 0.00 1.43 0.00 0.00 31.44 31.91 1sjm n GLU 89 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1sjm h THR 90 N 0.00 0.00 -4.40 3.84 1.35 -1.96 -3.45 112.91 108.30 1sjm h THR 90 Ca 0.00 -0.49 -0.48 0.00 -0.55 0.00 0.00 66.41 64.88 1sjm h THR 90 Cb 0.22 1.41 0.10 0.00 -1.73 0.00 0.00 68.15 68.15 1sjm h THR 90 CO 0.00 0.00 0.37 0.20 -0.25 0.00 0.00 175.52 175.84 1sjm s ASN 91 N -5.00 4.80 -0.02 5.36 0.01 -0.58 -5.01 114.94 114.49 1sjm s ASN 91 Ca 0.06 1.14 0.10 0.00 -0.71 0.00 0.00 52.86 53.46 1sjm s ASN 91 Cb 0.09 -1.86 -0.16 0.00 0.41 0.00 0.00 41.25 39.73 1sjm s ASN 91 CO 0.53 -1.75 0.21 0.35 -1.51 0.00 0.00 177.10 174.93 1sjm n THR 92 N -3.27 0.08 -4.28 1.60 -2.24 -1.26 -4.76 114.28 100.14 1sjm n THR 92 Ca 0.07 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 1sjm n THR 92 Cb 0.57 0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 1sjm n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sjm s LEU 93 N -3.85 2.96 0.38 3.22 1.43 -1.26 -4.89 118.68 116.67 1sjm s LEU 93 Ca -0.04 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.26 1sjm s LEU 93 Cb 0.06 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 1sjm s LEU 93 CO 0.44 0.12 1.16 -0.32 0.23 0.00 0.00 176.35 177.98 1sjm s MET 94 N -2.68 4.16 0.15 1.70 -2.45 -1.26 -4.16 119.30 114.76 1sjm s MET 94 Ca 0.24 1.83 -0.00 0.00 -1.25 0.00 0.00 55.69 56.51 1sjm s MET 94 Cb -0.09 -2.76 -0.04 0.00 1.25 0.00 0.00 34.83 33.19 1sjm s MET 94 CO 0.15 -0.23 0.05 -1.01 1.05 0.00 0.00 175.02 175.03 1sjm s HIS 95 N -1.38 1.02 0.00 4.11 0.09 -0.84 -4.90 115.29 113.39 1sjm s HIS 95 Ca 0.55 -1.18 0.00 0.00 -0.00 0.00 0.00 55.06 54.43 1sjm s HIS 95 Cb -0.31 -0.57 0.00 0.00 -0.00 0.00 0.00 32.58 31.70 1sjm s HIS 95 CO 0.39 -0.43 0.00 0.27 -0.00 0.00 0.00 174.74 174.97 1sjm n ASN 96 N -0.17 0.00 -3.77 1.40 6.94 -1.26 -0.97 115.26 117.43 1sjm n ASN 96 Ca -0.05 -0.81 -0.13 0.00 -0.02 0.00 0.00 54.58 53.58 1sjm n ASN 96 Cb 0.64 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.93 1sjm n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1sjm s ILE 97 N -2.65 -0.02 -0.26 1.53 2.07 -1.26 -4.19 121.20 116.43 1sjm s ILE 97 Ca 0.00 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.29 1sjm s ILE 97 Cb 0.00 -0.31 0.03 0.00 0.13 0.00 0.00 42.46 42.31 1sjm s ILE 97 CO 0.00 0.03 -0.04 -0.62 -1.91 0.00 0.00 174.94 172.39 1sjm s ASP 98 N 0.60 4.44 -0.34 4.50 3.68 0.46 -1.45 116.67 128.55 1sjm s ASP 98 Ca -0.04 -0.91 -0.18 0.00 2.13 0.00 0.00 52.55 53.55 1sjm s ASP 98 Cb -0.05 -1.68 -0.01 0.00 -1.45 0.00 0.00 42.92 39.73 1sjm s ASP 98 CO -0.03 -0.15 0.51 -0.36 0.13 0.00 0.00 175.17 175.27 1sjm s PHE 99 N 1.33 3.19 0.35 -5.34 0.40 0.24 -1.29 117.98 116.85 1sjm s PHE 99 Ca -0.00 0.21 0.37 0.00 -0.60 0.00 0.00 56.93 56.91 1sjm s PHE 99 Cb -0.17 -2.90 1.96 0.00 0.51 0.00 0.00 43.02 42.42 1sjm s PHE 99 CO -0.04 -0.52 2.14 0.45 0.70 0.00 0.00 175.22 177.95 1sjm h HIS 100 N 8.43 0.00 0.00 0.36 3.86 -1.48 -1.85 115.15 124.46 1sjm h HIS 100 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1sjm h HIS 100 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1sjm h HIS 100 CO 0.72 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.51 1sjm h ALA 101 N 2.01 1.00 -2.14 2.45 0.00 -1.90 -3.47 119.26 117.21 1sjm h ALA 101 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1sjm h ALA 101 Cb 0.08 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sjm h ALA 101 CO 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.00 1sjm s ALA 102 N -3.36 3.83 -0.18 0.00 0.00 -0.70 -4.58 121.76 116.77 1sjm s ALA 102 Ca 0.05 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1sjm s ALA 102 Cb 0.08 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 21.26 1sjm s ALA 102 CO 0.57 -0.02 -0.17 0.99 0.00 0.00 0.00 175.76 177.13 1sjm s THR 103 N -2.26 1.93 0.00 0.00 2.01 -1.26 -4.68 115.64 111.38 1sjm s THR 103 Ca 0.41 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1sjm s THR 103 Cb -0.09 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.61 1sjm s THR 103 CO 0.34 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 175.30 1sjm n GLY 104 N 4.64 2.92 4.03 4.40 0.00 -1.26 -4.95 105.19 114.97 1sjm n GLY 104 Ca -0.19 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.63 1sjm n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm n ALA 105 N 0.00 -1.89 -3.78 4.61 0.00 -1.26 -0.68 120.51 117.52 1sjm n ALA 105 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 1sjm n ALA 105 Cb 0.00 -1.76 0.04 0.00 0.00 0.00 0.00 19.45 17.73 1sjm n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sjm n LEU 106 N -4.42 -2.91 -0.01 0.00 4.77 -1.26 -1.17 117.00 112.00 1sjm n LEU 106 Ca -0.25 -0.72 -0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1sjm n LEU 106 Cb 0.66 -2.72 -0.00 0.00 -2.33 0.00 0.00 43.42 39.03 1sjm n LEU 106 CO 0.78 0.50 -0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1sjm n GLY 107 N -1.73 0.39 0.00 -0.72 0.00 0.15 -2.64 105.19 100.64 1sjm n GLY 107 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1sjm n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjm n GLY 108 N -2.03 1.98 0.26 -0.02 0.00 -0.32 -0.60 105.19 104.45 1sjm n GLY 108 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1sjm n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sjm h GLY 109 N 0.00 0.27 2.00 -0.02 0.00 -0.63 -1.74 103.07 102.95 1sjm h GLY 109 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1sjm h GLY 109 CO 0.00 0.13 0.00 -1.33 0.00 0.00 0.00 176.54 175.34 1sjm h GLY 110 N 0.58 0.00 -1.00 4.60 0.00 -1.51 -3.12 103.07 102.62 1sjm h GLY 110 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1sjm h GLY 110 CO 0.01 0.00 -0.02 1.04 0.00 0.00 0.00 176.54 177.57 1sjm n LEU 111 N -2.64 2.02 -0.30 3.11 4.77 -0.68 -4.68 117.00 118.60 1sjm n LEU 111 Ca 0.02 -0.98 0.06 0.00 -0.03 0.00 0.00 56.01 55.08 1sjm n LEU 111 Cb 0.28 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1sjm n LEU 111 CO 0.24 0.37 0.43 0.35 -1.33 0.00 0.00 177.39 177.46 1sjm n THR 112 N 0.65 1.21 -2.15 -5.08 -2.24 -1.04 -4.96 114.28 100.67 1sjm n THR 112 Ca 0.07 -1.52 -0.42 0.00 -2.27 0.00 0.00 64.05 59.91 1sjm n THR 112 Cb 0.32 0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1sjm n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sjm s GLU 113 N -1.84 3.35 -0.13 -0.78 2.02 -1.25 -4.19 118.70 115.89 1sjm s GLU 113 Ca 0.22 1.13 0.03 0.00 0.02 0.00 0.00 54.97 56.36 1sjm s GLU 113 Cb 0.20 -4.15 0.01 0.00 0.10 0.00 0.00 34.13 30.28 1sjm s GLU 113 CO 0.01 -1.84 -0.21 0.96 0.02 0.00 0.00 175.26 174.20 1sjm s ILE 114 N 6.53 1.92 0.70 -1.63 -4.36 -0.14 -4.98 121.20 119.24 1sjm s ILE 114 Ca 0.71 -0.90 -0.11 0.00 -0.26 0.00 0.00 60.65 60.08 1sjm s ILE 114 Cb -0.18 -1.70 0.01 0.00 1.25 0.00 0.00 42.46 41.85 1sjm s ILE 114 CO 0.32 0.52 1.08 0.20 0.24 0.00 0.00 174.94 177.30 1sjm s ASN 115 N 0.78 5.43 0.19 4.36 0.02 -1.26 -1.99 114.94 122.46 1sjm s ASN 115 Ca -0.09 1.23 -0.33 0.00 -1.02 0.00 0.00 52.86 52.65 1sjm s ASN 115 Cb -0.16 -2.07 -0.14 0.00 0.02 0.00 0.00 41.25 38.90 1sjm s ASN 115 CO -0.00 -1.36 1.41 -2.65 0.02 0.00 0.00 177.10 174.52 1sjm n PRO 116 N -3.04 1.82 -0.41 -0.60 -0.02 -1.26 -1.42 135.00 130.07 1sjm n PRO 116 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1sjm n PRO 116 Cb 0.56 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1sjm n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjm n GLY 117 N 2.55 0.76 3.44 -1.23 0.00 0.74 -4.73 105.19 106.73 1sjm n GLY 117 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1sjm n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjm s GLU 118 N -0.59 1.59 0.23 1.61 2.02 -0.51 -4.90 118.70 118.14 1sjm s GLU 118 Ca 0.00 -1.67 0.01 0.00 0.02 0.00 0.00 54.97 53.34 1sjm s GLU 118 Cb 0.00 -1.72 -0.05 0.00 0.10 0.00 0.00 34.13 32.46 1sjm s GLU 118 CO 0.00 0.34 0.06 -1.59 0.02 0.00 0.00 175.26 174.09 1sjm s LYS 119 N -3.24 1.30 0.10 1.61 -2.85 -1.26 -1.14 119.74 114.26 1sjm s LYS 119 Ca 0.26 -1.68 -0.17 0.00 -1.00 0.00 0.00 55.97 53.38 1sjm s LYS 119 Cb -0.06 -0.26 0.04 0.00 -2.06 0.00 0.00 37.83 35.49 1sjm s LYS 119 CO 0.12 -0.24 0.42 -0.08 0.10 0.00 0.00 175.35 175.67 1sjm s THR 120 N -3.73 0.06 -0.13 3.79 -1.32 -0.52 -5.01 115.64 108.80 1sjm s THR 120 Ca 0.33 -0.50 -0.00 0.00 -1.21 0.00 0.00 61.69 60.31 1sjm s THR 120 Cb 0.07 -1.09 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1sjm s THR 120 CO 0.10 -0.28 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.50 1sjm s ILE 121 N -3.32 1.24 -0.10 5.08 1.01 -1.26 -1.00 121.20 122.85 1sjm s ILE 121 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1sjm s ILE 121 Cb 0.01 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1sjm s ILE 121 CO -0.09 0.40 -0.10 -0.22 0.00 0.00 0.00 174.94 174.94 1sjm s LEU 122 N 1.60 2.93 -0.07 2.97 2.96 -0.33 -4.96 118.68 123.78 1sjm s LEU 122 Ca 0.05 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1sjm s LEU 122 Cb -0.13 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 1sjm s LEU 122 CO -0.09 0.26 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.36 1sjm s ARG 123 N -0.19 2.65 0.05 1.98 3.52 -1.26 -0.58 118.95 125.12 1sjm s ARG 123 Ca 0.01 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.77 1sjm s ARG 123 Cb -0.13 -2.13 -0.03 0.00 -1.56 0.00 0.00 34.95 31.10 1sjm s ARG 123 CO 0.03 0.27 -0.05 -0.59 -0.81 0.00 0.00 175.30 174.15 1sjm s PHE 124 N 0.09 0.59 -0.12 5.12 -0.12 -0.50 -4.98 117.98 118.06 1sjm s PHE 124 Ca -0.10 -0.72 -0.23 0.00 -0.05 0.00 0.00 56.93 55.83 1sjm s PHE 124 Cb -0.15 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.83 1sjm s PHE 124 CO 0.06 -0.19 0.68 0.21 -0.05 0.00 0.00 175.22 175.93 1sjm s LYS 125 N -2.55 4.35 -1.21 1.99 2.20 -1.26 -0.84 119.74 122.41 1sjm s LYS 125 Ca -0.03 0.80 -0.15 0.00 -0.36 0.00 0.00 55.97 56.23 1sjm s LYS 125 Cb -0.03 -3.50 0.15 0.00 -1.51 0.00 0.00 37.83 32.94 1sjm s LYS 125 CO -0.03 -0.07 1.49 0.00 -0.36 0.00 0.00 175.35 176.37 1sjm s ALA 126 N 1.29 3.83 -0.53 3.13 0.00 -0.25 -4.77 121.76 124.46 1sjm s ALA 126 Ca 0.34 -3.24 0.24 0.00 0.00 0.00 0.00 51.96 49.30 1sjm s ALA 126 Cb -0.17 -4.23 0.53 0.00 0.00 0.00 0.00 23.12 19.25 1sjm s ALA 126 CO 0.14 -2.89 1.68 1.79 0.00 0.00 0.00 175.76 176.48 1sjm h THR 127 N 4.90 0.00 -3.42 0.00 1.35 -1.85 0.12 112.91 114.00 1sjm h THR 127 Ca 0.34 -0.80 -0.60 0.00 -0.55 0.00 0.00 66.41 64.80 1sjm h THR 127 Cb 0.88 1.80 -0.33 0.00 -1.73 0.00 0.00 68.15 68.77 1sjm h THR 127 CO 1.29 0.00 -0.85 -0.54 -0.25 0.00 0.00 175.52 175.17 1sjm s LYS 128 N -3.18 2.34 0.14 4.72 1.02 -1.26 -4.74 119.74 118.78 1sjm s LYS 128 Ca 0.08 -0.65 -0.27 0.00 0.02 0.00 0.00 55.97 55.15 1sjm s LYS 128 Cb 0.08 -1.84 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 1sjm s LYS 128 CO 0.64 0.12 0.85 -1.25 -0.92 0.00 0.00 175.35 174.79 1sjm s PRO 129 N 0.46 4.65 0.00 -1.68 0.04 -1.26 -4.80 135.00 132.41 1sjm s PRO 129 Ca -0.16 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1sjm s PRO 129 Cb -0.17 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1sjm s PRO 129 CO 0.06 0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.92 1sjm n GLY 130 N 1.90 0.36 3.87 0.56 0.00 0.18 -2.05 105.19 110.02 1sjm n GLY 130 Ca -0.02 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1sjm n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjm s VAL 131 N -1.91 5.29 -0.04 1.61 -7.23 0.44 -0.16 120.40 118.40 1sjm s VAL 131 Ca 0.00 0.36 -0.04 0.00 -1.81 0.00 0.00 61.98 60.49 1sjm s VAL 131 Cb 0.00 -3.55 0.01 0.00 0.56 0.00 0.00 36.38 33.40 1sjm s VAL 131 CO 0.00 0.49 0.11 -0.36 -0.31 0.00 0.00 175.10 175.04 1sjm s PHE 132 N -1.17 -0.11 0.50 2.82 0.08 -0.39 -4.47 117.98 115.25 1sjm s PHE 132 Ca 0.23 0.26 -0.22 0.00 0.12 0.00 0.00 56.93 57.32 1sjm s PHE 132 Cb -0.14 0.03 -0.06 0.00 -0.57 0.00 0.00 43.02 42.28 1sjm s PHE 132 CO 0.12 -0.08 1.18 0.08 -0.10 0.00 0.00 175.22 176.42 1sjm s VAL 133 N -0.07 2.98 0.12 -0.44 1.01 -1.26 -0.58 120.40 122.15 1sjm s VAL 133 Ca -0.01 0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1sjm s VAL 133 Cb -0.01 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1sjm s VAL 133 CO 0.00 -0.05 -0.20 -0.72 0.00 0.00 0.00 175.10 174.14 1sjm s TYR 134 N -1.58 1.78 0.13 5.22 -0.85 -0.67 -1.28 117.35 120.10 1sjm s TYR 134 Ca 0.67 -0.44 -0.24 0.00 -0.52 0.00 0.00 57.07 56.55 1sjm s TYR 134 Cb -0.29 -0.95 0.07 0.00 0.38 0.00 0.00 41.96 41.18 1sjm s TYR 134 CO 0.34 0.24 0.64 -3.38 -1.52 0.00 0.00 175.55 171.87 1sjm s HIS 135 N -1.44 -0.52 0.50 -3.49 -3.43 -0.41 -0.87 115.29 105.63 1sjm s HIS 135 Ca 0.09 0.34 -0.20 0.00 -0.80 0.00 0.00 55.06 54.49 1sjm s HIS 135 Cb -0.09 0.55 -0.08 0.00 -1.43 0.00 0.00 32.58 31.54 1sjm s HIS 135 CO 0.05 -0.80 1.06 0.00 -2.00 0.00 0.00 174.74 173.04 1sjm n ALA 137 N -1.08 -0.80 -2.40 0.00 0.00 -1.26 -4.54 120.51 110.44 1sjm n ALA 137 Ca 0.10 -1.69 -0.42 0.00 0.00 0.00 0.00 53.44 51.42 1sjm n ALA 137 Cb 0.52 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1sjm n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1sjm s PRO 138 N 0.42 4.35 0.11 0.00 0.02 -1.26 -4.88 135.00 133.76 1sjm s PRO 138 Ca 0.32 1.76 -0.36 0.00 0.02 0.00 0.00 61.00 62.74 1sjm s PRO 138 Cb 0.19 -3.52 -0.16 0.00 0.02 0.00 0.00 34.50 31.03 1sjm s PRO 138 CO -0.21 -0.44 1.35 -2.30 -0.33 0.00 0.00 177.00 175.07 1sjm n PRO 139 N 5.01 1.29 0.00 5.54 -0.02 -1.26 -1.05 135.00 144.52 1sjm n PRO 139 Ca 0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1sjm n PRO 139 Cb 0.46 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1sjm n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjm n GLY 140 N 2.56 2.05 0.89 -1.23 0.00 -1.26 -4.81 105.19 103.40 1sjm n GLY 140 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1sjm n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sjm n MET 141 N -2.00 0.34 0.39 1.61 2.81 -0.21 -4.98 117.12 115.07 1sjm n MET 141 Ca 0.00 -1.89 -0.15 0.00 -1.81 0.00 0.00 57.70 53.85 1sjm n MET 141 Cb 0.00 -0.53 -0.07 0.00 -0.71 0.00 0.00 33.22 31.90 1sjm n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1sjm h VAL 142 N 5.50 0.00 -0.12 2.03 2.07 -1.84 -2.81 116.25 121.09 1sjm h VAL 142 Ca -0.10 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1sjm h VAL 142 Cb 1.52 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1sjm h VAL 142 CO 0.04 0.00 -0.12 1.55 0.02 0.00 0.00 177.57 179.06 1sjm h PRO 143 N -1.19 0.18 -0.69 1.57 0.13 -1.92 -2.43 132.00 127.64 1sjm h PRO 143 Ca -0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1sjm h PRO 143 Cb 0.77 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.84 1sjm h PRO 143 CO 0.17 0.31 0.44 2.35 -0.23 0.00 0.00 178.00 181.04 1sjm h TRP 144 N 0.17 0.88 -0.43 1.56 7.01 -1.95 0.39 115.95 123.59 1sjm h TRP 144 Ca 0.04 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 60.96 1sjm h TRP 144 Cb 0.33 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1sjm h TRP 144 CO 0.00 0.58 -0.07 0.45 -2.79 0.00 0.00 178.44 176.61 1sjm h HIS 145 N 0.93 0.90 -0.35 2.65 3.86 -1.20 -2.20 115.15 119.74 1sjm h HIS 145 Ca 0.25 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1sjm h HIS 145 Cb -0.07 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 1sjm h HIS 145 CO -0.02 0.91 0.13 0.28 0.86 0.00 0.00 177.93 180.08 1sjm h VAL 146 N 0.64 1.20 -0.00 2.45 2.07 -0.97 -2.24 116.25 119.40 1sjm h VAL 146 Ca 0.11 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1sjm h VAL 146 Cb 0.59 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1sjm h VAL 146 CO 0.04 0.22 -0.01 1.33 0.02 0.00 0.00 177.57 179.17 1sjm n VAL 147 N -4.67 0.00 0.55 2.57 0.24 0.08 -1.51 118.33 115.59 1sjm n VAL 147 Ca -0.01 -0.03 0.07 0.00 -2.04 0.00 0.00 64.34 62.32 1sjm n VAL 147 Cb 0.15 -0.36 0.20 0.00 -1.47 0.00 0.00 33.84 32.36 1sjm n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1sjm n SER 148 N -0.88 2.46 0.00 -1.34 7.64 -0.83 -4.64 113.62 116.04 1sjm n SER 148 Ca 0.22 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1sjm n SER 148 Cb 0.16 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1sjm n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sjm n GLY 149 N 1.10 0.80 2.82 0.23 0.00 -0.57 -1.46 105.19 108.10 1sjm n GLY 149 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1sjm n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sjm n MET 150 N -2.04 3.63 -3.47 1.61 0.00 -0.89 -4.53 117.12 111.43 1sjm n MET 150 Ca 0.00 -3.43 -0.14 0.00 0.00 0.00 0.00 57.70 54.13 1sjm n MET 150 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 33.22 30.25 1sjm n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1sjm s ASN 151 N 1.01 -0.58 0.00 6.12 2.20 -1.26 -1.75 114.94 120.69 1sjm s ASN 151 Ca 0.41 0.27 0.00 0.00 -0.94 0.00 0.00 52.86 52.60 1sjm s ASN 151 Cb 0.11 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.91 1sjm s ASN 151 CO -0.01 -0.79 0.00 0.61 -2.94 0.00 0.00 177.10 173.97 1sjm n GLY 152 N 0.13 3.60 3.37 0.45 0.00 -0.05 -0.68 105.19 112.01 1sjm n GLY 152 Ca -0.17 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1sjm n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm s ALA 153 N -1.11 -0.74 0.25 4.61 0.00 -1.26 -1.68 121.76 121.83 1sjm s ALA 153 Ca 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 51.96 51.78 1sjm s ALA 153 Cb 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1sjm s ALA 153 CO 0.00 -0.68 -0.15 0.96 0.00 0.00 0.00 175.76 175.89 1sjm s ILE 154 N -3.85 1.99 -0.14 0.00 -4.36 0.25 -2.95 121.20 112.14 1sjm s ILE 154 Ca 0.07 -2.26 0.02 0.00 -0.26 0.00 0.00 60.65 58.21 1sjm s ILE 154 Cb 0.02 -2.21 0.01 0.00 1.25 0.00 0.00 42.46 41.53 1sjm s ILE 154 CO -0.08 -0.47 -0.19 -0.32 0.24 0.00 0.00 174.94 174.13 1sjm s MET 155 N -3.61 2.67 -0.52 0.37 -2.45 0.38 -1.26 119.30 114.88 1sjm s MET 155 Ca 0.26 -0.72 -0.11 0.00 -1.25 0.00 0.00 55.69 53.88 1sjm s MET 155 Cb -0.01 -2.24 0.13 0.00 1.25 0.00 0.00 34.83 33.96 1sjm s MET 155 CO 0.11 -0.08 0.41 0.08 1.05 0.00 0.00 175.02 176.59 1sjm s VAL 156 N 1.02 4.50 0.43 10.11 1.01 0.77 -1.34 120.40 136.90 1sjm s VAL 156 Ca -0.04 -1.83 -0.22 0.00 0.00 0.00 0.00 61.98 59.89 1sjm s VAL 156 Cb -0.15 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 1sjm s VAL 156 CO -0.04 -0.82 1.04 -0.76 0.00 0.00 0.00 175.10 174.51 1sjm s LEU 157 N 1.27 4.02 0.63 3.92 1.43 -0.12 -0.64 118.68 129.19 1sjm s LEU 157 Ca 0.06 1.97 -0.18 0.00 -1.03 0.00 0.00 54.13 54.95 1sjm s LEU 157 Cb -0.26 -4.35 -0.02 0.00 0.03 0.00 0.00 46.19 41.60 1sjm s LEU 157 CO -0.01 -0.58 1.30 -2.84 0.23 0.00 0.00 176.35 174.45 1sjm s PRO 158 N -2.81 2.63 0.53 1.29 0.02 -1.26 -0.80 135.00 134.59 1sjm s PRO 158 Ca 0.61 2.07 0.20 0.00 0.02 0.00 0.00 61.00 63.91 1sjm s PRO 158 Cb -0.19 -1.89 1.38 0.00 0.02 0.00 0.00 34.50 33.82 1sjm s PRO 158 CO 0.23 -1.54 2.15 0.00 -0.33 0.00 0.00 177.00 177.51 1sjm h ARG 159 N 0.65 0.00 -0.65 5.54 3.08 -1.89 -1.16 114.38 119.96 1sjm h ARG 159 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1sjm h ARG 159 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1sjm h ARG 159 CO 0.54 0.04 0.00 0.39 -1.07 0.00 0.00 179.97 179.87 1sjm n GLU 160 N -4.26 3.07 -0.13 0.04 -0.58 -1.26 -0.67 120.64 116.84 1sjm n GLU 160 Ca -0.03 -1.94 0.02 0.00 -0.42 0.00 0.00 57.16 54.79 1sjm n GLU 160 Cb 0.12 -1.80 -0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1sjm n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sjm n GLY 161 N 0.68 -1.97 3.83 0.62 0.00 -0.44 -4.78 105.19 103.13 1sjm n GLY 161 Ca 0.17 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1sjm n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sjm s LEU 162 N 0.00 3.92 0.06 0.99 1.43 -1.26 -4.42 118.68 119.40 1sjm s LEU 162 Ca 0.00 1.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 1sjm s LEU 162 Cb 0.00 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1sjm s LEU 162 CO 0.00 -0.37 -0.06 -1.00 0.23 0.00 0.00 176.35 175.16 1sjm s HIS 163 N -2.21 0.67 0.58 0.29 3.76 -1.26 -1.27 115.29 115.85 1sjm s HIS 163 Ca 0.61 -0.80 -0.10 0.00 -0.15 0.00 0.00 55.06 54.62 1sjm s HIS 163 Cb -0.09 -0.42 0.14 0.00 1.11 0.00 0.00 32.58 33.32 1sjm s HIS 163 CO 0.15 -0.19 0.68 -0.40 -0.85 0.00 0.00 174.74 174.13 1sjm n ASP 164 N 0.57 -0.52 0.08 1.40 5.68 0.50 -4.82 116.55 119.45 1sjm n ASP 164 Ca -0.17 -1.12 0.08 0.00 -0.50 0.00 0.00 54.79 53.09 1sjm n ASP 164 Cb 0.59 -0.55 0.38 0.00 -1.14 0.00 0.00 41.12 40.40 1sjm n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sjm n GLY 165 N -0.33 -0.97 0.16 6.12 0.00 -1.26 -2.76 105.19 106.14 1sjm n GLY 165 Ca 0.09 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1sjm n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sjm n LYS 166 N -1.93 1.53 -0.84 1.61 4.76 -1.26 -4.99 118.16 117.04 1sjm n LYS 166 Ca 0.01 -2.57 0.00 0.00 -2.87 0.00 0.00 58.31 52.89 1sjm n LYS 166 Cb 0.13 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1sjm n LYS 166 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sjm n GLY 167 N -1.30 0.64 3.75 0.72 0.00 -1.11 -5.05 105.19 102.85 1sjm n GLY 167 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1sjm n GLY 167 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sjm s LYS 168 N -0.16 4.63 0.36 1.61 2.20 -1.26 -4.83 119.74 122.29 1sjm s LYS 168 Ca 0.00 1.28 -0.28 0.00 -0.36 0.00 0.00 55.97 56.61 1sjm s LYS 168 Cb 0.00 -3.34 -0.10 0.00 -1.51 0.00 0.00 37.83 32.88 1sjm s LYS 168 CO 0.00 0.35 1.36 0.00 -0.36 0.00 0.00 175.35 176.70 1sjm s ALA 169 N -0.41 3.47 -0.19 3.13 0.00 -1.26 -0.37 121.76 126.13 1sjm s ALA 169 Ca 0.41 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1sjm s ALA 169 Cb -0.23 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.41 1sjm s ALA 169 CO 0.27 -0.80 -0.12 -0.51 0.00 0.00 0.00 175.76 174.60 1sjm s LEU 170 N -2.00 2.28 -0.20 0.00 1.43 -0.40 -4.77 118.68 115.02 1sjm s LEU 170 Ca 0.52 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1sjm s LEU 170 Cb -0.41 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.55 1sjm s LEU 170 CO 0.55 -0.12 -0.18 -0.89 0.23 0.00 0.00 176.35 175.95 1sjm s THR 171 N 1.37 2.08 0.36 5.49 2.01 -1.26 -4.01 115.64 121.68 1sjm s THR 171 Ca -0.00 -1.13 -0.18 0.00 0.31 0.00 0.00 61.69 60.69 1sjm s THR 171 Cb -0.16 -1.97 -0.10 0.00 0.01 0.00 0.00 72.50 70.29 1sjm s THR 171 CO -0.09 0.38 0.82 -0.72 -0.69 0.00 0.00 174.62 174.33 1sjm s TYR 172 N 1.24 3.36 0.05 4.92 -0.85 -1.26 -4.90 117.35 119.91 1sjm s TYR 172 Ca 0.01 1.39 -0.01 0.00 -0.52 0.00 0.00 57.07 57.94 1sjm s TYR 172 Cb -0.15 -2.67 -0.26 0.00 0.38 0.00 0.00 41.96 39.26 1sjm s TYR 172 CO -0.11 0.03 1.03 -0.44 -1.52 0.00 0.00 175.55 174.54 1sjm h ASP 173 N 2.18 0.31 -5.13 -0.18 3.32 -1.02 -3.49 116.42 112.40 1sjm h ASP 173 Ca -0.48 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.14 1sjm h ASP 173 Cb 1.18 -0.10 -0.12 0.00 0.22 0.00 0.00 39.33 40.51 1sjm h ASP 173 CO 0.64 1.30 -0.12 -1.59 -1.72 0.00 0.00 179.24 177.74 1sjm s LYS 174 N -2.65 1.17 -0.01 3.56 -2.85 -1.03 -5.02 119.74 112.91 1sjm s LYS 174 Ca -0.05 -0.89 0.01 0.00 -1.00 0.00 0.00 55.97 54.04 1sjm s LYS 174 Cb 0.08 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1sjm s LYS 174 CO 0.86 -0.46 -0.03 -1.50 0.10 0.00 0.00 175.35 174.32 1sjm s ILE 175 N -3.87 0.26 0.09 3.79 2.07 -1.26 -1.54 121.20 120.74 1sjm s ILE 175 Ca 0.08 -0.11 0.08 0.00 -1.41 0.00 0.00 60.65 59.29 1sjm s ILE 175 Cb 0.02 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.32 1sjm s ILE 175 CO -0.06 0.09 -0.21 -0.31 -1.91 0.00 0.00 174.94 172.54 1sjm s TYR 176 N 0.11 1.80 -0.26 3.50 2.02 -0.41 -4.52 117.35 119.59 1sjm s TYR 176 Ca -0.01 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1sjm s TYR 176 Cb -0.04 -1.01 0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1sjm s TYR 176 CO -0.00 0.18 -0.06 -0.47 -1.57 0.00 0.00 175.55 173.63 1sjm s TYR 177 N -1.07 3.14 -0.42 2.71 5.04 0.06 -0.99 117.35 125.82 1sjm s TYR 177 Ca 0.07 -1.80 -0.13 0.00 -2.44 0.00 0.00 57.07 52.77 1sjm s TYR 177 Cb -0.10 -2.04 0.05 0.00 0.35 0.00 0.00 41.96 40.22 1sjm s TYR 177 CO 0.04 -0.79 0.29 0.08 -1.34 0.00 0.00 175.55 173.83 1sjm s VAL 178 N 1.26 4.86 -0.19 3.14 1.01 0.51 -4.22 120.40 126.78 1sjm s VAL 178 Ca -0.03 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 1sjm s VAL 178 Cb -0.18 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1sjm s VAL 178 CO -0.04 -0.39 0.38 -0.83 0.00 0.00 0.00 175.10 174.22 1sjm s GLY 179 N 1.95 2.13 -0.17 4.51 0.00 -1.26 -1.93 107.32 112.55 1sjm s GLY 179 Ca 0.03 -0.49 -0.07 0.00 0.00 0.00 0.00 44.72 44.19 1sjm s GLY 179 CO 0.07 0.74 0.06 1.85 0.00 0.00 0.00 173.10 175.82 1sjm s GLU 180 N 1.11 3.84 -0.11 2.90 2.12 -0.58 -1.97 118.70 126.00 1sjm s GLU 180 Ca 0.19 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.20 1sjm s GLU 180 Cb -0.14 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1sjm s GLU 180 CO 0.07 0.36 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.87 1sjm s GLN 181 N 0.13 2.17 -0.21 4.30 2.00 0.41 -4.50 119.66 123.94 1sjm s GLN 181 Ca 0.05 -0.54 -0.21 0.00 -2.00 0.00 0.00 55.36 52.66 1sjm s GLN 181 Cb -0.12 -1.86 -0.02 0.00 0.80 0.00 0.00 33.01 31.80 1sjm s GLN 181 CO 0.01 -0.08 0.66 0.16 -0.50 0.00 0.00 175.29 175.54 1sjm s ASP 182 N 1.03 6.69 0.11 6.67 3.84 -1.26 -1.03 116.67 132.72 1sjm s ASP 182 Ca -0.06 0.85 0.07 0.00 -0.00 0.00 0.00 52.55 53.41 1sjm s ASP 182 Cb -0.15 -2.36 -0.04 0.00 -1.38 0.00 0.00 42.92 38.99 1sjm s ASP 182 CO -0.02 -0.32 -0.10 -0.36 -0.00 0.00 0.00 175.17 174.37 1sjm s PHE 183 N 2.12 2.74 -0.54 2.11 0.08 -0.27 -4.76 117.98 119.46 1sjm s PHE 183 Ca 0.29 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.22 1sjm s PHE 183 Cb -0.16 -1.43 0.16 0.00 -0.57 0.00 0.00 43.02 41.02 1sjm s PHE 183 CO 0.10 0.43 0.37 0.71 -0.10 0.00 0.00 175.22 176.73 1sjm s TYR 184 N -1.22 2.35 -0.25 0.36 1.51 -1.26 -0.99 117.35 117.84 1sjm s TYR 184 Ca 0.21 -2.77 -0.14 0.00 -1.01 0.00 0.00 57.07 53.36 1sjm s TYR 184 Cb -0.11 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1sjm s TYR 184 CO 0.14 -0.70 0.34 0.08 -1.11 0.00 0.00 175.55 174.29 1sjm s VAL 185 N -0.46 5.22 0.61 0.71 1.01 -1.26 -4.78 120.40 121.45 1sjm s VAL 185 Ca 0.25 0.52 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 1sjm s VAL 185 Cb -0.08 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1sjm s VAL 185 CO -0.13 0.21 1.28 -2.65 0.00 0.00 0.00 175.10 173.82 1sjm n PRO 186 N 4.94 1.26 -4.40 2.72 -0.02 -1.26 -4.88 135.00 133.36 1sjm n PRO 186 Ca -0.10 0.48 -0.26 0.00 -2.02 0.00 0.00 63.50 61.60 1sjm n PRO 186 Cb 0.51 -2.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 1sjm n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sjm s ARG 187 N -3.17 1.45 0.52 -0.52 0.52 -1.26 -1.07 118.95 115.43 1sjm s ARG 187 Ca 0.79 -1.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.48 1sjm s ARG 187 Cb -0.40 -1.75 0.11 0.00 0.52 0.00 0.00 34.95 33.43 1sjm s ARG 187 CO 0.43 0.38 0.72 -0.40 0.02 0.00 0.00 175.30 176.45 1sjm n ASP 188 N 0.37 0.48 0.25 0.23 5.68 0.03 -4.86 116.55 118.74 1sjm n ASP 188 Ca -0.13 -1.52 0.17 0.00 -0.50 0.00 0.00 54.79 52.81 1sjm n ASP 188 Cb 0.56 -0.51 0.70 0.00 -1.14 0.00 0.00 41.12 40.72 1sjm n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1sjm h GLU 189 N 0.00 0.00 -0.00 0.11 4.39 -2.02 -0.91 114.58 116.16 1sjm h GLU 189 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1sjm h GLU 189 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1sjm h GLU 189 CO 0.21 0.00 -0.01 0.09 -1.16 0.00 0.00 179.01 178.14 1sjm n ASN 190 N -2.91 0.13 -0.10 1.42 3.02 -1.26 -4.92 115.26 110.63 1sjm n ASN 190 Ca 0.01 -0.86 -0.01 0.00 -0.03 0.00 0.00 54.58 53.68 1sjm n ASN 190 Cb 0.27 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1sjm n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sjm n GLY 191 N 1.08 0.50 3.87 7.41 0.00 -0.35 -5.03 105.19 112.67 1sjm n GLY 191 Ca 0.21 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1sjm n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjm s LYS 192 N -1.04 3.74 0.37 1.61 -0.14 -1.26 -4.80 119.74 118.23 1sjm s LYS 192 Ca 0.00 0.15 -0.27 0.00 -1.36 0.00 0.00 55.97 54.49 1sjm s LYS 192 Cb 0.00 -3.00 -0.09 0.00 -1.68 0.00 0.00 37.83 33.06 1sjm s LYS 192 CO 0.00 0.56 1.29 0.71 -0.76 0.00 0.00 175.35 177.16 1sjm s TYR 193 N -1.40 2.94 0.33 3.18 1.51 -1.26 -0.79 117.35 121.86 1sjm s TYR 193 Ca 0.33 1.42 -0.10 0.00 -1.01 0.00 0.00 57.07 57.71 1sjm s TYR 193 Cb -0.14 -3.65 -0.07 0.00 -0.11 0.00 0.00 41.96 37.99 1sjm s TYR 193 CO 0.18 -1.93 0.68 0.15 -1.11 0.00 0.00 175.55 173.52 1sjm s LYS 194 N -2.05 3.80 0.08 -0.62 1.02 -0.23 -4.82 119.74 116.92 1sjm s LYS 194 Ca 0.53 0.38 0.08 0.00 0.02 0.00 0.00 55.97 56.99 1sjm s LYS 194 Cb -0.38 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1sjm s LYS 194 CO 0.50 0.12 -0.19 0.15 -0.92 0.00 0.00 175.35 175.01 1sjm s LYS 195 N -3.41 1.90 0.07 1.68 1.02 -1.26 -4.75 119.74 114.98 1sjm s LYS 195 Ca 0.50 -1.10 0.05 0.00 0.02 0.00 0.00 55.97 55.44 1sjm s LYS 195 Cb -0.11 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1sjm s LYS 195 CO 0.26 0.51 -0.13 0.71 -0.92 0.00 0.00 175.35 175.78 1sjm s TYR 196 N -1.03 1.13 -0.04 3.18 2.02 -1.26 -5.08 117.35 116.27 1sjm s TYR 196 Ca 0.16 -0.46 -0.25 0.00 -0.37 0.00 0.00 57.07 56.15 1sjm s TYR 196 Cb -0.10 -0.64 -0.21 0.00 -0.40 0.00 0.00 41.96 40.61 1sjm s TYR 196 CO 0.08 0.03 1.15 0.93 -1.57 0.00 0.00 175.55 176.16 1sjm h GLU 197 N 4.34 0.10 -5.81 -0.62 5.08 -2.01 -3.46 114.58 112.20 1sjm h GLU 197 Ca -0.40 -0.08 -0.50 0.00 -1.00 0.00 0.00 59.36 57.38 1sjm h GLU 197 Cb 1.19 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.29 1sjm h GLU 197 CO 0.40 0.72 -0.76 0.00 -1.00 0.00 0.00 179.01 178.36 1sjm s ALA 198 N -3.67 2.04 0.29 3.43 0.00 -1.26 -5.05 121.76 117.55 1sjm s ALA 198 Ca -0.16 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.27 1sjm s ALA 198 Cb 0.01 -0.15 0.64 0.00 0.00 0.00 0.00 23.12 23.62 1sjm s ALA 198 CO 0.71 0.18 1.81 -1.35 0.00 0.00 0.00 175.76 177.11 1sjm h PRO 199 N 2.96 0.86 -0.23 0.00 0.11 -1.95 -2.13 132.00 131.63 1sjm h PRO 199 Ca -0.41 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1sjm h PRO 199 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1sjm h PRO 199 CO 0.55 0.57 0.08 0.78 -0.21 0.00 0.00 178.00 179.78 1sjm h GLY 200 N 0.89 0.35 2.00 -0.55 0.00 -2.00 -2.36 103.07 101.40 1sjm h GLY 200 Ca 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1sjm h GLY 200 CO -0.31 0.15 -0.11 -0.55 0.00 0.00 0.00 176.54 175.72 1sjm h ASP 201 N 0.33 0.00 0.60 0.19 3.45 -1.80 -2.65 116.42 116.54 1sjm h ASP 201 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1sjm h ASP 201 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1sjm h ASP 201 CO -0.01 0.11 -0.56 0.00 -1.57 0.00 0.00 179.24 177.21 1sjm n ALA 202 N -2.27 3.34 0.24 3.45 0.00 -0.89 -4.61 120.51 119.79 1sjm n ALA 202 Ca -0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 1sjm n ALA 202 Cb 0.23 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 1sjm n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sjm h TYR 203 N 0.00 -1.22 -0.65 0.00 5.03 -1.52 -0.61 116.97 118.01 1sjm h TYR 203 Ca 0.00 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 1sjm h TYR 203 Cb 0.58 0.48 -0.03 0.00 1.55 0.00 0.00 36.73 39.32 1sjm h TYR 203 CO 0.00 -0.59 0.25 0.93 -1.32 0.00 0.00 178.16 177.43 1sjm h GLU 204 N -0.86 0.97 -0.45 1.82 4.39 -1.81 -0.59 114.58 118.04 1sjm h GLU 204 Ca -0.04 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 1sjm h GLU 204 Cb 0.78 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1sjm h GLU 204 CO -0.09 0.82 -0.04 -0.44 -1.16 0.00 0.00 179.01 178.10 1sjm h ASP 205 N 0.91 0.74 -0.26 1.42 3.45 -1.82 -2.72 116.42 118.15 1sjm h ASP 205 Ca 0.21 -0.19 -0.13 0.00 0.43 0.00 0.00 57.03 57.35 1sjm h ASP 205 Cb 0.22 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.79 1sjm h ASP 205 CO -0.02 0.83 -0.36 0.74 -1.57 0.00 0.00 179.24 178.87 1sjm h THR 206 N 0.71 1.31 -0.88 0.35 2.02 -0.50 -2.91 112.91 113.02 1sjm h THR 206 Ca 0.13 -1.55 0.05 0.00 0.77 0.00 0.00 66.41 65.81 1sjm h THR 206 Cb 0.49 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1sjm h THR 206 CO 0.03 0.49 0.57 0.58 0.37 0.00 0.00 175.52 177.56 1sjm h VAL 207 N 0.43 1.10 -0.61 3.16 2.07 -1.00 0.10 116.25 121.50 1sjm h VAL 207 Ca 0.03 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1sjm h VAL 207 Cb 0.95 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1sjm h VAL 207 CO 0.08 0.19 0.38 0.50 0.02 0.00 0.00 177.57 178.75 1sjm h LYS 208 N 1.03 0.74 -0.42 1.57 3.64 -1.31 -1.40 116.57 120.41 1sjm h LYS 208 Ca 0.36 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1sjm h LYS 208 Cb 0.13 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1sjm h LYS 208 CO -0.12 0.49 -0.06 0.28 -2.27 0.00 0.00 179.45 177.76 1sjm h VAL 209 N 0.76 1.27 -0.99 2.00 2.07 -1.10 -2.98 116.25 117.29 1sjm h VAL 209 Ca 0.24 -1.14 0.10 0.00 0.82 0.00 0.00 66.70 66.72 1sjm h VAL 209 Cb -0.01 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1sjm h VAL 209 CO -0.09 0.39 0.63 0.24 0.02 0.00 0.00 177.57 178.76 1sjm h MET 210 N 0.62 1.00 0.00 1.57 2.86 -0.48 -1.89 114.93 118.61 1sjm h MET 210 Ca 0.11 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1sjm h MET 210 Cb 0.58 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1sjm h MET 210 CO 0.03 0.66 0.00 0.00 1.06 0.00 0.00 176.91 178.67 1sjm h ARG 211 N 1.03 0.00 0.00 1.72 3.08 -1.10 -0.38 114.38 118.72 1sjm h ARG 211 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 1sjm h ARG 211 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1sjm h ARG 211 CO -0.22 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.93 1sjm n THR 212 N -2.38 0.77 -2.06 2.04 -2.24 -0.71 -4.90 114.28 104.79 1sjm n THR 212 Ca 0.02 0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.77 1sjm n THR 212 Cb 0.27 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.50 1sjm n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sjm n LEU 213 N -1.90 -1.54 -3.83 3.22 4.77 -0.15 -4.94 117.00 112.63 1sjm n LEU 213 Ca 0.04 0.21 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 1sjm n LEU 213 Cb 0.25 -2.63 -0.15 0.00 -2.33 0.00 0.00 43.42 38.56 1sjm n LEU 213 CO 0.20 -0.49 -0.34 -0.89 -1.33 0.00 0.00 177.39 174.55 1sjm s THR 214 N -2.75 1.32 0.55 -5.08 2.01 -1.26 -5.11 115.64 105.31 1sjm s THR 214 Ca 0.00 -1.66 -0.20 0.00 0.31 0.00 0.00 61.69 60.14 1sjm s THR 214 Cb 0.00 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1sjm s THR 214 CO 0.00 -0.62 1.19 -2.16 -0.69 0.00 0.00 174.62 172.35 1sjm s PRO 215 N 1.40 3.25 0.17 4.92 0.04 -1.26 -4.91 135.00 138.60 1sjm s PRO 215 Ca 0.09 1.80 0.11 0.00 0.04 0.00 0.00 61.00 63.05 1sjm s PRO 215 Cb -0.18 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1sjm s PRO 215 CO -0.19 -0.98 1.29 1.79 0.04 0.00 0.00 177.00 178.95 1sjm h THR 216 N 1.23 1.26 -3.77 1.26 1.35 -1.42 -3.46 112.91 109.36 1sjm h THR 216 Ca -0.50 -2.82 -0.23 0.00 -0.55 0.00 0.00 66.41 62.31 1sjm h THR 216 Cb 1.28 2.61 -0.27 0.00 -1.73 0.00 0.00 68.15 70.04 1sjm h THR 216 CO 0.57 0.72 -0.72 -1.00 -0.25 0.00 0.00 175.52 174.84 1sjm s HIS 217 N -2.82 0.05 -0.16 4.73 3.76 -1.15 -4.85 115.29 114.86 1sjm s HIS 217 Ca 0.02 -0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 54.84 1sjm s HIS 217 Cb 0.09 -0.03 0.05 0.00 1.11 0.00 0.00 32.58 33.79 1sjm s HIS 217 CO 0.79 -0.02 0.02 0.08 -0.85 0.00 0.00 174.74 174.76 1sjm s VAL 218 N -0.18 0.55 0.10 -0.90 1.01 -0.25 -1.11 120.40 119.62 1sjm s VAL 218 Ca -0.02 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1sjm s VAL 218 Cb -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1sjm s VAL 218 CO -0.00 -0.07 -0.08 0.68 0.00 0.00 0.00 175.10 175.63 1sjm s VAL 219 N 1.86 0.81 -0.08 2.92 -7.23 -0.20 -0.68 120.40 117.80 1sjm s VAL 219 Ca 0.01 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1sjm s VAL 219 Cb -0.16 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1sjm s VAL 219 CO -0.07 -0.74 0.04 -0.36 -0.31 0.00 0.00 175.10 173.66 1sjm s PHE 220 N -3.09 3.27 -1.46 2.82 0.08 -1.26 -0.45 117.98 117.89 1sjm s PHE 220 Ca 0.09 0.27 -0.11 0.00 0.12 0.00 0.00 56.93 57.29 1sjm s PHE 220 Cb 0.02 -1.81 0.07 0.00 -0.57 0.00 0.00 43.02 40.73 1sjm s PHE 220 CO -0.02 0.54 0.76 -1.71 -0.10 0.00 0.00 175.22 174.69 1sjm n ASN 221 N 1.95 -4.65 0.00 1.36 4.05 -0.83 -3.07 115.26 114.05 1sjm n ASN 221 Ca -0.18 -0.58 0.00 0.00 0.45 0.00 0.00 54.58 54.27 1sjm n ASN 221 Cb 0.54 -3.76 0.00 0.00 1.23 0.00 0.00 39.78 37.79 1sjm n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sjm n GLY 222 N -1.49 1.45 3.50 8.20 0.00 -0.99 -4.79 105.19 111.07 1sjm n GLY 222 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1sjm n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm s ALA 223 N -3.14 -1.75 0.18 4.61 0.00 -1.18 -4.59 121.76 115.89 1sjm s ALA 223 Ca 0.00 1.09 -0.33 0.00 0.00 0.00 0.00 51.96 52.72 1sjm s ALA 223 Cb 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 23.12 23.17 1sjm s ALA 223 CO 0.00 -0.51 1.55 0.28 0.00 0.00 0.00 175.76 177.08 1sjm n VAL 224 N 0.39 0.17 -1.08 0.00 0.31 -0.01 -2.05 118.33 116.07 1sjm n VAL 224 Ca -0.16 -0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 1sjm n VAL 224 Cb 0.60 -1.55 -0.01 0.00 -0.91 0.00 0.00 33.84 31.97 1sjm n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sjm n GLY 225 N 3.20 0.50 0.30 2.92 0.00 -1.26 -4.79 105.19 106.05 1sjm n GLY 225 Ca 0.16 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.09 1sjm n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm h ALA 226 N 0.00 1.78 -1.42 4.61 0.00 -1.61 -2.82 119.26 119.79 1sjm h ALA 226 Ca -0.06 -0.02 -0.71 0.00 0.00 0.00 0.00 54.91 54.12 1sjm h ALA 226 Cb 0.56 -0.13 -0.33 0.00 0.00 0.00 0.00 17.79 17.89 1sjm h ALA 226 CO 0.08 0.21 0.34 1.28 0.00 0.00 0.00 179.25 181.16 1sjm n LEU 227 N -4.49 6.30 -4.22 0.00 4.77 -1.26 -4.73 117.00 113.37 1sjm n LEU 227 Ca 0.02 -5.23 -0.14 0.00 -0.03 0.00 0.00 56.01 50.63 1sjm n LEU 227 Cb 0.07 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.20 1sjm n LEU 227 CO 0.35 2.06 -0.21 0.42 -1.33 0.00 0.00 177.39 178.68 1sjm s THR 228 N -4.87 0.00 0.00 -5.08 -4.23 -1.06 -0.90 115.64 99.49 1sjm s THR 228 Ca 0.47 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1sjm s THR 228 Cb 0.33 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1sjm s THR 228 CO -0.24 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1sjm n GLY 229 N -0.35 3.10 0.00 3.99 0.00 -1.26 -1.44 105.19 109.23 1sjm n GLY 229 Ca 0.03 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1sjm n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sjm n ASP 230 N 4.69 0.00 -0.93 1.61 5.75 -1.26 -1.74 116.55 124.67 1sjm n ASP 230 Ca 0.00 0.11 0.08 0.00 -0.01 0.00 0.00 54.79 54.97 1sjm n ASP 230 Cb 0.00 -0.32 0.23 0.00 -1.03 0.00 0.00 41.12 40.00 1sjm n ASP 230 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sjm n LYS 231 N -1.32 2.96 -1.74 0.11 4.76 -0.52 -4.99 118.16 117.42 1sjm n LYS 231 Ca 0.07 -2.37 -0.39 0.00 -2.87 0.00 0.00 58.31 52.75 1sjm n LYS 231 Cb 0.15 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.89 1sjm n LYS 231 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sjm n ALA 232 N 0.70 1.64 -1.37 7.82 0.00 -0.71 -3.72 120.51 124.87 1sjm n ALA 232 Ca 0.17 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 1sjm n ALA 232 Cb 0.58 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.75 1sjm n ALA 232 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sjm s MET 233 N -2.70 2.48 0.07 0.00 -1.94 -0.47 -4.84 119.30 111.89 1sjm s MET 233 Ca 0.68 1.30 0.05 0.00 -1.71 0.00 0.00 55.69 56.01 1sjm s MET 233 Cb -0.43 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.46 1sjm s MET 233 CO 0.52 -1.49 -0.14 0.95 -0.01 0.00 0.00 175.02 174.85 1sjm s THR 234 N -2.61 1.13 0.39 2.05 -4.23 -1.26 -0.72 115.64 110.38 1sjm s THR 234 Ca 0.64 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.73 1sjm s THR 234 Cb -0.19 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.61 1sjm s THR 234 CO 0.49 -0.21 0.72 0.00 -0.54 0.00 0.00 174.62 175.08 1sjm s ALA 235 N -1.26 -0.32 0.09 3.99 0.00 -0.58 -4.93 121.76 118.75 1sjm s ALA 235 Ca -0.02 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1sjm s ALA 235 Cb -0.10 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1sjm s ALA 235 CO 0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 175.76 174.75 1sjm s ALA 236 N -2.33 1.02 0.17 0.00 0.00 -1.26 -1.83 121.76 117.53 1sjm s ALA 236 Ca 0.19 -1.16 -0.34 0.00 0.00 0.00 0.00 51.96 50.66 1sjm s ALA 236 Cb -0.04 0.05 -0.14 0.00 0.00 0.00 0.00 23.12 22.99 1sjm s ALA 236 CO 0.14 -0.07 1.50 0.28 0.00 0.00 0.00 175.76 177.61 1sjm n VAL 237 N 0.57 0.22 0.00 0.00 0.31 -0.15 -1.08 118.33 118.20 1sjm n VAL 237 Ca -0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1sjm n VAL 237 Cb 0.58 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1sjm n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sjm n GLY 238 N 2.99 2.04 3.74 2.92 0.00 0.57 -4.99 105.19 112.46 1sjm n GLY 238 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1sjm n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjm s GLU 239 N -0.63 4.77 -0.29 1.61 2.12 -0.24 -4.76 118.70 121.28 1sjm s GLU 239 Ca 0.00 1.44 -0.13 0.00 0.36 0.00 0.00 54.97 56.64 1sjm s GLU 239 Cb 0.00 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1sjm s GLU 239 CO 0.00 0.41 0.28 0.15 -0.54 0.00 0.00 175.26 175.55 1sjm s LYS 240 N -0.72 3.85 -0.09 4.30 1.02 -1.26 -1.67 119.74 125.18 1sjm s LYS 240 Ca 0.43 -0.27 0.04 0.00 0.02 0.00 0.00 55.97 56.19 1sjm s LYS 240 Cb -0.25 -3.70 -0.00 0.00 -0.52 0.00 0.00 37.83 33.36 1sjm s LYS 240 CO 0.30 -0.30 -0.23 0.08 -0.92 0.00 0.00 175.35 174.29 1sjm s VAL 241 N 1.89 1.94 -0.23 3.17 1.01 0.02 -0.27 120.40 127.94 1sjm s VAL 241 Ca 0.10 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1sjm s VAL 241 Cb -0.16 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 1sjm s VAL 241 CO 0.11 0.54 0.19 -0.22 0.00 0.00 0.00 175.10 175.71 1sjm s LEU 242 N 0.28 4.14 -0.33 3.92 2.96 -0.59 -1.36 118.68 127.70 1sjm s LEU 242 Ca -0.16 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1sjm s LEU 242 Cb -0.17 -2.16 0.06 0.00 0.50 0.00 0.00 46.19 44.42 1sjm s LEU 242 CO 0.07 0.07 0.07 -0.63 -1.32 0.00 0.00 176.35 174.62 1sjm s ILE 243 N 0.95 3.32 -0.01 6.68 1.01 0.55 -1.29 121.20 132.41 1sjm s ILE 243 Ca 0.09 -1.42 -0.23 0.00 0.00 0.00 0.00 60.65 59.09 1sjm s ILE 243 Cb -0.13 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1sjm s ILE 243 CO 0.04 -0.24 0.68 -0.69 0.00 0.00 0.00 174.94 174.72 1sjm s VAL 244 N 1.28 4.90 -0.04 2.92 1.01 -0.17 -1.41 120.40 128.90 1sjm s VAL 244 Ca -0.02 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.40 1sjm s VAL 244 Cb -0.20 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1sjm s VAL 244 CO -0.00 0.35 -0.06 -2.28 0.00 0.00 0.00 175.10 173.11 1sjm s HIS 245 N 0.15 0.80 0.16 5.22 2.46 -0.32 -0.36 115.29 123.40 1sjm s HIS 245 Ca 0.35 -0.22 0.07 0.00 0.47 0.00 0.00 55.06 55.73 1sjm s HIS 245 Cb -0.19 -0.67 -0.04 0.00 -0.13 0.00 0.00 32.58 31.55 1sjm s HIS 245 CO 0.19 -0.17 -0.16 -1.54 -2.47 0.00 0.00 174.74 170.59 1sjm s SER 246 N 0.72 2.41 -0.26 9.88 1.04 -0.81 -0.75 113.70 125.92 1sjm s SER 246 Ca -0.10 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.44 1sjm s SER 246 Cb -0.13 -0.12 0.14 0.00 0.10 0.00 0.00 66.02 66.01 1sjm s SER 246 CO 0.01 -0.10 0.38 -1.58 0.98 0.00 0.00 173.24 172.93 1sjm s GLN 247 N -2.91 0.36 0.30 4.02 -0.44 -0.76 -1.53 119.66 118.71 1sjm s GLN 247 Ca 0.14 0.41 0.26 0.00 -2.50 0.00 0.00 55.36 53.68 1sjm s GLN 247 Cb -0.04 -0.44 0.83 0.00 -1.64 0.00 0.00 33.01 31.72 1sjm s GLN 247 CO 0.05 -0.75 1.75 0.00 0.50 0.00 0.00 175.29 176.85 1sjm h ALA 248 N 8.18 1.00 0.00 1.58 0.00 -1.81 0.16 119.26 128.37 1sjm h ALA 248 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sjm h ALA 248 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1sjm h ALA 248 CO 0.27 0.00 -0.56 -1.71 0.00 0.00 0.00 179.25 177.25 1sjm n ASN 249 N -2.51 2.81 -3.73 0.00 5.15 -1.26 -3.01 115.26 112.70 1sjm n ASN 249 Ca 0.04 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.88 1sjm n ASN 249 Cb 0.38 0.50 -0.09 0.00 -0.53 0.00 0.00 39.78 40.04 1sjm n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1sjm s ARG 250 N -1.22 0.65 0.66 1.20 3.52 -1.26 -4.67 118.95 117.83 1sjm s ARG 250 Ca 0.00 0.07 -0.18 0.00 -0.13 0.00 0.00 55.73 55.49 1sjm s ARG 250 Cb 0.00 0.30 -0.00 0.00 -1.56 0.00 0.00 34.95 33.68 1sjm s ARG 250 CO 0.00 -0.16 1.27 -0.51 -0.81 0.00 0.00 175.30 175.09 1sjm s ASP 251 N -0.87 4.57 0.12 -2.12 -0.00 -1.26 -3.56 116.67 113.55 1sjm s ASP 251 Ca -0.09 2.56 -0.03 0.00 -0.00 0.00 0.00 52.55 54.98 1sjm s ASP 251 Cb -0.04 -2.61 -0.03 0.00 -0.00 0.00 0.00 42.92 40.24 1sjm s ASP 251 CO 0.04 -2.02 0.09 0.28 -0.00 0.00 0.00 175.17 173.56 1sjm s THR 252 N -1.52 0.11 -0.43 -1.27 -1.32 -0.46 -4.84 115.64 105.92 1sjm s THR 252 Ca 0.81 -1.77 0.04 0.00 -1.21 0.00 0.00 61.69 59.56 1sjm s THR 252 Cb -0.35 -1.90 0.17 0.00 -1.51 0.00 0.00 72.50 68.91 1sjm s THR 252 CO 0.40 -0.52 0.35 0.00 -2.21 0.00 0.00 174.62 172.64 1sjm s ARG 253 N -4.01 1.03 0.61 7.08 1.70 -1.26 -1.35 118.95 122.75 1sjm s ARG 253 Ca 0.19 -2.21 -0.18 0.00 -0.47 0.00 0.00 55.73 53.07 1sjm s ARG 253 Cb 0.07 -1.58 -0.03 0.00 -0.57 0.00 0.00 34.95 32.84 1sjm s ARG 253 CO -0.01 -1.38 1.20 -2.14 -1.08 0.00 0.00 175.30 171.89 1sjm s PRO 254 N -0.06 2.91 -0.23 3.89 0.02 -1.04 -0.80 135.00 139.69 1sjm s PRO 254 Ca 0.32 1.80 -0.16 0.00 0.02 0.00 0.00 61.00 62.98 1sjm s PRO 254 Cb 0.03 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.69 1sjm s PRO 254 CO -0.19 -1.25 0.59 -1.58 -0.33 0.00 0.00 177.00 174.24 1sjm s HIS 255 N -1.66 -0.82 -0.45 6.54 2.46 -0.16 -1.66 115.29 119.54 1sjm s HIS 255 Ca 0.77 1.75 -0.16 0.00 0.47 0.00 0.00 55.06 57.88 1sjm s HIS 255 Cb -0.30 0.41 0.05 0.00 -0.13 0.00 0.00 32.58 32.61 1sjm s HIS 255 CO 0.34 -0.41 0.42 -1.17 -2.47 0.00 0.00 174.74 171.45 1sjm s LEU 256 N 1.15 5.21 -0.18 8.88 2.96 -1.26 -0.99 118.68 134.45 1sjm s LEU 256 Ca -0.07 -1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 52.56 1sjm s LEU 256 Cb -0.06 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1sjm s LEU 256 CO -0.11 -0.62 1.47 -0.63 -1.32 0.00 0.00 176.35 175.13 1sjm s ILE 257 N 1.94 3.91 0.00 6.68 1.01 0.12 -1.16 121.20 133.70 1sjm s ILE 257 Ca 0.08 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1sjm s ILE 257 Cb -0.20 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1sjm s ILE 257 CO 0.10 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.43 1sjm n GLY 258 N 4.17 0.55 0.00 6.18 0.00 -1.26 -3.80 105.19 111.02 1sjm n GLY 258 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1sjm n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjm n GLY 259 N -2.00 6.15 3.59 -0.02 0.00 -0.31 -5.00 105.19 107.61 1sjm n GLY 259 Ca 0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 1sjm n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sjm s HIS 260 N 0.55 0.52 -0.47 1.61 0.09 -1.26 -4.72 115.29 111.61 1sjm s HIS 260 Ca 0.00 -0.88 -0.12 0.00 -0.00 0.00 0.00 55.06 54.06 1sjm s HIS 260 Cb 0.00 0.20 0.10 0.00 -0.00 0.00 0.00 32.58 32.88 1sjm s HIS 260 CO 0.00 -1.11 0.36 0.20 -0.00 0.00 0.00 174.74 174.19 1sjm s GLY 261 N -3.08 2.03 0.17 -2.22 0.00 -0.20 -4.74 107.32 99.27 1sjm s GLY 261 Ca 0.24 -2.31 -0.13 0.00 0.00 0.00 0.00 44.72 42.51 1sjm s GLY 261 CO 0.12 1.07 1.78 -0.55 0.00 0.00 0.00 173.10 175.53 1sjm h ASP 262 N 8.60 0.69 -3.41 1.64 3.32 -1.40 -0.11 116.42 125.75 1sjm h ASP 262 Ca -0.25 -0.09 -0.47 0.00 0.02 0.00 0.00 57.03 56.24 1sjm h ASP 262 Cb 1.09 -0.17 -0.34 0.00 0.22 0.00 0.00 39.33 40.13 1sjm h ASP 262 CO 0.87 0.58 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.86 1sjm s TYR 263 N -5.86 1.15 -0.13 4.55 1.51 -0.94 -1.83 117.35 115.80 1sjm s TYR 263 Ca -0.13 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1sjm s TYR 263 Cb 0.12 -0.91 0.04 0.00 -0.11 0.00 0.00 41.96 41.10 1sjm s TYR 263 CO 0.76 -0.26 -0.03 0.08 -1.11 0.00 0.00 175.55 174.99 1sjm s VAL 264 N 0.89 0.79 -1.13 0.71 1.01 0.51 -0.33 120.40 122.85 1sjm s VAL 264 Ca -0.11 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1sjm s VAL 264 Cb -0.15 -0.99 0.11 0.00 0.00 0.00 0.00 36.38 35.35 1sjm s VAL 264 CO 0.01 0.15 1.45 0.26 0.00 0.00 0.00 175.10 176.97 1sjm s TRP 265 N 1.78 3.00 0.35 5.22 0.51 -0.01 -0.70 118.94 129.09 1sjm s TRP 265 Ca 0.02 -1.54 0.14 0.00 -2.12 0.00 0.00 56.10 52.60 1sjm s TRP 265 Cb -0.14 -4.51 0.74 0.00 -0.81 0.00 0.00 33.47 28.74 1sjm s TRP 265 CO -0.07 -1.65 1.82 0.00 -0.51 0.00 0.00 176.95 176.54 1sjm h ALA 266 N 8.24 1.32 0.00 0.98 0.00 -1.90 -0.19 119.26 127.71 1sjm h ALA 266 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sjm h ALA 266 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1sjm h ALA 266 CO 1.31 0.47 -0.12 0.25 0.00 0.00 0.00 179.25 181.16 1sjm n THR 267 N -4.00 0.02 -0.90 0.00 -2.24 -1.26 -4.54 114.28 101.37 1sjm n THR 267 Ca -0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1sjm n THR 267 Cb 0.42 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1sjm n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjm n GLY 268 N 1.49 0.87 3.36 3.38 0.00 -0.12 -4.75 105.19 109.42 1sjm n GLY 268 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1sjm n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjm s LYS 269 N -0.10 3.46 0.40 1.61 -0.14 -1.26 -0.42 119.74 123.29 1sjm s LYS 269 Ca 0.00 -0.60 0.28 0.00 -1.36 0.00 0.00 55.97 54.29 1sjm s LYS 269 Cb 0.00 -2.98 0.97 0.00 -1.68 0.00 0.00 37.83 34.14 1sjm s LYS 269 CO 0.00 -0.07 1.81 0.74 -0.76 0.00 0.00 175.35 177.06 1sjm h PHE 270 N 7.72 0.00 -0.00 3.18 0.05 -1.78 -2.00 116.94 124.11 1sjm h PHE 270 Ca -0.38 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.41 1sjm h PHE 270 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 1sjm h PHE 270 CO 0.58 0.00 -0.13 0.09 -0.18 0.00 0.00 178.31 178.67 1sjm n ASN 271 N -2.75 0.30 -4.56 2.17 3.02 -1.26 -4.61 115.26 107.57 1sjm n ASN 271 Ca 0.02 -0.21 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 1sjm n ASN 271 Cb 0.35 -0.15 -0.08 0.00 -0.61 0.00 0.00 39.78 39.29 1sjm n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1sjm s THR 272 N -2.69 5.02 0.37 3.41 2.01 -0.75 -5.04 115.64 117.96 1sjm s THR 272 Ca 0.23 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.32 1sjm s THR 272 Cb 0.19 -3.96 -0.12 0.00 0.01 0.00 0.00 72.50 68.63 1sjm s THR 272 CO 0.52 -0.21 1.16 -2.65 -0.69 0.00 0.00 174.62 172.75 1sjm n PRO 273 N 5.74 1.72 -2.38 4.92 -0.02 -1.26 -4.83 135.00 138.90 1sjm n PRO 273 Ca -0.05 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 1sjm n PRO 273 Cb 0.49 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1sjm n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1sjm s PRO 274 N -1.93 3.83 0.76 0.52 0.04 -1.26 -4.92 135.00 132.04 1sjm s PRO 274 Ca 0.59 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 1sjm s PRO 274 Cb -0.58 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 31.65 1sjm s PRO 274 CO 0.59 -0.45 1.09 -0.51 0.04 0.00 0.00 177.00 177.76 1sjm s ASP 275 N -1.55 4.65 0.14 6.66 1.01 0.12 -4.77 116.67 122.94 1sjm s ASP 275 Ca 0.63 1.81 0.06 0.00 0.71 0.00 0.00 52.55 55.76 1sjm s ASP 275 Cb -0.25 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1sjm s ASP 275 CO 0.30 -1.94 -0.14 0.68 0.21 0.00 0.00 175.17 174.29 1sjm s VAL 276 N -2.89 1.36 -1.58 -1.27 -7.23 -1.26 -0.36 120.40 107.17 1sjm s VAL 276 Ca 0.61 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1sjm s VAL 276 Cb -0.17 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1sjm s VAL 276 CO 0.55 -0.48 0.43 0.47 -0.31 0.00 0.00 175.10 175.76 1sjm n ASP 277 N 0.33 -5.97 -4.76 4.85 10.43 -0.76 -4.92 116.55 115.75 1sjm n ASP 277 Ca -0.14 -0.21 -0.40 0.00 2.57 0.00 0.00 54.79 56.61 1sjm n ASP 277 Cb 0.58 -4.84 -0.05 0.00 1.84 0.00 0.00 41.12 38.65 1sjm n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1sjm s GLN 278 N -5.49 4.68 -0.17 -1.24 -1.52 -0.07 -4.84 119.66 111.01 1sjm s GLN 278 Ca 0.21 1.75 -0.22 0.00 -1.95 0.00 0.00 55.36 55.15 1sjm s GLN 278 Cb -0.09 -3.21 -0.22 0.00 -0.22 0.00 0.00 33.01 29.26 1sjm s GLN 278 CO 0.26 0.26 0.42 1.05 -0.25 0.00 0.00 175.29 177.03 1sjm h GLU 279 N 3.93 0.05 -3.10 2.91 4.11 -1.91 -0.51 114.58 120.05 1sjm h GLU 279 Ca -0.46 -0.09 -0.23 0.00 0.07 0.00 0.00 59.36 58.65 1sjm h GLU 279 Cb 1.21 0.03 -0.32 0.00 0.50 0.00 0.00 28.75 30.18 1sjm h GLU 279 CO 0.67 1.04 -0.55 0.99 0.07 0.00 0.00 179.01 181.23 1sjm s THR 280 N -2.35 -0.12 0.47 -1.06 2.01 -1.26 -4.38 115.64 108.96 1sjm s THR 280 Ca -0.25 0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.03 1sjm s THR 280 Cb 0.03 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1sjm s THR 280 CO 0.65 0.08 0.35 -1.66 -0.69 0.00 0.00 174.62 173.36 1sjm s TRP 281 N 1.50 2.21 -0.05 4.92 -2.14 -0.66 -4.97 118.94 119.75 1sjm s TRP 281 Ca -0.06 -0.66 -0.00 0.00 2.66 0.00 0.00 56.10 58.03 1sjm s TRP 281 Cb -0.11 -2.02 0.03 0.00 -3.10 0.00 0.00 33.47 28.26 1sjm s TRP 281 CO -0.07 -0.22 -0.01 0.12 -2.66 0.00 0.00 176.95 174.10 1sjm s PHE 282 N -2.63 0.58 -0.20 1.66 5.36 -1.26 -2.51 117.98 118.99 1sjm s PHE 282 Ca 0.41 -0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.27 1sjm s PHE 282 Cb -0.01 -0.63 0.03 0.00 -0.34 0.00 0.00 43.02 42.07 1sjm s PHE 282 CO 0.24 -0.22 -0.15 0.42 -1.46 0.00 0.00 175.22 174.05 1sjm s ILE 283 N 1.34 1.90 0.51 3.12 1.01 -0.46 -4.73 121.20 123.90 1sjm s ILE 283 Ca -0.05 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 1sjm s ILE 283 Cb -0.13 -1.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.42 1sjm s ILE 283 CO -0.02 0.32 1.07 -2.16 0.00 0.00 0.00 174.94 174.15 1sjm s PRO 284 N 1.31 3.60 0.21 2.79 0.04 -1.26 -1.35 135.00 140.34 1sjm s PRO 284 Ca 0.01 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.18 1sjm s PRO 284 Cb -0.15 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.19 1sjm s PRO 284 CO -0.10 -0.61 1.30 0.41 0.04 0.00 0.00 177.00 178.04 1sjm n GLY 285 N -0.14 0.46 1.00 0.56 0.00 -1.23 -2.11 105.19 103.73 1sjm n GLY 285 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1sjm n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjm n GLY 286 N 2.08 0.69 3.27 -0.02 0.00 0.53 -4.74 105.19 107.00 1sjm n GLY 286 Ca 0.13 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1sjm n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm s ALA 287 N -2.00 -0.02 0.16 4.61 0.00 -0.90 -4.76 121.76 118.86 1sjm s ALA 287 Ca 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.22 1sjm s ALA 287 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1sjm s ALA 287 CO 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 175.76 175.04 1sjm s ALA 288 N -3.93 2.82 0.28 0.00 0.00 -1.26 -1.83 121.76 117.84 1sjm s ALA 288 Ca 0.13 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.67 1sjm s ALA 288 Cb 0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1sjm s ALA 288 CO -0.04 0.51 0.12 0.20 0.00 0.00 0.00 175.76 176.55 1sjm s GLY 289 N -2.56 1.89 -0.08 0.00 0.00 0.07 -3.05 107.32 103.58 1sjm s GLY 289 Ca 0.22 -1.81 -0.07 0.00 0.00 0.00 0.00 44.72 43.06 1sjm s GLY 289 CO 0.13 -1.61 0.21 0.00 0.00 0.00 0.00 173.10 171.83 1sjm s ALA 290 N -3.67 -0.51 -0.03 3.20 0.00 -0.95 -1.18 121.76 118.62 1sjm s ALA 290 Ca 0.36 0.64 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1sjm s ALA 290 Cb 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1sjm s ALA 290 CO 0.15 -0.11 -0.17 0.00 0.00 0.00 0.00 175.76 175.63 1sjm s ALA 291 N 0.30 1.47 -0.15 0.00 0.00 -0.50 -0.83 121.76 122.06 1sjm s ALA 291 Ca -0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1sjm s ALA 291 Cb -0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1sjm s ALA 291 CO -0.01 0.30 -0.08 0.12 0.00 0.00 0.00 175.76 176.08 1sjm s PHE 292 N -0.11 2.91 -0.02 0.00 2.19 0.55 -0.33 117.98 123.17 1sjm s PHE 292 Ca -0.00 -0.57 -0.02 0.00 0.33 0.00 0.00 56.93 56.67 1sjm s PHE 292 Cb -0.10 -1.93 0.01 0.00 -1.31 0.00 0.00 43.02 39.70 1sjm s PHE 292 CO 0.01 -0.21 0.05 -0.47 1.83 0.00 0.00 175.22 176.44 1sjm s TYR 293 N 0.54 -0.05 -0.34 10.12 5.04 -0.46 -1.08 117.35 131.12 1sjm s TYR 293 Ca -0.06 0.15 -0.13 0.00 -2.44 0.00 0.00 57.07 54.59 1sjm s TYR 293 Cb -0.15 -0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.13 1sjm s TYR 293 CO 0.03 -0.04 0.27 0.99 -1.34 0.00 0.00 175.55 175.46 1sjm s THR 294 N 0.20 5.26 0.35 4.34 2.01 -1.26 -0.80 115.64 125.73 1sjm s THR 294 Ca -0.01 -0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.56 1sjm s THR 294 Cb -0.02 -3.73 -0.11 0.00 0.01 0.00 0.00 72.50 68.65 1sjm s THR 294 CO -0.01 -0.02 1.38 -0.36 -0.69 0.00 0.00 174.62 174.92 1sjm s PHE 295 N 1.79 2.88 0.00 4.92 0.40 -0.67 -4.87 117.98 122.42 1sjm s PHE 295 Ca 0.07 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.72 1sjm s PHE 295 Cb -0.17 -3.81 0.00 0.00 0.51 0.00 0.00 43.02 39.55 1sjm s PHE 295 CO 0.11 -2.29 0.00 1.04 0.70 0.00 0.00 175.22 174.78 1sjm n GLN 296 N 0.70 3.78 -4.32 0.44 1.13 -1.26 -0.32 117.38 117.54 1sjm n GLN 296 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1sjm n GLN 296 Cb 0.41 -0.62 -0.14 0.00 0.11 0.00 0.00 30.24 30.00 1sjm n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1sjm s GLN 297 N -1.16 0.75 0.81 -1.09 -1.52 -1.26 -4.68 119.66 111.51 1sjm s GLN 297 Ca 0.00 -0.50 -0.11 0.00 -1.95 0.00 0.00 55.36 52.79 1sjm s GLN 297 Cb 0.00 -0.71 0.09 0.00 -0.22 0.00 0.00 33.01 32.17 1sjm s GLN 297 CO 0.00 0.18 1.17 -1.25 -0.25 0.00 0.00 175.29 175.14 1sjm s PRO 298 N -0.66 1.86 0.00 2.91 0.04 -1.26 -4.77 135.00 133.12 1sjm s PRO 298 Ca 0.01 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1sjm s PRO 298 Cb -0.06 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1sjm s PRO 298 CO 0.00 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 175.83 1sjm n GLY 299 N -3.30 0.04 3.75 0.56 0.00 0.19 -4.94 105.19 101.50 1sjm n GLY 299 Ca 0.09 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 1sjm n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjm s ILE 300 N 0.00 5.19 0.17 -0.61 -1.09 -1.26 -1.02 121.20 122.59 1sjm s ILE 300 Ca 0.00 0.80 0.10 0.00 -2.23 0.00 0.00 60.65 59.31 1sjm s ILE 300 Cb 0.00 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1sjm s ILE 300 CO 0.00 0.40 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.65 1sjm s TYR 301 N 0.19 2.52 -0.08 3.97 1.51 -0.20 -4.98 117.35 120.27 1sjm s TYR 301 Ca 0.22 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1sjm s TYR 301 Cb -0.15 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1sjm s TYR 301 CO 0.09 0.49 -0.05 0.00 -1.11 0.00 0.00 175.55 174.97 1sjm s ALA 302 N -1.60 3.04 -0.21 3.71 0.00 -1.25 -1.01 121.76 124.45 1sjm s ALA 302 Ca 0.22 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 1sjm s ALA 302 Cb -0.09 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1sjm s ALA 302 CO 0.13 0.53 -0.09 -0.47 0.00 0.00 0.00 175.76 175.85 1sjm s TYR 303 N -0.66 2.90 0.10 0.00 5.04 0.36 0.15 117.35 125.24 1sjm s TYR 303 Ca 0.10 -1.14 0.02 0.00 -2.44 0.00 0.00 57.07 53.61 1sjm s TYR 303 Cb -0.12 -2.05 -0.04 0.00 0.35 0.00 0.00 41.96 40.11 1sjm s TYR 303 CO 0.02 -0.62 -0.06 0.14 -1.34 0.00 0.00 175.55 173.70 1sjm s VAL 304 N 1.40 0.66 -0.24 3.14 -7.23 -0.16 -0.48 120.40 117.48 1sjm s VAL 304 Ca 0.05 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 1sjm s VAL 304 Cb -0.14 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.10 1sjm s VAL 304 CO -0.06 -0.85 1.03 0.21 -0.31 0.00 0.00 175.10 175.12 1sjm s ASN 305 N -3.05 7.05 -0.13 4.85 3.84 -1.03 -0.99 114.94 125.48 1sjm s ASN 305 Ca 0.13 1.30 0.02 0.00 0.21 0.00 0.00 52.86 54.52 1sjm s ASN 305 Cb 0.06 -2.53 0.24 0.00 -0.55 0.00 0.00 41.25 38.46 1sjm s ASN 305 CO -0.04 -0.69 1.20 1.57 -2.79 0.00 0.00 177.10 176.34 1sjm n HIS 306 N 6.38 0.94 -2.72 0.43 -0.00 0.02 -3.72 115.22 116.55 1sjm n HIS 306 Ca 0.11 -0.75 -0.42 0.00 -0.00 0.00 0.00 57.72 56.66 1sjm n HIS 306 Cb 0.46 -0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 30.00 1sjm n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1sjm s ASN 307 N 0.09 6.34 0.57 0.26 3.84 -1.26 -4.92 114.94 119.86 1sjm s ASN 307 Ca 0.19 -0.25 0.35 0.00 0.21 0.00 0.00 52.86 53.36 1sjm s ASN 307 Cb 0.16 -2.49 1.63 0.00 -0.55 0.00 0.00 41.25 39.99 1sjm s ASN 307 CO 0.04 -1.40 2.09 -0.07 -2.79 0.00 0.00 177.10 174.97 1sjm h LEU 308 N 11.57 0.00 -0.16 3.21 3.38 -1.99 -0.13 115.31 131.19 1sjm h LEU 308 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1sjm h LEU 308 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1sjm h LEU 308 CO 1.15 0.03 -0.02 0.40 0.09 0.00 0.00 178.44 180.10 1sjm h ILE 309 N 0.00 1.27 -0.75 1.22 2.04 -1.91 -0.60 117.51 118.78 1sjm h ILE 309 Ca -0.00 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1sjm h ILE 309 Cb 0.37 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1sjm h ILE 309 CO 0.00 0.27 0.49 -0.33 0.00 0.00 0.00 178.15 178.59 1sjm h GLU 310 N 0.02 0.97 0.22 2.37 5.08 -1.43 0.13 114.58 121.94 1sjm h GLU 310 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1sjm h GLU 310 Cb 0.42 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1sjm h GLU 310 CO 0.01 0.64 -0.11 0.00 -1.00 0.00 0.00 179.01 178.56 1sjm h ALA 311 N 1.28 -0.30 0.00 3.43 0.00 -1.01 -1.57 119.26 121.09 1sjm h ALA 311 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sjm h ALA 311 Cb -0.09 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sjm h ALA 311 CO -0.07 -0.60 -1.47 1.19 0.00 0.00 0.00 179.25 178.31 1sjm n PHE 312 N -5.16 0.00 -0.10 0.00 3.01 -0.24 -2.00 117.46 112.98 1sjm n PHE 312 Ca -0.09 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.18 1sjm n PHE 312 Cb 0.19 -0.26 -0.12 0.00 -0.01 0.00 0.00 39.48 39.27 1sjm n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1sjm n GLU 313 N -1.87 0.67 -0.00 -1.08 -0.58 -0.05 -4.73 120.64 113.00 1sjm n GLU 313 Ca -0.02 0.18 0.10 0.00 -0.42 0.00 0.00 57.16 57.01 1sjm n GLU 313 Cb 0.33 -1.56 -0.11 0.00 -0.57 0.00 0.00 31.44 29.53 1sjm n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1sjm n LEU 314 N -3.34 0.79 0.00 -4.62 4.77 -0.72 -5.00 117.00 108.87 1sjm n LEU 314 Ca -0.43 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1sjm n LEU 314 Cb 1.00 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1sjm n LEU 314 CO 0.29 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1sjm n GLY 315 N 1.45 0.84 2.70 -0.72 0.00 -0.77 -1.09 105.19 107.59 1sjm n GLY 315 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1sjm n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjm n ALA 316 N 0.00 6.02 -3.73 4.61 0.00 0.14 -4.31 120.51 123.24 1sjm n ALA 316 Ca 0.00 -4.28 -0.14 0.00 0.00 0.00 0.00 53.44 49.03 1sjm n ALA 316 Cb 0.00 -2.79 -0.14 0.00 0.00 0.00 0.00 19.45 16.52 1sjm n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjm s ALA 317 N -0.82 -0.33 0.35 0.00 0.00 -1.24 -2.47 121.76 117.24 1sjm s ALA 317 Ca 0.45 0.75 0.09 0.00 0.00 0.00 0.00 51.96 53.25 1sjm s ALA 317 Cb 0.14 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 1sjm s ALA 317 CO -0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 175.76 175.45 1sjm s ALA 318 N 1.40 3.09 0.11 0.00 0.00 0.36 -4.47 121.76 122.26 1sjm s ALA 318 Ca -0.07 -2.05 0.10 0.00 0.00 0.00 0.00 51.96 49.95 1sjm s ALA 318 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1sjm s ALA 318 CO -0.07 0.06 -0.26 -1.01 0.00 0.00 0.00 175.76 174.48 1sjm s HIS 319 N -2.57 2.23 -0.06 0.00 3.76 -0.08 -0.49 115.29 118.08 1sjm s HIS 319 Ca 0.34 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 1sjm s HIS 319 Cb 0.02 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.46 1sjm s HIS 319 CO 0.18 0.29 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.17 1sjm s PHE 320 N -1.04 2.73 -0.21 1.40 0.08 -0.18 -1.37 117.98 119.38 1sjm s PHE 320 Ca 0.13 -0.18 -0.07 0.00 0.12 0.00 0.00 56.93 56.93 1sjm s PHE 320 Cb -0.10 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1sjm s PHE 320 CO 0.05 0.17 0.07 0.15 -0.10 0.00 0.00 175.22 175.56 1sjm s LYS 321 N -0.65 3.82 -0.13 0.44 1.02 0.10 -1.04 119.74 123.29 1sjm s LYS 321 Ca 0.10 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1sjm s LYS 321 Cb -0.11 -3.27 0.02 0.00 -0.52 0.00 0.00 37.83 33.95 1sjm s LYS 321 CO 0.01 0.05 -0.14 0.08 -0.92 0.00 0.00 175.35 174.43 1sjm s VAL 322 N 0.97 1.50 0.52 3.17 1.01 -0.19 -1.53 120.40 125.86 1sjm s VAL 322 Ca 0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 1sjm s VAL 322 Cb -0.14 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1sjm s VAL 322 CO 0.03 0.45 0.86 0.42 0.00 0.00 0.00 175.10 176.85 1sjm s THR 323 N 1.32 4.85 -1.96 3.92 -4.23 -0.76 -0.63 115.64 118.14 1sjm s THR 323 Ca 0.01 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 1sjm s THR 323 Cb -0.14 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.84 1sjm s THR 323 CO -0.07 -0.93 0.00 0.61 -0.54 0.00 0.00 174.62 173.69 1sjm n GLY 324 N -2.37 0.52 3.75 3.99 0.00 -1.26 -0.98 105.19 108.85 1sjm n GLY 324 Ca 0.02 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 1sjm n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjm s GLU 325 N -0.79 4.15 0.36 1.61 2.02 -1.26 -4.65 118.70 120.15 1sjm s GLU 325 Ca 0.00 0.16 -0.28 0.00 0.02 0.00 0.00 54.97 54.87 1sjm s GLU 325 Cb 0.00 -3.38 -0.10 0.00 0.10 0.00 0.00 34.13 30.75 1sjm s GLU 325 CO 0.00 0.34 1.32 -0.46 0.02 0.00 0.00 175.26 176.48 1sjm s TRP 326 N 0.14 2.91 -0.41 1.61 -0.11 -1.26 -4.45 118.94 117.38 1sjm s TRP 326 Ca 0.18 1.39 -0.03 0.00 1.22 0.00 0.00 56.10 58.86 1sjm s TRP 326 Cb -0.14 -3.71 0.11 0.00 -1.50 0.00 0.00 33.47 28.23 1sjm s TRP 326 CO 0.06 -2.05 0.21 1.21 -4.62 0.00 0.00 176.95 171.75 1sjm s ASN 327 N -0.55 5.28 0.37 5.86 3.84 -1.26 -4.96 114.94 123.51 1sjm s ASN 327 Ca 0.52 -1.99 0.27 0.00 0.21 0.00 0.00 52.86 51.87 1sjm s ASN 327 Cb -0.40 -1.84 0.94 0.00 -0.55 0.00 0.00 41.25 39.40 1sjm s ASN 327 CO 0.52 -0.54 1.79 0.44 -2.79 0.00 0.00 177.10 176.52 1sjm h ASP 328 N 8.08 0.00 -0.11 -4.21 5.19 -1.95 -2.37 116.42 121.05 1sjm h ASP 328 Ca -0.14 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1sjm h ASP 328 Cb 1.05 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 1sjm h ASP 328 CO 0.70 0.00 0.03 -0.78 -3.12 0.00 0.00 179.24 176.07 1sjm h ASP 329 N 0.00 0.16 -0.61 6.45 -0.00 -2.02 -3.22 116.42 117.18 1sjm h ASP 329 Ca 0.00 -0.23 -0.10 0.00 -0.00 0.00 0.00 57.03 56.70 1sjm h ASP 329 Cb 0.61 -0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.88 1sjm h ASP 329 CO 0.00 0.35 -0.01 -0.07 -0.00 0.00 0.00 179.24 179.51 1sjm h LEU 330 N -0.04 1.06 -7.00 2.28 3.38 -1.95 -3.45 115.31 109.60 1sjm h LEU 330 Ca 0.03 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1sjm h LEU 330 Cb 0.25 -0.29 -0.21 0.00 0.09 0.00 0.00 40.66 40.50 1sjm h LEU 330 CO 0.00 1.12 0.09 -0.32 0.09 0.00 0.00 178.44 179.42 1sjm s MET 331 N -5.01 0.76 -0.06 1.13 0.00 -0.91 -5.14 119.30 110.08 1sjm s MET 331 Ca -0.12 1.09 -0.11 0.00 0.00 0.00 0.00 55.69 56.55 1sjm s MET 331 Cb 0.14 0.27 0.02 0.00 0.00 0.00 0.00 34.83 35.26 1sjm s MET 331 CO 0.86 -0.12 0.28 -0.08 0.00 0.00 0.00 175.02 175.95 1sjm s THR 332 N 0.99 0.03 -0.70 10.11 -1.32 -1.25 -3.96 115.64 119.54 1sjm s THR 332 Ca -0.05 -0.28 -0.24 0.00 -1.21 0.00 0.00 61.69 59.91 1sjm s THR 332 Cb -0.05 -0.49 0.05 0.00 -1.51 0.00 0.00 72.50 70.50 1sjm s THR 332 CO -0.09 -0.16 1.10 -0.55 -2.21 0.00 0.00 174.62 172.71 1sjm s SER 333 N -0.64 6.17 0.19 8.08 0.15 -1.26 -4.88 113.70 121.52 1sjm s SER 333 Ca -0.07 -0.78 -0.07 0.00 0.70 0.00 0.00 55.95 55.73 1sjm s SER 333 Cb -0.04 -2.48 0.12 0.00 -1.71 0.00 0.00 66.02 61.91 1sjm s SER 333 CO 0.02 -1.61 1.61 0.58 1.20 0.00 0.00 173.24 175.05 1sjm h VAL 334 N 6.00 1.27 -3.21 4.45 2.07 -2.01 -3.40 116.25 121.41 1sjm h VAL 334 Ca -0.28 -1.31 -0.41 0.00 0.82 0.00 0.00 66.70 65.52 1sjm h VAL 334 Cb 1.06 1.10 -0.40 0.00 -1.52 0.00 0.00 31.29 31.54 1sjm h VAL 334 CO 1.22 0.45 -0.75 -0.22 0.02 0.00 0.00 177.57 178.30 1sjm s LEU 335 N -9.03 0.28 0.68 2.57 2.96 -1.26 -5.14 118.68 109.74 1sjm s LEU 335 Ca -0.10 -0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 53.43 1sjm s LEU 335 Cb 0.13 -0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.62 1sjm s LEU 335 CO 0.85 -0.29 1.15 0.00 -1.32 0.00 0.00 176.35 176.75 1sjm s ALA 336 N 2.13 2.32 -0.23 5.97 0.00 -1.26 -4.87 121.76 125.83 1sjm s ALA 336 Ca 0.04 0.71 -0.42 0.00 0.00 0.00 0.00 51.96 52.29 1sjm s ALA 336 Cb -0.14 -3.39 -0.18 0.00 0.00 0.00 0.00 23.12 19.42 1sjm s ALA 336 CO -0.06 -1.52 1.50 -2.30 0.00 0.00 0.00 175.76 173.38 1sjm n PRO 337 N -2.50 0.58 -3.51 0.00 -0.02 -1.26 -4.91 135.00 123.38 1sjm n PRO 337 Ca 0.12 0.21 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 1sjm n PRO 337 Cb 0.51 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1sjm n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sjm s SER 338 N 2.13 -0.50 0.00 2.55 1.04 -1.26 -5.29 113.70 112.37 1sjm s SER 338 Ca 0.96 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1sjm s SER 338 Cb -1.22 0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1sjm s SER 338 CO 0.66 -1.04 0.48 0.61 0.98 0.00 0.00 173.24 174.93