#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 3.19 0.27 0.00 -4.23 -1.26 -4.88 115.64 108.72 1sjm s THR 5 Ca 0.00 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1sjm s THR 5 Cb 0.00 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.74 1sjm s THR 5 CO 0.00 -0.45 1.86 0.00 -0.54 0.00 0.00 174.62 175.49 1sjm h ALA 6 N -0.63 1.39 -0.39 3.99 0.00 -2.05 -1.10 119.26 120.46 1sjm h ALA 6 Ca -0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1sjm h ALA 6 Cb 1.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1sjm h ALA 6 CO 0.63 0.35 -0.01 0.00 0.00 0.00 0.00 179.25 180.22 1sjm h ALA 7 N 1.47 0.53 -0.80 0.00 0.00 -1.99 -1.49 119.26 116.98 1sjm h ALA 7 Ca 0.44 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1sjm h ALA 7 Cb 0.26 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1sjm h ALA 7 CO -0.20 0.32 0.52 0.93 0.00 0.00 0.00 179.25 180.82 1sjm h GLU 8 N 0.52 1.07 -0.44 0.00 5.08 -1.79 -2.41 114.58 116.61 1sjm h GLU 8 Ca 0.11 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1sjm h GLU 8 Cb 0.49 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1sjm h GLU 8 CO 0.02 0.72 -0.15 0.82 -1.00 0.00 0.00 179.01 179.42 1sjm h ILE 9 N 1.09 1.26 0.00 3.13 2.04 -1.07 -2.76 117.51 121.20 1sjm h ILE 9 Ca 0.29 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1sjm h ILE 9 Cb -0.11 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1sjm h ILE 9 CO -0.06 0.42 -0.12 0.00 0.00 0.00 0.00 178.15 178.39 1sjm h ALA 10 N 1.10 1.42 0.00 1.87 0.00 -0.81 -2.26 119.26 120.58 1sjm h ALA 10 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sjm h ALA 10 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1sjm h ALA 10 CO 0.05 0.15 -0.26 0.00 0.00 0.00 0.00 179.25 179.19 1sjm n ALA 11 N -2.34 2.85 -1.78 0.00 0.00 -0.95 -4.92 120.51 113.37 1sjm n ALA 11 Ca -0.02 -0.20 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 1sjm n ALA 11 Cb 0.22 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.28 3.78 0.51 0.00 1.43 -0.85 -4.99 118.68 115.27 1sjm s LEU 12 Ca 0.12 2.16 -0.23 0.00 -1.03 0.00 0.00 54.13 55.15 1sjm s LEU 12 Cb 0.17 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.77 1sjm s LEU 12 CO 0.62 -1.15 1.31 -2.16 0.23 0.00 0.00 176.35 175.20 1sjm s PRO 13 N -3.24 3.40 -0.07 1.29 0.04 -1.26 -4.76 135.00 130.39 1sjm s PRO 13 Ca 0.72 2.13 -0.04 0.00 0.04 0.00 0.00 61.00 63.84 1sjm s PRO 13 Cb -0.23 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1sjm s PRO 13 CO 0.27 -0.95 0.11 1.03 0.04 0.00 0.00 177.00 177.50 1sjm s ARG 14 N -2.77 3.29 -0.09 4.56 3.00 -1.26 -1.14 118.95 124.55 1sjm s ARG 14 Ca 0.68 -0.28 -0.00 0.00 0.00 0.00 0.00 55.73 56.13 1sjm s ARG 14 Cb -0.37 -3.04 0.02 0.00 0.00 0.00 0.00 34.95 31.55 1sjm s ARG 14 CO 0.45 0.72 -0.05 -1.14 0.00 0.00 0.00 175.30 175.28 1sjm s GLN 15 N -1.29 1.17 -0.09 3.54 0.74 -0.52 -4.95 119.66 118.26 1sjm s GLN 15 Ca 0.18 -0.14 -0.21 0.00 0.05 0.00 0.00 55.36 55.25 1sjm s GLN 15 Cb -0.12 -1.28 -0.04 0.00 1.10 0.00 0.00 33.01 32.67 1sjm s GLN 15 CO 0.08 -0.22 0.59 0.15 -0.55 0.00 0.00 175.29 175.34 1sjm s LYS 16 N 1.58 4.38 -0.06 1.67 1.02 -1.26 -0.26 119.74 126.81 1sjm s LYS 16 Ca 0.01 0.67 0.02 0.00 0.02 0.00 0.00 55.97 56.69 1sjm s LYS 16 Cb -0.13 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 1sjm s LYS 16 CO -0.05 0.13 -0.11 0.08 -0.92 0.00 0.00 175.35 174.49 1sjm s VAL 17 N 0.64 3.38 -0.30 3.17 1.01 -0.45 -4.93 120.40 122.92 1sjm s VAL 17 Ca 0.32 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1sjm s VAL 17 Cb -0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1sjm s VAL 17 CO 0.14 0.59 0.25 -1.61 0.00 0.00 0.00 175.10 174.48 1sjm s GLU 18 N -0.76 3.80 0.54 2.72 8.01 -1.26 -4.67 118.70 127.07 1sjm s GLU 18 Ca 0.12 -0.35 -0.18 0.00 0.01 0.00 0.00 54.97 54.57 1sjm s GLU 18 Cb -0.11 -3.71 -0.06 0.00 -4.31 0.00 0.00 34.13 25.93 1sjm s GLU 18 CO 0.01 -0.30 1.04 -0.51 0.01 0.00 0.00 175.26 175.50 1sjm s LEU 19 N 1.83 3.67 0.21 1.80 1.43 -1.26 -4.71 118.68 121.65 1sjm s LEU 19 Ca 0.09 1.82 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 1sjm s LEU 19 Cb -0.16 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 1sjm s LEU 19 CO 0.11 -0.91 -0.13 0.68 0.23 0.00 0.00 176.35 176.33 1sjm s VAL 20 N -2.28 1.71 0.22 -1.59 -7.23 -1.26 -5.00 120.40 104.97 1sjm s VAL 20 Ca 0.64 -2.20 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 1sjm s VAL 20 Cb -0.15 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 1sjm s VAL 20 CO 0.29 -0.56 1.15 -1.81 -0.31 0.00 0.00 175.10 173.85 1sjm s ASP 21 N -3.33 7.18 0.69 4.85 -0.00 -1.26 -4.62 116.67 120.18 1sjm s ASP 21 Ca 0.23 2.23 -0.16 0.00 -0.00 0.00 0.00 52.55 54.85 1sjm s ASP 21 Cb -0.00 -2.61 -0.01 0.00 -0.00 0.00 0.00 42.92 40.29 1sjm s ASP 21 CO 0.07 -0.27 0.92 -2.65 -0.00 0.00 0.00 175.17 173.24 1sjm n PRO 22 N 1.97 0.57 -0.07 8.23 -0.02 -1.26 -2.22 135.00 142.21 1sjm n PRO 22 Ca 0.02 0.25 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 1sjm n PRO 22 Cb 0.45 -2.17 0.32 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.54 1.48 -1.46 0.52 -0.04 -1.26 -5.05 135.00 127.65 1sjm n PRO 23 Ca 0.13 -0.73 -0.31 0.00 -0.04 0.00 0.00 63.50 62.55 1sjm n PRO 23 Cb 0.49 -1.29 0.08 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.81 2.86 -0.02 0.54 0.40 -0.94 -0.95 117.98 118.07 1sjm s PHE 24 Ca 0.25 1.38 0.04 0.00 -0.60 0.00 0.00 56.93 58.00 1sjm s PHE 24 Cb 0.13 -3.00 -0.01 0.00 0.51 0.00 0.00 43.02 40.65 1sjm s PHE 24 CO 0.19 -1.58 -0.14 0.08 0.70 0.00 0.00 175.22 174.47 1sjm s VAL 25 N -3.03 1.11 0.89 -0.44 1.01 -1.26 -4.64 120.40 114.04 1sjm s VAL 25 Ca 0.60 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1sjm s VAL 25 Cb -0.15 -0.93 0.13 0.00 0.00 0.00 0.00 36.38 35.43 1sjm s VAL 25 CO 0.55 0.32 1.14 -1.38 0.00 0.00 0.00 175.10 175.73 1sjm s HIS 26 N -0.23 1.76 0.32 5.22 -3.43 -1.26 -4.90 115.29 112.77 1sjm s HIS 26 Ca 0.03 1.76 -0.29 0.00 -0.80 0.00 0.00 55.06 55.76 1sjm s HIS 26 Cb -0.06 -3.30 -0.11 0.00 -1.43 0.00 0.00 32.58 27.67 1sjm s HIS 26 CO -0.00 -2.66 1.55 0.00 -2.00 0.00 0.00 174.74 171.63 1sjm s ALA 27 N -2.69 3.68 0.26 -1.38 0.00 -1.26 -4.99 121.76 115.38 1sjm s ALA 27 Ca 0.66 1.56 -0.21 0.00 0.00 0.00 0.00 51.96 53.97 1sjm s ALA 27 Cb -0.22 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.30 1sjm s ALA 27 CO 0.58 -1.00 0.68 -3.38 0.00 0.00 0.00 175.76 172.64 1sjm s HIS 28 N -0.39 -0.22 -0.08 0.00 -3.43 -1.26 -5.03 115.29 104.87 1sjm s HIS 28 Ca 0.59 -0.19 0.01 0.00 -0.80 0.00 0.00 55.06 54.67 1sjm s HIS 28 Cb -0.47 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.31 1sjm s HIS 28 CO 0.53 -1.16 -0.10 0.45 -2.00 0.00 0.00 174.74 172.46 1sjm s SER 29 N -2.90 4.36 0.04 7.38 0.15 -1.26 -5.04 113.70 116.44 1sjm s SER 29 Ca 0.10 -0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.39 1sjm s SER 29 Cb -0.05 -1.22 -0.14 0.00 -1.71 0.00 0.00 66.02 62.90 1sjm s SER 29 CO 0.04 0.30 1.45 1.56 1.20 0.00 0.00 173.24 177.78 1sjm h GLN 30 N 5.71 0.20 -6.06 5.44 4.20 -1.97 -3.40 115.11 119.23 1sjm h GLN 30 Ca -0.42 -0.07 -0.57 0.00 0.06 0.00 0.00 58.65 57.65 1sjm h GLN 30 Cb 1.18 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.89 1sjm h GLN 30 CO 0.53 0.48 -0.02 0.08 -0.67 0.00 0.00 178.83 179.24 1sjm s VAL 31 N -4.86 4.93 0.36 -0.54 1.01 -1.26 -3.36 120.40 116.68 1sjm s VAL 31 Ca -0.14 1.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.79 1sjm s VAL 31 Cb 0.05 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 1sjm s VAL 31 CO 0.71 0.41 1.44 0.00 0.00 0.00 0.00 175.10 177.66 1sjm n ALA 32 N 2.81 2.08 -3.04 5.51 0.00 0.35 -4.95 120.51 123.27 1sjm n ALA 32 Ca -0.07 0.35 -0.45 0.00 0.00 0.00 0.00 53.44 53.28 1sjm n ALA 32 Cb 0.51 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.85 3.04 0.80 0.00 2.02 -1.26 -4.97 118.70 116.48 1sjm s GLU 33 Ca 0.55 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1sjm s GLU 33 Cb -0.51 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 29.51 1sjm s GLU 33 CO 0.62 -1.32 0.00 0.41 0.02 0.00 0.00 175.26 174.98 1sjm n GLY 34 N 5.24 -2.12 2.12 -1.39 0.00 -1.26 -4.97 105.19 102.81 1sjm n GLY 34 Ca -0.11 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.11 -0.92 3.61 -0.02 0.00 -1.26 -4.98 105.19 101.50 1sjm n GLY 35 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.44 1.45 -4.23 1.61 -0.02 -1.26 -5.00 135.00 125.11 1sjm n PRO 36 Ca 0.09 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 61.94 1sjm n PRO 36 Cb 0.32 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.76 1.02 -0.46 -0.52 1.02 -1.26 -4.34 119.74 113.44 1sjm s LYS 37 Ca 0.60 -1.40 -0.19 0.00 0.02 0.00 0.00 55.97 55.00 1sjm s LYS 37 Cb -0.63 -0.59 0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1sjm s LYS 37 CO 0.59 0.07 0.56 0.08 -0.92 0.00 0.00 175.35 175.74 1sjm s VAL 38 N -3.19 4.94 -0.25 3.17 1.01 -0.29 -1.07 120.40 124.72 1sjm s VAL 38 Ca 0.15 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1sjm s VAL 38 Cb 0.02 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1sjm s VAL 38 CO 0.00 -0.62 0.42 -0.69 0.00 0.00 0.00 175.10 174.21 1sjm s VAL 39 N 2.50 5.15 -0.18 2.92 1.01 0.37 -1.44 120.40 130.73 1sjm s VAL 39 Ca 0.16 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 62.77 1sjm s VAL 39 Cb -0.17 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1sjm s VAL 39 CO 0.14 0.16 0.05 -1.61 0.00 0.00 0.00 175.10 173.84 1sjm s GLU 40 N 1.94 3.91 0.08 2.72 2.02 0.64 -0.94 118.70 129.08 1sjm s GLU 40 Ca 0.18 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 54.85 1sjm s GLU 40 Cb -0.15 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 1sjm s GLU 40 CO 0.09 0.25 -0.16 -0.06 0.02 0.00 0.00 175.26 175.40 1sjm s PHE 41 N 0.41 1.39 -0.04 1.61 0.40 -0.53 -1.34 117.98 119.88 1sjm s PHE 41 Ca 0.02 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 1sjm s PHE 41 Cb -0.13 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.64 1sjm s PHE 41 CO 0.01 0.11 -0.13 0.99 0.70 0.00 0.00 175.22 176.89 1sjm s THR 42 N -1.34 1.15 -0.02 0.64 2.01 -1.26 -0.86 115.64 115.96 1sjm s THR 42 Ca 0.01 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1sjm s THR 42 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1sjm s THR 42 CO 0.03 0.34 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.19 1sjm s MET 43 N 0.18 0.76 -0.17 4.92 -1.94 -0.38 -4.91 119.30 117.76 1sjm s MET 43 Ca -0.05 -0.26 -0.08 0.00 -1.71 0.00 0.00 55.69 53.59 1sjm s MET 43 Cb -0.11 -0.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.95 1sjm s MET 43 CO 0.02 0.11 0.10 0.08 -0.01 0.00 0.00 175.02 175.32 1sjm s VAL 44 N 0.12 5.17 -0.04 -6.03 1.01 -1.26 -1.51 120.40 117.86 1sjm s VAL 44 Ca -0.01 0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1sjm s VAL 44 Cb -0.07 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1sjm s VAL 44 CO 0.00 0.49 0.78 -0.63 0.00 0.00 0.00 175.10 175.73 1sjm s ILE 45 N 0.07 4.97 -0.21 2.22 1.01 -0.34 -0.62 121.20 128.30 1sjm s ILE 45 Ca 0.08 1.62 0.01 0.00 0.00 0.00 0.00 60.65 62.36 1sjm s ILE 45 Cb -0.12 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1sjm s ILE 45 CO -0.00 0.24 -0.13 -1.61 0.00 0.00 0.00 174.94 173.44 1sjm s GLU 46 N 0.77 2.32 -0.14 2.79 0.41 -0.19 -4.38 118.70 120.28 1sjm s GLU 46 Ca 0.41 -0.94 -0.29 0.00 -0.41 0.00 0.00 54.97 53.74 1sjm s GLU 46 Cb -0.19 -2.55 -0.01 0.00 -1.78 0.00 0.00 34.13 29.61 1sjm s GLU 46 CO 0.21 -0.40 1.09 -1.21 -0.49 0.00 0.00 175.26 174.46 1sjm s GLU 47 N 1.31 4.33 -0.02 1.61 2.02 -1.26 -1.34 118.70 125.34 1sjm s GLU 47 Ca -0.01 1.47 -0.28 0.00 0.02 0.00 0.00 54.97 56.17 1sjm s GLU 47 Cb -0.16 -3.61 0.06 0.00 0.10 0.00 0.00 34.13 30.52 1sjm s GLU 47 CO -0.09 -0.49 0.62 -1.59 0.02 0.00 0.00 175.26 173.73 1sjm s LYS 48 N 2.63 1.03 0.23 1.61 -2.85 -0.71 -4.98 119.74 116.70 1sjm s LYS 48 Ca 0.49 0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 1sjm s LYS 48 Cb -0.19 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 1sjm s LYS 48 CO 0.14 -0.33 1.15 0.15 0.10 0.00 0.00 175.35 176.56 1sjm s LYS 49 N -1.50 4.55 0.09 1.78 1.02 -1.26 -0.45 119.74 123.98 1sjm s LYS 49 Ca -0.10 1.85 0.09 0.00 0.02 0.00 0.00 55.97 57.83 1sjm s LYS 49 Cb -0.01 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1sjm s LYS 49 CO 0.07 0.05 -0.23 0.96 -0.92 0.00 0.00 175.35 175.28 1sjm s ILE 50 N -0.59 1.86 -0.24 2.17 -4.36 -0.35 -4.90 121.20 114.79 1sjm s ILE 50 Ca 0.49 -1.51 -0.09 0.00 -0.26 0.00 0.00 60.65 59.27 1sjm s ILE 50 Cb -0.32 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.69 1sjm s ILE 50 CO 0.39 0.06 0.12 -0.69 0.24 0.00 0.00 174.94 175.06 1sjm s VAL 51 N -1.04 4.95 -1.19 8.37 1.01 -1.26 -1.01 120.40 130.23 1sjm s VAL 51 Ca 0.09 0.04 0.14 0.00 0.00 0.00 0.00 61.98 62.25 1sjm s VAL 51 Cb -0.10 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1sjm s VAL 51 CO 0.04 0.35 0.75 2.30 0.00 0.00 0.00 175.10 178.54 1sjm n ILE 52 N 4.47 0.00 -3.94 2.22 -5.35 -0.03 -4.78 119.36 111.94 1sjm n ILE 52 Ca -0.15 -0.33 -0.10 0.00 -0.27 0.00 0.00 62.75 61.89 1sjm n ILE 52 Cb 0.52 1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 39.54 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 -1.78 0.15 0.00 7.28 3.84 -1.26 -0.46 116.67 124.44 1sjm s ASP 53 Ca 0.11 -1.07 0.31 0.00 -0.00 0.00 0.00 52.55 51.89 1sjm s ASP 53 Cb 0.11 0.71 1.60 0.00 -1.38 0.00 0.00 42.92 43.96 1sjm s ASP 53 CO 0.38 -1.38 2.06 -0.90 -0.00 0.00 0.00 175.17 175.33 1sjm n ASP 54 N -0.95 0.33 -0.56 2.11 5.68 -1.26 -2.13 116.55 119.76 1sjm n ASP 54 Ca -0.03 -0.89 0.08 0.00 -0.50 0.00 0.00 54.79 53.44 1sjm n ASP 54 Cb 0.61 -0.05 0.27 0.00 -1.14 0.00 0.00 41.12 40.81 1sjm n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sjm n ALA 55 N -0.84 2.49 -1.13 2.12 0.00 -1.26 -4.93 120.51 116.95 1sjm n ALA 55 Ca 0.20 -0.53 -0.05 0.00 0.00 0.00 0.00 53.44 53.06 1sjm n ALA 55 Cb 0.20 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 1sjm n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjm n GLY 56 N 1.07 0.72 3.76 0.00 0.00 -0.90 -4.99 105.19 104.84 1sjm n GLY 56 Ca 0.14 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1sjm n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjm s THR 57 N -2.09 2.22 0.05 2.61 2.01 -1.26 -4.86 115.64 114.32 1sjm s THR 57 Ca 0.00 0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.25 1sjm s THR 57 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1sjm s THR 57 CO 0.00 0.04 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.26 1sjm s GLU 58 N -0.90 2.30 0.00 4.92 2.02 -1.26 -0.85 118.70 124.93 1sjm s GLU 58 Ca 0.59 -0.89 0.07 0.00 0.02 0.00 0.00 54.97 54.76 1sjm s GLU 58 Cb -0.46 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1sjm s GLU 58 CO 0.51 0.55 -0.22 0.08 0.02 0.00 0.00 175.26 176.20 1sjm s VAL 59 N -1.08 1.76 -0.97 2.63 1.01 -0.18 -4.95 120.40 118.62 1sjm s VAL 59 Ca 0.19 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1sjm s VAL 59 Cb -0.11 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.85 1sjm s VAL 59 CO 0.10 0.43 1.37 -1.00 0.00 0.00 0.00 175.10 176.00 1sjm s HIS 60 N -0.60 2.60 0.47 5.22 3.76 -1.26 -1.21 115.29 124.27 1sjm s HIS 60 Ca 0.09 -0.84 -0.21 0.00 -0.15 0.00 0.00 55.06 53.95 1sjm s HIS 60 Cb -0.09 -4.62 -0.09 0.00 1.11 0.00 0.00 32.58 28.90 1sjm s HIS 60 CO -0.00 -1.88 1.04 0.00 -0.85 0.00 0.00 174.74 173.05 1sjm s ALA 61 N 4.68 2.91 -0.33 -1.40 0.00 0.40 -4.83 121.76 123.20 1sjm s ALA 61 Ca 0.42 0.61 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1sjm s ALA 61 Cb -0.02 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 19.95 1sjm s ALA 61 CO -0.07 -0.27 0.06 -1.64 0.00 0.00 0.00 175.76 173.84 1sjm s MET 62 N -3.12 1.27 -0.25 0.00 -1.94 -0.46 -1.74 119.30 113.06 1sjm s MET 62 Ca 0.66 -1.62 0.02 0.00 -1.71 0.00 0.00 55.69 53.04 1sjm s MET 62 Cb -0.17 -2.84 0.06 0.00 2.01 0.00 0.00 34.83 33.89 1sjm s MET 62 CO 0.21 -0.94 -0.11 0.00 -0.01 0.00 0.00 175.02 174.16 1sjm s ALA 63 N 1.12 2.44 0.13 3.03 0.00 -0.45 -2.55 121.76 125.48 1sjm s ALA 63 Ca 0.10 -1.63 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 1sjm s ALA 63 Cb -0.18 -1.51 -0.11 0.00 0.00 0.00 0.00 23.12 21.31 1sjm s ALA 63 CO -0.13 -1.09 1.83 1.19 0.00 0.00 0.00 175.76 177.56 1sjm n PHE 64 N 4.49 2.63 -1.32 0.00 3.72 -1.25 -1.02 117.46 124.71 1sjm n PHE 64 Ca -0.14 -0.13 -0.11 0.00 -0.05 0.00 0.00 57.45 57.01 1sjm n PHE 64 Cb 0.43 -2.73 -0.05 0.00 -0.94 0.00 0.00 39.48 36.20 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 5.52 -5.15 0.00 4.37 5.15 0.21 -2.61 115.26 122.75 1sjm n ASN 65 Ca 0.18 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1sjm n ASN 65 Cb 0.37 -3.62 0.00 0.00 -0.53 0.00 0.00 39.78 36.00 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 -0.53 0.59 3.35 8.20 0.00 -0.88 -4.97 105.19 110.96 1sjm n GLY 66 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.50 1.87 -0.23 2.61 -4.23 -1.07 -4.97 115.64 107.13 1sjm s THR 67 Ca 0.00 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1sjm s THR 67 Cb 0.00 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.92 1sjm s THR 67 CO 0.00 -0.43 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.86 1sjm s VAL 68 N -2.44 1.88 0.96 2.29 1.01 -1.26 -2.95 120.40 119.89 1sjm s VAL 68 Ca 0.20 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1sjm s VAL 68 Cb -0.04 -1.96 0.17 0.00 0.00 0.00 0.00 36.38 34.54 1sjm s VAL 68 CO 0.08 0.09 1.12 -2.16 0.00 0.00 0.00 175.10 174.23 1sjm s PRO 69 N 1.27 0.74 0.98 2.72 0.04 -1.26 -2.53 135.00 136.95 1sjm s PRO 69 Ca -0.04 0.34 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 1sjm s PRO 69 Cb -0.18 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.76 1sjm s PRO 69 CO -0.07 -2.48 1.10 0.20 0.04 0.00 0.00 177.00 175.79 1sjm s GLY 70 N -3.82 1.64 0.68 0.56 0.00 -0.04 -4.74 107.32 101.59 1sjm s GLY 70 Ca 0.65 0.32 -0.13 0.00 0.00 0.00 0.00 44.72 45.55 1sjm s GLY 70 CO 0.55 0.83 1.09 2.56 0.00 0.00 0.00 173.10 178.13 1sjm s PRO 71 N -4.62 2.76 -0.10 2.90 0.04 -1.26 -4.45 135.00 130.26 1sjm s PRO 71 Ca 0.67 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 1sjm s PRO 71 Cb -0.23 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1sjm s PRO 71 CO 0.60 -1.26 0.99 -1.17 0.04 0.00 0.00 177.00 176.20 1sjm s LEU 72 N -5.17 4.25 -0.16 -3.56 2.96 -1.26 -4.33 118.68 111.42 1sjm s LEU 72 Ca 0.64 1.51 -0.08 0.00 -0.22 0.00 0.00 54.13 55.98 1sjm s LEU 72 Cb -0.18 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1sjm s LEU 72 CO 0.46 -0.43 0.12 -0.04 -1.32 0.00 0.00 176.35 175.14 1sjm s MET 73 N 1.95 3.82 -0.14 1.98 -1.94 -1.15 -4.54 119.30 119.27 1sjm s MET 73 Ca 0.48 -0.21 0.02 0.00 -1.71 0.00 0.00 55.69 54.27 1sjm s MET 73 Cb -0.18 -3.28 0.01 0.00 2.01 0.00 0.00 34.83 33.39 1sjm s MET 73 CO 0.18 0.51 -0.19 0.08 -0.01 0.00 0.00 175.02 175.58 1sjm s VAL 74 N -0.24 1.88 0.41 -6.03 1.01 -1.26 -0.55 120.40 115.61 1sjm s VAL 74 Ca 0.10 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1sjm s VAL 74 Cb -0.12 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1sjm s VAL 74 CO 0.01 0.51 0.18 0.68 0.00 0.00 0.00 175.10 176.48 1sjm s VAL 75 N 1.03 0.38 0.21 2.92 -7.23 -0.46 -5.00 120.40 112.25 1sjm s VAL 75 Ca -0.03 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.22 1sjm s VAL 75 Cb -0.15 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1sjm s VAL 75 CO -0.05 0.00 0.01 -1.00 -0.31 0.00 0.00 175.10 173.75 1sjm s HIS 76 N -3.22 2.80 0.15 2.82 3.76 -1.26 -0.96 115.29 119.37 1sjm s HIS 76 Ca 0.26 -0.17 -0.34 0.00 -0.15 0.00 0.00 55.06 54.66 1sjm s HIS 76 Cb 0.01 -1.31 -0.15 0.00 1.11 0.00 0.00 32.58 32.25 1sjm s HIS 76 CO 0.18 0.55 1.45 0.94 -0.85 0.00 0.00 174.74 177.01 1sjm n GLN 77 N -0.46 1.75 -0.95 1.40 7.27 0.11 -1.39 117.38 125.10 1sjm n GLN 77 Ca -0.08 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1sjm n GLN 77 Cb 0.57 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.89 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 2.86 -2.17 -4.67 1.69 10.43 0.42 -4.74 116.55 120.36 1sjm n ASP 78 Ca 0.16 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.23 1sjm n ASP 78 Cb 0.26 -0.98 0.17 0.00 1.84 0.00 0.00 41.12 42.40 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 -2.32 2.83 -0.10 -2.24 -0.00 -0.49 -4.66 116.67 109.69 1sjm s ASP 79 Ca 0.00 1.42 -0.02 0.00 -0.00 0.00 0.00 52.55 53.95 1sjm s ASP 79 Cb 0.00 -2.10 -0.03 0.00 -0.00 0.00 0.00 42.92 40.79 1sjm s ASP 79 CO 0.00 -3.03 -0.01 -0.31 -0.00 0.00 0.00 175.17 171.81 1sjm s TYR 80 N -2.87 3.11 -0.26 4.23 1.51 -0.23 -1.04 117.35 121.80 1sjm s TYR 80 Ca 0.65 0.06 -0.10 0.00 -1.01 0.00 0.00 57.07 56.67 1sjm s TYR 80 Cb -0.19 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1sjm s TYR 80 CO 0.58 0.32 0.16 -1.17 -1.11 0.00 0.00 175.55 174.33 1sjm s LEU 81 N -0.52 3.95 -0.32 -1.29 0.20 -0.22 -0.48 118.68 120.00 1sjm s LEU 81 Ca 0.09 -0.00 0.02 0.00 0.69 0.00 0.00 54.13 54.92 1sjm s LEU 81 Cb -0.12 -2.08 0.08 0.00 -0.43 0.00 0.00 46.19 43.64 1sjm s LEU 81 CO 0.02 -0.01 0.01 -0.70 -0.29 0.00 0.00 176.35 175.38 1sjm s GLU 82 N 1.50 1.96 -0.21 1.98 2.12 -0.11 -1.39 118.70 124.55 1sjm s GLU 82 Ca 0.07 -1.59 -0.08 0.00 0.36 0.00 0.00 54.97 53.73 1sjm s GLU 82 Cb -0.15 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1sjm s GLU 82 CO 0.08 -0.78 0.09 -1.17 -0.54 0.00 0.00 175.26 172.93 1sjm s LEU 83 N 1.06 3.81 -0.34 2.70 2.96 0.20 -1.45 118.68 127.62 1sjm s LEU 83 Ca 0.01 0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.77 1sjm s LEU 83 Cb -0.20 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1sjm s LEU 83 CO -0.05 0.11 0.52 -0.89 -1.32 0.00 0.00 176.35 174.71 1sjm s THR 84 N 0.77 5.02 -0.15 3.68 2.01 -0.04 -1.25 115.64 125.67 1sjm s THR 84 Ca 0.04 0.40 -0.02 0.00 0.31 0.00 0.00 61.69 62.42 1sjm s THR 84 Cb -0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1sjm s THR 84 CO 0.02 -0.19 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.47 1sjm s LEU 85 N 2.40 3.02 -0.10 4.42 2.96 -0.24 -1.25 118.68 129.88 1sjm s LEU 85 Ca 0.19 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1sjm s LEU 85 Cb -0.15 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1sjm s LEU 85 CO 0.13 0.15 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.47 1sjm s ILE 86 N 0.49 1.86 -0.47 6.68 1.01 -0.57 -1.44 121.20 128.76 1sjm s ILE 86 Ca -0.05 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1sjm s ILE 86 Cb -0.15 -1.63 0.12 0.00 0.01 0.00 0.00 42.46 40.82 1sjm s ILE 86 CO 0.03 0.51 0.28 0.21 0.00 0.00 0.00 174.94 175.98 1sjm s ASN 87 N 0.56 5.31 0.79 3.58 2.47 -0.34 -1.20 114.94 126.11 1sjm s ASN 87 Ca -0.15 -2.22 -0.13 0.00 0.42 0.00 0.00 52.86 50.78 1sjm s ASN 87 Cb -0.17 -1.86 0.07 0.00 -1.45 0.00 0.00 41.25 37.85 1sjm s ASN 87 CO 0.05 -0.52 1.18 -2.84 -3.72 0.00 0.00 177.10 171.25 1sjm s PRO 88 N 0.87 1.81 0.50 0.43 0.02 -1.26 -0.17 135.00 137.20 1sjm s PRO 88 Ca 0.10 1.66 0.34 0.00 0.02 0.00 0.00 61.00 63.12 1sjm s PRO 88 Cb -0.22 -1.81 1.68 0.00 0.02 0.00 0.00 34.50 34.17 1sjm s PRO 88 CO -0.04 -2.06 2.02 1.05 -0.33 0.00 0.00 177.00 177.64 1sjm h GLU 89 N -0.82 0.00 0.00 5.54 4.11 -1.91 -1.90 114.58 119.59 1sjm h GLU 89 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1sjm h GLU 89 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1sjm h GLU 89 CO 0.47 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.34 1sjm h THR 90 N 0.00 0.00 -4.45 -1.06 1.35 -1.96 -3.45 112.91 103.33 1sjm h THR 90 Ca 0.00 -0.47 -0.49 0.00 -0.55 0.00 0.00 66.41 64.90 1sjm h THR 90 Cb 0.17 1.42 0.08 0.00 -1.73 0.00 0.00 68.15 68.08 1sjm h THR 90 CO 0.00 0.00 0.42 0.20 -0.25 0.00 0.00 175.52 175.89 1sjm s ASN 91 N -5.41 5.57 -0.04 5.36 0.01 -0.71 -5.01 114.94 114.70 1sjm s ASN 91 Ca 0.02 1.18 0.11 0.00 -0.71 0.00 0.00 52.86 53.46 1sjm s ASN 91 Cb 0.09 -2.02 -0.16 0.00 0.41 0.00 0.00 41.25 39.56 1sjm s ASN 91 CO 0.52 -1.27 0.19 0.35 -1.51 0.00 0.00 177.10 175.38 1sjm n THR 92 N -2.97 0.19 -4.26 1.60 -2.24 -1.26 -4.76 114.28 100.58 1sjm n THR 92 Ca 0.07 -0.31 -0.28 0.00 -2.27 0.00 0.00 64.05 61.26 1sjm n THR 92 Cb 0.57 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 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 -4.05 3.05 0.38 3.22 1.43 -1.26 -4.89 118.68 116.56 1sjm s LEU 93 Ca -0.04 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 1sjm s LEU 93 Cb 0.06 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 1sjm s LEU 93 CO 0.46 0.12 1.15 -0.32 0.23 0.00 0.00 176.35 177.99 1sjm s MET 94 N -2.68 4.18 0.17 1.70 -2.45 -1.26 -4.18 119.30 114.79 1sjm s MET 94 Ca 0.24 1.80 0.01 0.00 -1.25 0.00 0.00 55.69 56.49 1sjm s MET 94 Cb -0.09 -2.76 -0.04 0.00 1.25 0.00 0.00 34.83 33.18 1sjm s MET 94 CO 0.15 -0.20 0.03 -1.01 1.05 0.00 0.00 175.02 175.05 1sjm s HIS 95 N -1.40 1.16 0.00 4.11 0.09 -0.84 -4.91 115.29 113.50 1sjm s HIS 95 Ca 0.55 -1.11 0.00 0.00 -0.00 0.00 0.00 55.06 54.50 1sjm s HIS 95 Cb -0.30 -0.66 0.00 0.00 -0.00 0.00 0.00 32.58 31.62 1sjm s HIS 95 CO 0.38 -0.32 0.00 0.27 -0.00 0.00 0.00 174.74 175.07 1sjm n ASN 96 N -0.23 0.00 -3.76 1.40 6.94 -1.26 -0.97 115.26 117.38 1sjm n ASN 96 Ca -0.05 -0.75 -0.13 0.00 -0.02 0.00 0.00 54.58 53.63 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 -2.48 -0.03 -0.24 1.53 2.07 -1.26 -4.18 121.20 116.62 1sjm s ILE 97 Ca 0.00 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 1sjm s ILE 97 Cb 0.00 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.29 1sjm s ILE 97 CO 0.00 0.04 -0.04 -0.62 -1.91 0.00 0.00 174.94 172.41 1sjm s ASP 98 N 0.80 4.36 -0.33 4.50 3.68 0.53 -1.35 116.67 128.86 1sjm s ASP 98 Ca -0.06 -0.67 -0.16 0.00 2.13 0.00 0.00 52.55 53.80 1sjm s ASP 98 Cb -0.07 -1.71 -0.02 0.00 -1.45 0.00 0.00 42.92 39.67 1sjm s ASP 98 CO -0.05 -0.09 0.39 -0.36 0.13 0.00 0.00 175.17 175.20 1sjm s PHE 99 N 1.40 3.21 0.41 -5.34 0.40 0.18 -1.09 117.98 117.15 1sjm s PHE 99 Ca 0.03 0.10 0.39 0.00 -0.60 0.00 0.00 56.93 56.85 1sjm s PHE 99 Cb -0.16 -2.70 2.03 0.00 0.51 0.00 0.00 43.02 42.70 1sjm s PHE 99 CO -0.04 -0.41 2.19 0.45 0.70 0.00 0.00 175.22 178.11 1sjm h HIS 100 N 8.41 0.00 0.00 0.36 3.86 -1.51 -1.71 115.15 124.56 1sjm h HIS 100 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1sjm h HIS 100 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1sjm h HIS 100 CO 0.71 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.50 1sjm h ALA 101 N 2.01 1.00 -2.13 2.45 0.00 -1.90 -3.47 119.26 117.22 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 0.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sjm h ALA 101 CO 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 179.25 179.04 1sjm s ALA 102 N -3.40 3.81 -0.19 0.00 0.00 -0.64 -4.58 121.76 116.75 1sjm s ALA 102 Ca 0.05 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1sjm s ALA 102 Cb 0.08 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 21.22 1sjm s ALA 102 CO 0.56 -0.10 -0.12 0.99 0.00 0.00 0.00 175.76 177.10 1sjm s THR 103 N -2.33 1.72 0.00 0.00 2.01 -1.26 -4.69 115.64 111.08 1sjm s THR 103 Ca 0.42 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.44 1sjm s THR 103 Cb -0.10 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.68 1sjm s THR 103 CO 0.35 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 1sjm n GLY 104 N 4.67 3.02 4.11 4.40 0.00 -1.26 -4.95 105.19 115.18 1sjm n GLY 104 Ca -0.16 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.25 -1.97 -3.80 4.61 0.00 -1.26 -0.88 120.51 116.96 1sjm n ALA 105 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 1sjm n ALA 105 Cb 0.00 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.17 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 -4.46 -2.86 0.00 0.00 4.77 -1.26 -1.15 117.00 112.03 1sjm n LEU 106 Ca -0.30 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1sjm n LEU 106 Cb 0.68 -2.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 1sjm n LEU 106 CO 0.80 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 1sjm n GLY 107 N -1.77 0.42 0.00 -0.72 0.00 -0.06 -2.71 105.19 100.35 1sjm n GLY 107 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.16 2.37 0.29 -0.02 0.00 -0.30 -0.64 105.19 104.72 1sjm n GLY 108 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.49 2.00 -0.02 0.00 -0.73 -1.71 103.07 103.09 1sjm h GLY 109 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1sjm h GLY 109 CO 0.00 0.21 0.00 -1.33 0.00 0.00 0.00 176.54 175.42 1sjm h GLY 110 N 0.59 0.00 -1.16 4.60 0.00 -1.57 -3.14 103.07 102.39 1sjm h GLY 110 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1sjm h GLY 110 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 1sjm n LEU 111 N -2.75 2.23 -0.26 3.11 4.77 -0.67 -4.70 117.00 118.73 1sjm n LEU 111 Ca 0.01 -1.06 0.06 0.00 -0.03 0.00 0.00 56.01 54.99 1sjm n LEU 111 Cb 0.28 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1sjm n LEU 111 CO 0.24 0.42 0.44 0.35 -1.33 0.00 0.00 177.39 177.51 1sjm n THR 112 N 0.79 1.14 -2.19 -5.08 -2.24 -1.06 -4.95 114.28 100.68 1sjm n THR 112 Ca 0.09 -1.39 -0.43 0.00 -2.27 0.00 0.00 64.05 60.05 1sjm n THR 112 Cb 0.36 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.73 3.41 -0.15 -0.78 2.02 -1.25 -4.20 118.70 116.02 1sjm s GLU 113 Ca 0.20 1.09 0.02 0.00 0.02 0.00 0.00 54.97 56.29 1sjm s GLU 113 Cb 0.17 -4.12 0.01 0.00 0.10 0.00 0.00 34.13 30.30 1sjm s GLU 113 CO 0.01 -1.77 -0.20 0.96 0.02 0.00 0.00 175.26 174.29 1sjm s ILE 114 N 6.25 1.93 0.74 -1.63 -4.36 -0.14 -4.98 121.20 119.01 1sjm s ILE 114 Ca 0.69 -0.89 -0.11 0.00 -0.26 0.00 0.00 60.65 60.08 1sjm s ILE 114 Cb -0.17 -1.73 0.03 0.00 1.25 0.00 0.00 42.46 41.84 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 1.02 5.06 0.24 4.36 0.02 -1.26 -1.99 114.94 122.39 1sjm s ASN 115 Ca -0.03 1.40 -0.31 0.00 -1.02 0.00 0.00 52.86 52.91 1sjm s ASN 115 Cb -0.15 -2.22 -0.14 0.00 0.02 0.00 0.00 41.25 38.77 1sjm s ASN 115 CO -0.06 -1.62 1.34 -2.65 0.02 0.00 0.00 177.10 174.13 1sjm n PRO 116 N -3.22 1.86 -0.53 -0.60 -0.02 -1.26 -1.35 135.00 129.88 1sjm n PRO 116 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1sjm n PRO 116 Cb 0.55 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.98 0.75 3.53 -1.23 0.00 0.76 -4.75 105.19 106.24 1sjm n GLY 117 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.47 1.89 0.20 1.61 2.02 -0.45 -4.92 118.70 118.57 1sjm s GLU 118 Ca 0.00 -1.56 0.01 0.00 0.02 0.00 0.00 54.97 53.44 1sjm s GLU 118 Cb 0.00 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 1sjm s GLU 118 CO 0.00 0.37 0.06 -1.59 0.02 0.00 0.00 175.26 174.12 1sjm s LYS 119 N -3.33 1.19 0.08 1.61 -2.85 -1.26 -1.20 119.74 113.98 1sjm s LYS 119 Ca 0.28 -1.61 -0.16 0.00 -1.00 0.00 0.00 55.97 53.49 1sjm s LYS 119 Cb -0.06 -0.10 0.03 0.00 -2.06 0.00 0.00 37.83 35.63 1sjm s LYS 119 CO 0.16 -0.24 0.37 -0.08 0.10 0.00 0.00 175.35 175.66 1sjm s THR 120 N -3.83 0.07 -0.11 3.79 -1.32 -0.52 -5.01 115.64 108.71 1sjm s THR 120 Ca 0.31 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 1sjm s THR 120 Cb 0.07 -1.08 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1sjm s THR 120 CO 0.08 -0.33 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.42 1sjm s ILE 121 N -3.20 1.19 -0.08 5.08 1.01 -1.26 -1.08 121.20 122.86 1sjm s ILE 121 Ca -0.01 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1sjm s ILE 121 Cb 0.01 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1sjm s ILE 121 CO -0.08 0.39 -0.18 -0.22 0.00 0.00 0.00 174.94 174.85 1sjm s LEU 122 N 1.42 2.45 -0.08 2.97 2.96 -0.38 -4.97 118.68 123.05 1sjm s LEU 122 Ca 0.00 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1sjm s LEU 122 Cb -0.13 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1sjm s LEU 122 CO -0.06 0.24 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.37 1sjm s ARG 123 N -0.14 2.78 0.05 1.98 3.52 -1.26 -0.63 118.95 125.26 1sjm s ARG 123 Ca -0.02 -0.89 0.01 0.00 -0.13 0.00 0.00 55.73 54.69 1sjm s ARG 123 Cb -0.14 -2.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 1sjm s ARG 123 CO 0.04 0.29 -0.05 -0.59 -0.81 0.00 0.00 175.30 174.18 1sjm s PHE 124 N 0.06 0.57 -0.11 5.12 -0.12 -0.49 -4.99 117.98 118.03 1sjm s PHE 124 Ca -0.10 -0.73 -0.22 0.00 -0.05 0.00 0.00 56.93 55.82 1sjm s PHE 124 Cb -0.16 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.83 1sjm s PHE 124 CO 0.06 -0.20 0.67 0.21 -0.05 0.00 0.00 175.22 175.91 1sjm s LYS 125 N -2.59 4.36 -1.25 1.99 2.20 -1.26 -1.06 119.74 122.13 1sjm s LYS 125 Ca -0.03 0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 56.21 1sjm s LYS 125 Cb -0.02 -3.49 0.14 0.00 -1.51 0.00 0.00 37.83 32.95 1sjm s LYS 125 CO -0.04 -0.03 1.58 0.00 -0.36 0.00 0.00 175.35 176.50 1sjm n ALA 126 N 4.19 3.92 0.24 3.13 0.00 -0.20 -4.77 120.51 127.01 1sjm n ALA 126 Ca -0.02 -4.12 0.13 0.00 0.00 0.00 0.00 53.44 49.43 1sjm n ALA 126 Cb 0.51 -3.23 0.27 0.00 0.00 0.00 0.00 19.45 17.00 1sjm n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1sjm h THR 127 N 4.84 0.00 -3.31 0.00 1.35 -1.85 0.12 112.91 114.06 1sjm h THR 127 Ca 0.37 -0.90 -0.63 0.00 -0.55 0.00 0.00 66.41 64.69 1sjm h THR 127 Cb 0.85 1.90 -0.34 0.00 -1.73 0.00 0.00 68.15 68.84 1sjm h THR 127 CO 1.35 0.00 -0.86 -0.54 -0.25 0.00 0.00 175.52 175.22 1sjm s LYS 128 N -3.29 2.66 0.11 4.72 1.02 -1.26 -4.75 119.74 118.95 1sjm s LYS 128 Ca 0.06 -0.74 -0.28 0.00 0.02 0.00 0.00 55.97 55.03 1sjm s LYS 128 Cb 0.06 -2.10 -0.06 0.00 -0.52 0.00 0.00 37.83 35.21 1sjm s LYS 128 CO 0.65 0.07 0.89 -1.25 -0.92 0.00 0.00 175.35 174.79 1sjm s PRO 129 N 0.60 4.65 0.00 -1.68 0.04 -1.26 -4.80 135.00 132.55 1sjm s PRO 129 Ca -0.14 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1sjm s PRO 129 Cb -0.17 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1sjm s PRO 129 CO 0.04 0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.78 1sjm n GLY 130 N 2.17 -0.52 3.86 0.56 0.00 0.15 -1.89 105.19 109.53 1sjm n GLY 130 Ca 0.00 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.96 5.19 -0.04 1.61 -7.23 0.67 -0.07 120.40 118.57 1sjm s VAL 131 Ca 0.00 0.48 -0.04 0.00 -1.81 0.00 0.00 61.98 60.61 1sjm s VAL 131 Cb 0.00 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.34 1sjm s VAL 131 CO 0.00 0.46 0.11 -0.36 -0.31 0.00 0.00 175.10 175.00 1sjm s PHE 132 N -1.21 -0.11 0.50 2.82 0.08 -0.23 -4.48 117.98 115.35 1sjm s PHE 132 Ca 0.26 0.27 -0.22 0.00 0.12 0.00 0.00 56.93 57.36 1sjm s PHE 132 Cb -0.14 0.04 -0.06 0.00 -0.57 0.00 0.00 43.02 42.28 1sjm s PHE 132 CO 0.14 -0.07 1.18 0.08 -0.10 0.00 0.00 175.22 176.45 1sjm s VAL 133 N -0.01 2.99 0.12 -0.44 1.01 -1.26 -0.63 120.40 122.18 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 33.00 1sjm s VAL 133 CO 0.00 -0.05 -0.20 -0.72 0.00 0.00 0.00 175.10 174.13 1sjm s TYR 134 N -1.59 1.78 0.08 5.22 -0.85 -0.67 -1.37 117.35 119.95 1sjm s TYR 134 Ca 0.68 -0.44 -0.26 0.00 -0.52 0.00 0.00 57.07 56.54 1sjm s TYR 134 Cb -0.29 -0.95 0.08 0.00 0.38 0.00 0.00 41.96 41.19 1sjm s TYR 134 CO 0.34 0.24 0.69 -3.38 -1.52 0.00 0.00 175.55 171.92 1sjm s HIS 135 N -1.44 -0.51 0.52 -3.49 -3.43 -0.25 -0.83 115.29 105.86 1sjm s HIS 135 Ca 0.09 0.43 -0.19 0.00 -0.80 0.00 0.00 55.06 54.59 1sjm s HIS 135 Cb -0.09 0.53 -0.07 0.00 -1.43 0.00 0.00 32.58 31.52 1sjm s HIS 135 CO 0.05 -0.72 1.08 0.00 -2.00 0.00 0.00 174.74 173.14 1sjm n ALA 137 N -1.23 -1.03 -2.33 0.00 0.00 -1.26 -4.49 120.51 110.17 1sjm n ALA 137 Ca 0.10 -1.60 -0.42 0.00 0.00 0.00 0.00 53.44 51.52 1sjm n ALA 137 Cb 0.52 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 0.51 4.34 0.13 0.00 0.02 -1.26 -4.87 135.00 133.87 1sjm s PRO 138 Ca 0.32 1.86 -0.35 0.00 0.02 0.00 0.00 61.00 62.85 1sjm s PRO 138 Cb 0.22 -3.47 -0.16 0.00 0.02 0.00 0.00 34.50 31.12 1sjm s PRO 138 CO -0.23 -0.44 1.33 -2.30 -0.33 0.00 0.00 177.00 175.03 1sjm n PRO 139 N 4.77 1.38 0.00 5.54 -0.02 -1.26 -1.17 135.00 144.23 1sjm n PRO 139 Ca 0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1sjm n PRO 139 Cb 0.45 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.49 2.30 2.42 -1.23 0.00 -1.26 -4.80 105.19 105.11 1sjm n GLY 140 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 1.19 0.39 1.61 2.81 -0.32 -4.99 117.12 115.81 1sjm n MET 141 Ca 0.00 -3.00 -0.15 0.00 -1.81 0.00 0.00 57.70 52.74 1sjm n MET 141 Cb 0.00 -1.08 -0.07 0.00 -0.71 0.00 0.00 33.22 31.36 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 5.99 0.00 -0.12 2.03 2.07 -1.83 -2.94 116.25 121.46 1sjm h VAL 142 Ca -0.18 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1sjm h VAL 142 Cb 1.46 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1sjm h VAL 142 CO 0.15 0.00 -0.11 1.55 0.02 0.00 0.00 177.57 179.18 1sjm h PRO 143 N -1.16 0.18 -0.60 1.57 0.13 -1.92 -2.53 132.00 127.67 1sjm h PRO 143 Ca -0.10 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.05 1sjm h PRO 143 Cb 0.77 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.82 1sjm h PRO 143 CO 0.17 0.30 0.32 2.35 -0.23 0.00 0.00 178.00 180.91 1sjm h TRP 144 N 0.18 0.59 -0.38 1.56 7.01 -1.95 0.28 115.95 123.23 1sjm h TRP 144 Ca 0.04 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 60.91 1sjm h TRP 144 Cb 0.31 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 1sjm h TRP 144 CO 0.00 0.28 -0.37 0.45 -2.79 0.00 0.00 178.44 176.01 1sjm h HIS 145 N 0.60 1.11 -0.35 2.65 3.86 -1.28 -2.15 115.15 119.60 1sjm h HIS 145 Ca 0.27 -0.33 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 1sjm h HIS 145 Cb 0.17 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1sjm h HIS 145 CO -0.09 1.16 0.16 0.28 0.86 0.00 0.00 177.93 180.29 1sjm h VAL 146 N 0.74 1.17 -0.03 2.45 2.07 -1.08 -2.15 116.25 119.43 1sjm h VAL 146 Ca 0.06 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1sjm h VAL 146 Cb 0.96 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1sjm h VAL 146 CO 0.09 0.18 0.00 1.33 0.02 0.00 0.00 177.57 179.20 1sjm n VAL 147 N -4.72 0.04 0.46 2.57 0.24 0.04 -1.55 118.33 115.41 1sjm n VAL 147 Ca -0.01 -0.10 0.07 0.00 -2.04 0.00 0.00 64.34 62.25 1sjm n VAL 147 Cb 0.12 -0.11 0.20 0.00 -1.47 0.00 0.00 33.84 32.58 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 -0.50 2.63 0.00 -1.34 7.64 -0.81 -4.68 113.62 116.57 1sjm n SER 148 Ca 0.18 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1sjm n SER 148 Cb 0.17 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.04 0.80 2.78 0.23 0.00 -0.60 -1.36 105.19 108.09 1sjm n GLY 149 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.22 3.61 -3.46 1.61 0.00 -0.86 -4.52 117.12 111.27 1sjm n MET 150 Ca 0.00 -3.33 -0.14 0.00 0.00 0.00 0.00 57.70 54.23 1sjm n MET 150 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 33.22 30.24 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 1.20 -0.59 0.00 6.12 2.20 -1.26 -1.69 114.94 120.91 1sjm s ASN 151 Ca 0.43 0.28 0.00 0.00 -0.94 0.00 0.00 52.86 52.63 1sjm s ASN 151 Cb 0.12 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.93 1sjm s ASN 151 CO -0.02 -0.81 0.00 0.61 -2.94 0.00 0.00 177.10 173.94 1sjm n GLY 152 N 0.13 3.40 3.36 0.45 0.00 -0.01 -0.86 105.19 111.65 1sjm n GLY 152 Ca -0.17 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.07 -0.56 0.24 4.61 0.00 -1.26 -1.67 121.76 122.05 1sjm s ALA 153 Ca 0.00 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.63 1sjm s ALA 153 Cb 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 1sjm s ALA 153 CO 0.00 -0.67 -0.15 0.96 0.00 0.00 0.00 175.76 175.91 1sjm s ILE 154 N -3.88 1.95 -0.15 0.00 -4.36 0.20 -2.94 121.20 112.03 1sjm s ILE 154 Ca 0.09 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 1sjm s ILE 154 Cb 0.02 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.56 1sjm s ILE 154 CO -0.06 -0.49 -0.18 -0.32 0.24 0.00 0.00 174.94 174.13 1sjm s MET 155 N -3.62 2.64 -0.50 0.37 -2.45 0.29 -1.07 119.30 114.97 1sjm s MET 155 Ca 0.26 -0.70 -0.11 0.00 -1.25 0.00 0.00 55.69 53.88 1sjm s MET 155 Cb -0.01 -2.26 0.12 0.00 1.25 0.00 0.00 34.83 33.93 1sjm s MET 155 CO 0.10 -0.14 0.40 0.08 1.05 0.00 0.00 175.02 176.51 1sjm s VAL 156 N 1.17 4.53 0.42 10.11 1.01 0.90 -1.35 120.40 137.19 1sjm s VAL 156 Ca -0.00 -1.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.05 1sjm s VAL 156 Cb -0.14 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1sjm s VAL 156 CO -0.07 -0.81 1.01 -0.76 0.00 0.00 0.00 175.10 174.47 1sjm s LEU 157 N 1.42 4.04 0.64 3.92 1.43 -0.13 -0.67 118.68 129.33 1sjm s LEU 157 Ca 0.05 1.90 -0.18 0.00 -1.03 0.00 0.00 54.13 54.87 1sjm s LEU 157 Cb -0.27 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 1sjm s LEU 157 CO 0.00 -0.49 1.30 -2.84 0.23 0.00 0.00 176.35 174.55 1sjm s PRO 158 N -2.81 2.59 0.51 1.29 0.02 -1.26 -0.72 135.00 134.63 1sjm s PRO 158 Ca 0.61 2.08 0.17 0.00 0.02 0.00 0.00 61.00 63.88 1sjm s PRO 158 Cb -0.17 -1.87 1.27 0.00 0.02 0.00 0.00 34.50 33.75 1sjm s PRO 158 CO 0.22 -1.57 2.12 0.00 -0.33 0.00 0.00 177.00 177.44 1sjm h ARG 159 N 0.61 0.00 -0.69 5.54 3.08 -1.88 -0.86 114.38 120.18 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 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1sjm h ARG 159 CO 0.53 0.05 0.00 0.39 -1.07 0.00 0.00 179.97 179.87 1sjm n GLU 160 N -4.38 3.50 -0.20 0.04 -0.58 -1.26 -0.49 120.64 117.26 1sjm n GLU 160 Ca -0.03 -2.12 0.03 0.00 -0.42 0.00 0.00 57.16 54.62 1sjm n GLU 160 Cb 0.13 -1.95 -0.01 0.00 -0.57 0.00 0.00 31.44 29.04 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 0.54 -1.91 3.82 0.62 0.00 -0.33 -4.77 105.19 103.17 1sjm n GLY 161 Ca 0.19 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 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 3.83 0.06 0.99 1.43 -1.26 -4.45 118.68 119.27 1sjm s LEU 162 Ca 0.00 1.68 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1sjm s LEU 162 Cb 0.00 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 1sjm s LEU 162 CO 0.00 -0.49 -0.06 -1.00 0.23 0.00 0.00 176.35 175.03 1sjm s HIS 163 N -2.29 0.64 0.58 0.29 3.76 -1.26 -1.27 115.29 115.74 1sjm s HIS 163 Ca 0.62 -0.73 -0.10 0.00 -0.15 0.00 0.00 55.06 54.70 1sjm s HIS 163 Cb -0.10 -0.40 0.14 0.00 1.11 0.00 0.00 32.58 33.33 1sjm s HIS 163 CO 0.20 -0.18 0.74 -0.40 -0.85 0.00 0.00 174.74 174.25 1sjm n ASP 164 N 0.80 -0.20 0.06 1.40 5.68 0.36 -4.82 116.55 119.82 1sjm n ASP 164 Ca -0.18 -1.21 0.10 0.00 -0.50 0.00 0.00 54.79 52.99 1sjm n ASP 164 Cb 0.58 -0.58 0.42 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.24 -1.21 0.99 6.12 0.00 -1.26 -2.21 105.19 107.38 1sjm n GLY 165 Ca 0.09 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.84 3.08 -0.68 1.61 4.01 -1.26 -4.98 118.16 118.10 1sjm n LYS 166 Ca 0.03 -2.48 0.00 0.00 -0.51 0.00 0.00 58.31 55.35 1sjm n LYS 166 Cb 0.23 -1.57 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 1sjm n LYS 166 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1sjm n GLY 167 N 0.57 0.77 3.74 0.72 0.00 -0.94 -5.05 105.19 105.00 1sjm n GLY 167 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.32 4.71 0.33 1.61 2.20 -1.26 -4.78 119.74 122.23 1sjm s LYS 168 Ca 0.00 1.55 -0.29 0.00 -0.36 0.00 0.00 55.97 56.87 1sjm s LYS 168 Cb 0.00 -3.32 -0.12 0.00 -1.51 0.00 0.00 37.83 32.88 1sjm s LYS 168 CO 0.00 0.26 1.42 0.00 -0.36 0.00 0.00 175.35 176.67 1sjm n ALA 169 N 2.25 1.81 -4.07 3.13 0.00 -1.26 -0.49 120.51 121.88 1sjm n ALA 169 Ca 0.01 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1sjm n ALA 169 Cb 0.48 -2.34 -0.16 0.00 0.00 0.00 0.00 19.45 17.43 1sjm n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sjm s LEU 170 N -1.02 2.66 -0.18 0.00 1.43 -0.39 -4.77 118.68 116.41 1sjm s LEU 170 Ca 0.58 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1sjm s LEU 170 Cb -0.54 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.26 1sjm s LEU 170 CO 0.58 -0.11 -0.17 -0.89 0.23 0.00 0.00 176.35 175.99 1sjm s THR 171 N 1.25 1.92 0.33 5.49 2.01 -1.26 -4.02 115.64 121.35 1sjm s THR 171 Ca -0.02 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 1sjm s THR 171 Cb -0.16 -1.80 -0.07 0.00 0.01 0.00 0.00 72.50 70.47 1sjm s THR 171 CO -0.09 0.43 0.69 -0.72 -0.69 0.00 0.00 174.62 174.24 1sjm s TYR 172 N 1.32 3.42 -0.05 4.92 -0.85 -1.26 -4.86 117.35 120.00 1sjm s TYR 172 Ca 0.03 1.04 0.04 0.00 -0.52 0.00 0.00 57.07 57.66 1sjm s TYR 172 Cb -0.14 -2.41 -0.25 0.00 0.38 0.00 0.00 41.96 39.55 1sjm s TYR 172 CO -0.11 0.07 0.65 -0.44 -1.52 0.00 0.00 175.55 174.20 1sjm h ASP 173 N 1.93 0.18 -4.85 -0.18 3.32 -0.97 -3.49 116.42 112.36 1sjm h ASP 173 Ca -0.47 -0.35 -0.22 0.00 0.02 0.00 0.00 57.03 56.00 1sjm h ASP 173 Cb 1.18 -0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.48 1sjm h ASP 173 CO 0.66 1.31 -0.71 -0.54 -1.72 0.00 0.00 179.24 178.23 1sjm s LYS 174 N -2.60 0.52 -0.01 3.56 1.02 -0.90 -5.02 119.74 116.32 1sjm s LYS 174 Ca -0.10 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.05 1sjm s LYS 174 Cb 0.07 -0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1sjm s LYS 174 CO 0.82 -0.00 -0.04 -1.50 -0.92 0.00 0.00 175.35 173.70 1sjm s ILE 175 N -2.02 0.36 0.08 2.17 2.07 -1.26 -1.19 121.20 121.41 1sjm s ILE 175 Ca -0.06 -0.15 0.06 0.00 -1.41 0.00 0.00 60.65 59.08 1sjm s ILE 175 Cb -0.06 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 1sjm s ILE 175 CO -0.02 0.12 -0.17 -0.31 -1.91 0.00 0.00 174.94 172.66 1sjm s TYR 176 N 0.15 1.44 -0.24 3.50 2.02 -0.46 -4.47 117.35 119.29 1sjm s TYR 176 Ca -0.01 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 1sjm s TYR 176 Cb -0.05 -0.81 0.04 0.00 -0.40 0.00 0.00 41.96 40.74 1sjm s TYR 176 CO -0.00 0.10 -0.11 -0.47 -1.57 0.00 0.00 175.55 173.50 1sjm s TYR 177 N -1.15 3.08 -0.38 2.71 5.04 -0.12 -0.99 117.35 125.54 1sjm s TYR 177 Ca 0.02 -1.86 -0.11 0.00 -2.44 0.00 0.00 57.07 52.68 1sjm s TYR 177 Cb -0.10 -1.98 0.03 0.00 0.35 0.00 0.00 41.96 40.26 1sjm s TYR 177 CO 0.03 -0.81 0.22 0.08 -1.34 0.00 0.00 175.55 173.73 1sjm s VAL 178 N 1.23 4.58 -0.24 3.14 1.01 0.58 -4.22 120.40 126.49 1sjm s VAL 178 Ca -0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 1sjm s VAL 178 Cb -0.17 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1sjm s VAL 178 CO -0.07 -0.27 0.38 -0.83 0.00 0.00 0.00 175.10 174.31 1sjm s GLY 179 N 1.61 1.96 -0.14 4.51 0.00 -1.26 -1.82 107.32 112.17 1sjm s GLY 179 Ca 0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 1sjm s GLY 179 CO 0.06 0.90 0.19 1.85 0.00 0.00 0.00 173.10 176.10 1sjm s GLU 180 N 1.73 3.89 -0.09 2.90 2.12 -0.46 -1.79 118.70 127.00 1sjm s GLU 180 Ca 0.17 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.43 1sjm s GLU 180 Cb -0.15 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1sjm s GLU 180 CO 0.09 0.51 -0.12 -1.14 -0.54 0.00 0.00 175.26 174.05 1sjm s GLN 181 N -0.28 1.82 -0.19 4.30 2.00 0.42 -4.50 119.66 123.23 1sjm s GLN 181 Ca 0.14 -0.42 -0.18 0.00 -2.00 0.00 0.00 55.36 52.89 1sjm s GLN 181 Cb -0.12 -1.59 -0.03 0.00 0.80 0.00 0.00 33.01 32.07 1sjm s GLN 181 CO 0.03 -0.06 0.50 0.16 -0.50 0.00 0.00 175.29 175.42 1sjm s ASP 182 N 0.97 6.56 0.16 6.67 3.84 -1.26 -1.08 116.67 132.54 1sjm s ASP 182 Ca -0.08 0.67 0.09 0.00 -0.00 0.00 0.00 52.55 53.23 1sjm s ASP 182 Cb -0.15 -2.29 -0.04 0.00 -1.38 0.00 0.00 42.92 39.06 1sjm s ASP 182 CO -0.00 -0.15 -0.11 -0.36 -0.00 0.00 0.00 175.17 174.55 1sjm s PHE 183 N 1.48 2.63 -0.53 2.11 0.08 -0.26 -4.76 117.98 118.74 1sjm s PHE 183 Ca 0.24 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.12 1sjm s PHE 183 Cb -0.15 -1.32 0.18 0.00 -0.57 0.00 0.00 43.02 41.16 1sjm s PHE 183 CO 0.10 0.48 0.44 0.66 -0.10 0.00 0.00 175.22 176.79 1sjm n TYR 184 N 0.28 0.92 -3.27 0.36 4.02 -1.26 -0.93 117.16 117.28 1sjm n TYR 184 Ca -0.12 -3.74 -0.39 0.00 -0.01 0.00 0.00 57.90 53.63 1sjm n TYR 184 Cb 0.54 -0.16 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 1sjm n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1sjm s VAL 185 N -0.76 5.11 0.53 -0.72 1.01 -1.26 -4.74 120.40 119.57 1sjm s VAL 185 Ca 0.31 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 62.92 1sjm s VAL 185 Cb 0.03 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1sjm s VAL 185 CO -0.17 0.14 1.31 -2.65 0.00 0.00 0.00 175.10 173.74 1sjm n PRO 186 N 5.13 1.66 -4.43 2.72 -0.02 -1.26 -4.89 135.00 133.90 1sjm n PRO 186 Ca -0.05 0.61 -0.26 0.00 -2.02 0.00 0.00 63.50 61.77 1sjm n PRO 186 Cb 0.50 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 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 -2.78 1.54 0.41 -0.52 0.52 -1.26 -0.97 118.95 115.88 1sjm s ARG 187 Ca 0.71 -1.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 1sjm s ARG 187 Cb -0.43 -1.83 0.09 0.00 0.52 0.00 0.00 34.95 33.30 1sjm s ARG 187 CO 0.50 0.39 0.56 -0.40 0.02 0.00 0.00 175.30 176.37 1sjm n ASP 188 N 0.14 0.38 0.27 0.23 5.68 0.15 -4.86 116.55 118.54 1sjm n ASP 188 Ca -0.11 -1.41 0.16 0.00 -0.50 0.00 0.00 54.79 52.93 1sjm n ASP 188 Cb 0.57 -0.40 0.72 0.00 -1.14 0.00 0.00 41.12 40.87 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 -0.22 0.11 4.39 -2.02 -1.92 114.58 114.92 1sjm h GLU 189 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1sjm h GLU 189 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1sjm h GLU 189 CO 0.16 0.06 0.00 0.09 -1.16 0.00 0.00 179.01 178.16 1sjm n ASN 190 N -3.22 2.15 0.00 1.42 5.03 -1.26 -4.95 115.26 114.43 1sjm n ASN 190 Ca -0.00 -1.79 0.00 0.00 0.87 0.00 0.00 54.58 53.66 1sjm n ASN 190 Cb 0.29 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1sjm n ASN 190 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sjm n GLY 191 N 1.23 0.70 3.78 7.41 0.00 -0.72 -5.05 105.19 112.54 1sjm n GLY 191 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.27 4.54 0.26 1.61 1.02 -1.26 -4.79 119.74 120.84 1sjm s LYS 192 Ca 0.00 1.13 -0.30 0.00 0.02 0.00 0.00 55.97 56.82 1sjm s LYS 192 Cb 0.00 -3.23 -0.10 0.00 -0.52 0.00 0.00 37.83 33.98 1sjm s LYS 192 CO 0.00 0.56 1.39 0.71 -0.92 0.00 0.00 175.35 177.09 1sjm s TYR 193 N -1.18 3.06 0.34 3.18 1.51 -1.26 -0.68 117.35 122.33 1sjm s TYR 193 Ca 0.36 1.13 -0.19 0.00 -1.01 0.00 0.00 57.07 57.36 1sjm s TYR 193 Cb -0.23 -3.76 -0.10 0.00 -0.11 0.00 0.00 41.96 37.77 1sjm s TYR 193 CO 0.26 -2.39 0.83 0.15 -1.11 0.00 0.00 175.55 173.29 1sjm s LYS 194 N -0.59 4.19 0.18 -0.62 1.02 -0.14 -4.86 119.74 118.91 1sjm s LYS 194 Ca 0.57 0.93 0.10 0.00 0.02 0.00 0.00 55.97 57.58 1sjm s LYS 194 Cb -0.41 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1sjm s LYS 194 CO 0.44 0.15 -0.15 0.15 -0.92 0.00 0.00 175.35 175.02 1sjm s LYS 195 N -2.77 1.85 0.05 1.68 1.02 -1.26 -4.74 119.74 115.58 1sjm s LYS 195 Ca 0.54 -1.35 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 1sjm s LYS 195 Cb -0.12 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1sjm s LYS 195 CO 0.17 0.43 0.01 0.71 -0.92 0.00 0.00 175.35 175.75 1sjm s TYR 196 N -1.64 0.43 -0.41 3.18 2.02 -1.26 -5.07 117.35 114.60 1sjm s TYR 196 Ca 0.23 -0.94 0.12 0.00 -0.37 0.00 0.00 57.07 56.11 1sjm s TYR 196 Cb -0.09 -0.32 0.33 0.00 -0.40 0.00 0.00 41.96 41.49 1sjm s TYR 196 CO 0.13 -0.40 1.25 0.39 -1.57 0.00 0.00 175.55 175.36 1sjm n GLU 197 N 0.18 2.68 -3.55 -0.62 -0.58 -1.26 -4.96 120.64 112.54 1sjm n GLU 197 Ca -0.15 -2.31 -0.16 0.00 -0.42 0.00 0.00 57.16 54.13 1sjm n GLU 197 Cb 0.61 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.96 1sjm n GLU 197 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sjm s ALA 198 N -1.89 -1.80 0.23 0.62 0.00 -1.26 -5.06 121.76 112.60 1sjm s ALA 198 Ca 0.27 1.49 -0.08 0.00 0.00 0.00 0.00 51.96 53.64 1sjm s ALA 198 Cb 0.20 -0.33 0.22 0.00 0.00 0.00 0.00 23.12 23.21 1sjm s ALA 198 CO 0.09 -0.35 1.91 -1.00 0.00 0.00 0.00 175.76 176.40 1sjm h PRO 199 N 3.28 1.17 -0.03 0.00 0.13 -1.95 -2.35 132.00 132.24 1sjm h PRO 199 Ca -0.26 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1sjm h PRO 199 Cb 1.15 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1sjm h PRO 199 CO 0.32 0.77 -0.12 0.78 -0.23 0.00 0.00 178.00 179.51 1sjm h GLY 200 N 1.20 0.04 2.00 1.56 0.00 -2.00 -2.36 103.07 103.51 1sjm h GLY 200 Ca 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1sjm h GLY 200 CO -0.08 0.02 -0.12 -0.55 0.00 0.00 0.00 176.54 175.82 1sjm h ASP 201 N 0.04 0.00 0.59 0.19 3.32 -1.84 -2.65 116.42 116.08 1sjm h ASP 201 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1sjm h ASP 201 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1sjm h ASP 201 CO 0.02 0.12 -0.45 0.00 -1.72 0.00 0.00 179.24 177.20 1sjm n ALA 202 N -2.39 3.34 0.18 3.45 0.00 -0.89 -4.62 120.51 119.58 1sjm n ALA 202 Ca -0.02 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 1sjm n ALA 202 Cb 0.20 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.38 -0.61 0.00 5.03 -1.51 -0.33 116.97 118.18 1sjm h TYR 203 Ca 0.00 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1sjm h TYR 203 Cb 0.52 0.57 -0.03 0.00 1.55 0.00 0.00 36.73 39.34 1sjm h TYR 203 CO 0.00 -0.60 0.33 0.93 -1.32 0.00 0.00 178.16 177.50 1sjm h GLU 204 N -0.82 0.86 -0.71 1.82 5.08 -1.82 -0.66 114.58 118.33 1sjm h GLU 204 Ca -0.02 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1sjm h GLU 204 Cb 0.78 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1sjm h GLU 204 CO -0.19 0.66 0.16 -0.44 -1.00 0.00 0.00 179.01 178.21 1sjm h ASP 205 N 0.83 1.08 -0.42 1.42 3.45 -1.82 -2.79 116.42 118.17 1sjm h ASP 205 Ca 0.21 -0.24 -0.12 0.00 0.43 0.00 0.00 57.03 57.32 1sjm h ASP 205 Cb 0.06 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 1sjm h ASP 205 CO -0.03 1.04 -0.19 0.74 -1.57 0.00 0.00 179.24 179.23 1sjm h THR 206 N 1.07 1.28 -0.91 0.35 2.02 -0.51 -2.97 112.91 113.24 1sjm h THR 206 Ca 0.22 -1.33 0.04 0.00 0.77 0.00 0.00 66.41 66.11 1sjm h THR 206 Cb 0.39 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 1sjm h THR 206 CO 0.00 0.45 0.60 0.58 0.37 0.00 0.00 175.52 177.52 1sjm h VAL 207 N 0.70 1.14 -0.78 3.16 2.07 -1.02 0.64 116.25 122.16 1sjm h VAL 207 Ca 0.10 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1sjm h VAL 207 Cb 0.75 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1sjm h VAL 207 CO 0.06 0.20 0.51 0.50 0.02 0.00 0.00 177.57 178.86 1sjm h LYS 208 N 1.12 0.98 -0.27 1.57 3.64 -1.35 -1.35 116.57 120.92 1sjm h LYS 208 Ca 0.37 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.56 1sjm h LYS 208 Cb 0.05 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1sjm h LYS 208 CO -0.12 0.65 -0.34 0.28 -2.27 0.00 0.00 179.45 177.66 1sjm h VAL 209 N 1.01 1.30 -0.80 2.00 2.07 -1.18 -3.13 116.25 117.53 1sjm h VAL 209 Ca 0.30 -1.52 0.12 0.00 0.82 0.00 0.00 66.70 66.42 1sjm h VAL 209 Cb -0.05 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 1sjm h VAL 209 CO -0.09 0.48 0.41 0.24 0.02 0.00 0.00 177.57 178.64 1sjm h MET 210 N 0.44 0.63 0.00 1.57 2.86 -0.55 -1.71 114.93 118.18 1sjm h MET 210 Ca 0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sjm h MET 210 Cb 0.92 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1sjm h MET 210 CO 0.08 0.42 0.00 0.00 1.06 0.00 0.00 176.91 178.47 1sjm h ARG 211 N 0.65 0.00 0.00 1.72 3.08 -1.19 -0.25 114.38 118.38 1sjm h ARG 211 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1sjm h ARG 211 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1sjm h ARG 211 CO -0.31 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.84 1sjm n THR 212 N -2.38 0.71 -1.90 2.04 -2.24 -0.64 -4.90 114.28 104.97 1sjm n THR 212 Ca 0.01 0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.72 1sjm n THR 212 Cb 0.22 -0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 67.49 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 -1.87 -1.54 -3.88 3.22 4.77 -0.11 -4.94 117.00 112.66 1sjm n LEU 213 Ca 0.04 0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 56.01 1sjm n LEU 213 Cb 0.26 -2.70 -0.15 0.00 -2.33 0.00 0.00 43.42 38.50 1sjm n LEU 213 CO 0.21 -0.67 -0.33 -0.89 -1.33 0.00 0.00 177.39 174.37 1sjm s THR 214 N -2.74 1.59 0.53 -5.08 2.01 -1.26 -5.11 115.64 105.58 1sjm s THR 214 Ca 0.00 -1.87 -0.21 0.00 0.31 0.00 0.00 61.69 59.92 1sjm s THR 214 Cb 0.00 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1sjm s THR 214 CO 0.00 -0.62 1.28 -2.16 -0.69 0.00 0.00 174.62 172.42 1sjm s PRO 215 N 1.26 3.25 0.23 4.92 0.04 -1.26 -4.92 135.00 138.52 1sjm s PRO 215 Ca 0.10 2.03 0.12 0.00 0.04 0.00 0.00 61.00 63.29 1sjm s PRO 215 Cb -0.18 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1sjm s PRO 215 CO -0.16 -1.04 1.40 1.79 0.04 0.00 0.00 177.00 179.04 1sjm h THR 216 N 1.42 1.17 -3.51 1.26 1.35 -1.39 -3.46 112.91 109.76 1sjm h THR 216 Ca -0.50 -2.61 -0.19 0.00 -0.55 0.00 0.00 66.41 62.56 1sjm h THR 216 Cb 1.29 2.55 -0.25 0.00 -1.73 0.00 0.00 68.15 70.00 1sjm h THR 216 CO 0.57 0.66 -0.58 -1.00 -0.25 0.00 0.00 175.52 174.92 1sjm s HIS 217 N -2.91 -0.06 -0.16 4.73 3.76 -1.16 -4.87 115.29 114.61 1sjm s HIS 217 Ca 0.03 0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 55.07 1sjm s HIS 217 Cb 0.09 0.01 0.05 0.00 1.11 0.00 0.00 32.58 33.83 1sjm s HIS 217 CO 0.77 -0.11 0.02 0.08 -0.85 0.00 0.00 174.74 174.64 1sjm s VAL 218 N -0.32 0.56 0.08 -0.90 1.01 -0.43 -1.10 120.40 119.31 1sjm s VAL 218 Ca -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1sjm s VAL 218 Cb -0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1sjm s VAL 218 CO 0.00 -0.04 -0.07 0.68 0.00 0.00 0.00 175.10 175.67 1sjm s VAL 219 N 1.86 0.68 -0.10 2.92 -7.23 -0.24 -0.47 120.40 117.82 1sjm s VAL 219 Ca 0.01 -1.69 -0.05 0.00 -1.81 0.00 0.00 61.98 58.44 1sjm s VAL 219 Cb -0.16 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1sjm s VAL 219 CO -0.07 -0.72 0.10 -0.36 -0.31 0.00 0.00 175.10 173.74 1sjm s PHE 220 N -2.93 3.47 -1.44 2.82 0.08 -1.26 -0.44 117.98 118.28 1sjm s PHE 220 Ca 0.06 0.42 -0.09 0.00 0.12 0.00 0.00 56.93 57.43 1sjm s PHE 220 Cb 0.01 -1.89 0.05 0.00 -0.57 0.00 0.00 43.02 40.62 1sjm s PHE 220 CO -0.03 0.66 0.72 -1.71 -0.10 0.00 0.00 175.22 174.76 1sjm n ASN 221 N 1.93 -4.97 0.00 1.36 2.85 -0.74 -2.97 115.26 112.72 1sjm n ASN 221 Ca -0.19 -0.48 0.00 0.00 -0.11 0.00 0.00 54.58 53.80 1sjm n ASN 221 Cb 0.54 -4.01 0.00 0.00 1.24 0.00 0.00 39.78 37.55 1sjm n ASN 221 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sjm n GLY 222 N -1.49 1.64 3.50 8.20 0.00 -1.05 -4.78 105.19 111.20 1sjm n GLY 222 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.40 -1.75 0.21 4.61 0.00 -1.16 -4.57 121.76 115.71 1sjm s ALA 223 Ca 0.00 1.17 -0.32 0.00 0.00 0.00 0.00 51.96 52.81 1sjm s ALA 223 Cb 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 23.12 23.13 1sjm s ALA 223 CO 0.00 -0.45 1.56 0.28 0.00 0.00 0.00 175.76 177.16 1sjm n VAL 224 N 0.65 0.42 -0.98 0.00 0.31 0.40 -1.82 118.33 117.30 1sjm n VAL 224 Ca -0.18 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1sjm n VAL 224 Cb 0.59 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 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 2.98 0.30 0.10 2.92 0.00 -1.26 -4.82 105.19 105.40 1sjm n GLY 225 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 0.13 -0.60 4.61 0.00 -1.57 -2.78 119.26 119.05 1sjm h ALA 226 Ca 0.00 0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.44 1sjm h ALA 226 Cb 0.41 0.14 -0.19 0.00 0.00 0.00 0.00 17.79 18.15 1sjm h ALA 226 CO 0.00 -0.47 0.50 1.28 0.00 0.00 0.00 179.25 180.56 1sjm n LEU 227 N -5.19 6.63 -4.24 0.00 4.77 -1.26 -4.45 117.00 113.26 1sjm n LEU 227 Ca -0.03 -4.18 -0.14 0.00 -0.03 0.00 0.00 56.01 51.63 1sjm n LEU 227 Cb 0.12 -1.21 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 1sjm n LEU 227 CO 0.25 1.74 -0.29 0.42 -1.33 0.00 0.00 177.39 178.17 1sjm s THR 228 N -2.64 0.47 0.00 -5.08 -4.23 -1.05 -0.84 115.64 102.26 1sjm s THR 228 Ca 0.58 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1sjm s THR 228 Cb 0.39 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1sjm s THR 228 CO -0.25 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1sjm n GLY 229 N -0.29 3.05 0.33 3.99 0.00 -1.26 -1.25 105.19 109.76 1sjm n GLY 229 Ca -0.03 0.27 0.20 0.00 0.00 0.00 0.00 46.02 46.46 1sjm n GLY 229 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sjm h ASP 230 N 0.00 0.00 -0.08 1.61 2.03 -1.96 -2.29 116.42 115.74 1sjm h ASP 230 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sjm h ASP 230 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1sjm h ASP 230 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1sjm n LYS 231 N -3.34 1.95 -1.72 4.15 5.02 -0.38 -5.01 118.16 118.82 1sjm n LYS 231 Ca -0.03 -2.48 -0.42 0.00 -2.02 0.00 0.00 58.31 53.36 1sjm n LYS 231 Cb 0.08 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 1sjm n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sjm n ALA 232 N -1.02 1.68 -1.75 7.82 0.00 -0.86 -3.92 120.51 122.45 1sjm n ALA 232 Ca 0.15 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 1sjm n ALA 232 Cb 0.64 -2.32 -0.02 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 -1.75 3.66 0.11 0.00 -1.94 -0.37 -4.84 119.30 114.16 1sjm s MET 233 Ca 0.56 1.18 0.07 0.00 -1.71 0.00 0.00 55.69 55.79 1sjm s MET 233 Cb -0.54 -2.08 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 1sjm s MET 233 CO 0.61 -0.53 -0.16 0.95 -0.01 0.00 0.00 175.02 175.88 1sjm s THR 234 N -2.35 1.44 0.39 2.05 -4.23 -1.26 -0.49 115.64 111.18 1sjm s THR 234 Ca 0.63 -1.59 -0.15 0.00 -1.18 0.00 0.00 61.69 59.40 1sjm s THR 234 Cb -0.14 -1.46 0.05 0.00 1.34 0.00 0.00 72.50 72.30 1sjm s THR 234 CO 0.29 -0.26 0.78 0.00 -0.54 0.00 0.00 174.62 174.90 1sjm s ALA 235 N -1.65 -0.70 0.11 3.99 0.00 -0.94 -4.94 121.76 117.63 1sjm s ALA 235 Ca 0.06 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1sjm s ALA 235 Cb -0.08 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1sjm s ALA 235 CO 0.04 -0.98 -0.14 0.00 0.00 0.00 0.00 175.76 174.68 1sjm s ALA 236 N -2.31 1.37 0.18 0.00 0.00 -1.26 -1.64 121.76 118.09 1sjm s ALA 236 Ca 0.16 -1.21 -0.33 0.00 0.00 0.00 0.00 51.96 50.58 1sjm s ALA 236 Cb -0.05 -0.07 -0.14 0.00 0.00 0.00 0.00 23.12 22.86 1sjm s ALA 236 CO 0.12 0.10 1.45 0.28 0.00 0.00 0.00 175.76 177.71 1sjm n VAL 237 N 0.73 0.40 0.00 0.00 0.31 0.01 -1.15 118.33 118.63 1sjm n VAL 237 Ca -0.17 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1sjm n VAL 237 Cb 0.56 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 2.74 2.59 3.77 2.92 0.00 0.30 -4.99 105.19 112.52 1sjm n GLY 238 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1sjm n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjm s GLU 239 N -0.72 4.65 -0.23 1.61 2.02 -0.30 -4.79 118.70 120.94 1sjm s GLU 239 Ca 0.00 1.46 -0.10 0.00 0.02 0.00 0.00 54.97 56.35 1sjm s GLU 239 Cb 0.00 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 1sjm s GLU 239 CO 0.00 0.32 0.14 0.15 0.02 0.00 0.00 175.26 175.89 1sjm s LYS 240 N -1.71 4.01 -0.05 1.61 1.02 -1.26 -1.50 119.74 121.86 1sjm s LYS 240 Ca 0.47 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 56.20 1sjm s LYS 240 Cb -0.23 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1sjm s LYS 240 CO 0.29 0.05 -0.17 0.08 -0.92 0.00 0.00 175.35 174.69 1sjm s VAL 241 N 1.05 1.44 -0.23 3.17 1.01 0.05 -0.20 120.40 126.70 1sjm s VAL 241 Ca 0.07 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1sjm s VAL 241 Cb -0.14 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1sjm s VAL 241 CO 0.04 0.42 0.13 -0.22 0.00 0.00 0.00 175.10 175.47 1sjm s LEU 242 N 0.18 4.01 -0.33 3.92 2.96 -0.33 -1.34 118.68 127.75 1sjm s LEU 242 Ca -0.07 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1sjm s LEU 242 Cb -0.13 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.55 1sjm s LEU 242 CO 0.03 0.09 0.07 -0.63 -1.32 0.00 0.00 176.35 174.59 1sjm s ILE 243 N 0.91 3.39 -0.03 6.68 1.01 0.50 -1.35 121.20 132.31 1sjm s ILE 243 Ca 0.07 -1.36 -0.21 0.00 0.00 0.00 0.00 60.65 59.15 1sjm s ILE 243 Cb -0.13 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 1sjm s ILE 243 CO 0.03 -0.22 0.61 -0.69 0.00 0.00 0.00 174.94 174.68 1sjm s VAL 244 N 1.31 4.97 -0.04 2.92 1.01 -0.16 -1.36 120.40 129.05 1sjm s VAL 244 Ca -0.02 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1sjm s VAL 244 Cb -0.20 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1sjm s VAL 244 CO 0.00 0.37 -0.07 -2.28 0.00 0.00 0.00 175.10 173.12 1sjm s HIS 245 N 0.15 0.90 0.15 5.22 2.46 -0.37 -0.30 115.29 123.48 1sjm s HIS 245 Ca 0.32 -0.27 0.07 0.00 0.47 0.00 0.00 55.06 55.65 1sjm s HIS 245 Cb -0.18 -0.73 -0.04 0.00 -0.13 0.00 0.00 32.58 31.51 1sjm s HIS 245 CO 0.17 -0.18 -0.15 -1.54 -2.47 0.00 0.00 174.74 170.56 1sjm s SER 246 N 0.71 2.25 -0.25 9.88 1.04 -0.76 -0.82 113.70 125.76 1sjm s SER 246 Ca -0.11 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.43 1sjm s SER 246 Cb -0.14 -0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.02 1sjm s SER 246 CO 0.01 -0.13 0.37 -1.58 0.98 0.00 0.00 173.24 172.89 1sjm s GLN 247 N -2.90 0.34 0.21 4.02 -0.44 -0.79 -1.35 119.66 118.75 1sjm s GLN 247 Ca 0.13 0.46 0.26 0.00 -2.50 0.00 0.00 55.36 53.72 1sjm s GLN 247 Cb -0.04 -0.52 0.83 0.00 -1.64 0.00 0.00 33.01 31.64 1sjm s GLN 247 CO 0.04 -0.68 1.78 0.00 0.50 0.00 0.00 175.29 176.93 1sjm n ALA 248 N 5.36 2.25 0.00 1.58 0.00 -1.26 -0.40 120.51 128.04 1sjm n ALA 248 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1sjm n ALA 248 Cb 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1sjm n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sjm n ASN 249 N -2.24 2.72 -3.74 0.00 5.15 -1.26 -2.97 115.26 112.92 1sjm n ASN 249 Ca 0.05 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.90 1sjm n ASN 249 Cb 0.42 0.49 -0.09 0.00 -0.53 0.00 0.00 39.78 40.06 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 -1.18 0.62 0.67 1.20 3.52 -1.26 -4.68 118.95 117.84 1sjm s ARG 250 Ca 0.00 0.09 -0.17 0.00 -0.13 0.00 0.00 55.73 55.52 1sjm s ARG 250 Cb 0.00 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 1sjm s ARG 250 CO 0.00 -0.15 1.25 -0.51 -0.81 0.00 0.00 175.30 175.08 1sjm s ASP 251 N -0.80 4.53 0.14 -2.12 -0.00 -1.26 -3.58 116.67 113.59 1sjm s ASP 251 Ca -0.09 2.51 -0.04 0.00 -0.00 0.00 0.00 52.55 54.93 1sjm s ASP 251 Cb -0.04 -2.61 -0.03 0.00 -0.00 0.00 0.00 42.92 40.25 1sjm s ASP 251 CO 0.03 -2.04 0.14 0.28 -0.00 0.00 0.00 175.17 173.58 1sjm s THR 252 N -1.61 0.09 -0.43 -1.27 -1.32 -0.38 -4.84 115.64 105.88 1sjm s THR 252 Ca 0.79 -1.69 0.04 0.00 -1.21 0.00 0.00 61.69 59.62 1sjm s THR 252 Cb -0.34 -1.94 0.17 0.00 -1.51 0.00 0.00 72.50 68.89 1sjm s THR 252 CO 0.41 -0.42 0.35 0.00 -2.21 0.00 0.00 174.62 172.74 1sjm s ARG 253 N -4.01 1.02 0.58 7.08 1.70 -1.26 -1.34 118.95 122.72 1sjm s ARG 253 Ca 0.20 -2.18 -0.19 0.00 -0.47 0.00 0.00 55.73 53.09 1sjm s ARG 253 Cb 0.06 -1.58 -0.04 0.00 -0.57 0.00 0.00 34.95 32.82 1sjm s ARG 253 CO 0.00 -1.37 1.20 -2.14 -1.08 0.00 0.00 175.30 171.91 1sjm s PRO 254 N -0.03 3.07 -0.21 3.89 0.02 -1.03 -0.66 135.00 140.05 1sjm s PRO 254 Ca 0.32 1.80 -0.13 0.00 0.02 0.00 0.00 61.00 63.01 1sjm s PRO 254 Cb 0.02 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.64 1sjm s PRO 254 CO -0.19 -1.12 0.52 -1.58 -0.33 0.00 0.00 177.00 174.30 1sjm s HIS 255 N -1.61 -0.76 -0.46 6.54 2.46 -0.21 -1.64 115.29 119.60 1sjm s HIS 255 Ca 0.76 1.60 -0.17 0.00 0.47 0.00 0.00 55.06 57.72 1sjm s HIS 255 Cb -0.29 0.39 0.05 0.00 -0.13 0.00 0.00 32.58 32.59 1sjm s HIS 255 CO 0.32 -0.40 0.48 -1.17 -2.47 0.00 0.00 174.74 171.50 1sjm s LEU 256 N 1.35 5.14 -0.18 8.88 2.96 -1.26 -0.92 118.68 134.66 1sjm s LEU 256 Ca -0.09 -0.96 -0.29 0.00 -0.22 0.00 0.00 54.13 52.57 1sjm s LEU 256 Cb -0.07 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 1sjm s LEU 256 CO -0.14 -0.70 1.38 -0.63 -1.32 0.00 0.00 176.35 174.95 1sjm s ILE 257 N 2.12 4.06 0.00 6.68 1.01 0.11 -1.03 121.20 134.15 1sjm s ILE 257 Ca 0.10 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1sjm s ILE 257 Cb -0.20 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1sjm s ILE 257 CO 0.11 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1sjm n GLY 258 N 3.98 0.67 0.00 6.18 0.00 -1.26 -3.65 105.19 111.12 1sjm n GLY 258 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 6.26 3.50 -0.02 0.00 -0.20 -5.01 105.19 107.72 1sjm n GLY 259 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 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 0.46 0.69 -0.51 1.61 0.09 -1.26 -4.75 115.29 111.63 1sjm s HIS 260 Ca 0.00 -1.00 -0.12 0.00 -0.00 0.00 0.00 55.06 53.93 1sjm s HIS 260 Cb 0.00 0.01 0.13 0.00 -0.00 0.00 0.00 32.58 32.71 1sjm s HIS 260 CO 0.00 -1.00 0.43 0.20 -0.00 0.00 0.00 174.74 174.37 1sjm s GLY 261 N -3.11 2.08 0.19 -2.22 0.00 -0.15 -4.73 107.32 99.37 1sjm s GLY 261 Ca 0.27 -2.56 -0.13 0.00 0.00 0.00 0.00 44.72 42.31 1sjm s GLY 261 CO 0.13 1.15 1.84 -0.55 0.00 0.00 0.00 173.10 175.68 1sjm h ASP 262 N 8.63 0.65 -3.42 1.64 3.32 -1.39 -0.13 116.42 125.72 1sjm h ASP 262 Ca -0.24 -0.01 -0.48 0.00 0.02 0.00 0.00 57.03 56.32 1sjm h ASP 262 Cb 1.08 -0.15 -0.34 0.00 0.22 0.00 0.00 39.33 40.14 1sjm h ASP 262 CO 0.94 0.46 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.81 1sjm s TYR 263 N -6.14 1.21 -0.13 4.55 1.51 -0.93 -1.76 117.35 115.66 1sjm s TYR 263 Ca -0.13 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1sjm s TYR 263 Cb 0.13 -0.94 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1sjm s TYR 263 CO 0.75 -0.26 -0.03 0.08 -1.11 0.00 0.00 175.55 174.98 1sjm s VAL 264 N 0.83 0.79 -1.17 0.71 1.01 0.60 -0.38 120.40 122.79 1sjm s VAL 264 Ca -0.12 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1sjm s VAL 264 Cb -0.15 -0.97 0.11 0.00 0.00 0.00 0.00 36.38 35.37 1sjm s VAL 264 CO 0.02 0.18 1.49 0.26 0.00 0.00 0.00 175.10 177.05 1sjm s TRP 265 N 1.78 3.04 0.34 5.22 0.51 -0.02 -0.64 118.94 129.17 1sjm s TRP 265 Ca 0.03 -1.64 0.08 0.00 -2.12 0.00 0.00 56.10 52.45 1sjm s TRP 265 Cb -0.14 -4.53 0.63 0.00 -0.81 0.00 0.00 33.47 28.62 1sjm s TRP 265 CO -0.07 -1.64 1.81 0.00 -0.51 0.00 0.00 176.95 176.54 1sjm h ALA 266 N 7.99 1.32 -0.00 0.98 0.00 -1.90 0.28 119.26 127.92 1sjm h ALA 266 Ca 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sjm h ALA 266 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sjm h ALA 266 CO 1.33 0.47 -0.03 0.25 0.00 0.00 0.00 179.25 181.27 1sjm n THR 267 N -4.15 0.00 -0.98 0.00 -2.24 -1.26 -4.54 114.28 101.10 1sjm n THR 267 Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1sjm n THR 267 Cb 0.37 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 1.47 0.69 3.35 3.38 0.00 0.05 -4.75 105.19 109.38 1sjm n GLY 268 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 3.44 0.34 1.61 -0.14 -1.26 -0.24 119.74 123.39 1sjm s LYS 269 Ca 0.00 -0.60 0.27 0.00 -1.36 0.00 0.00 55.97 54.27 1sjm s LYS 269 Cb 0.00 -3.01 0.93 0.00 -1.68 0.00 0.00 37.83 34.08 1sjm s LYS 269 CO 0.00 -0.12 1.78 0.74 -0.76 0.00 0.00 175.35 176.99 1sjm h PHE 270 N 7.88 0.00 -0.00 3.18 0.05 -1.75 -2.04 116.94 124.26 1sjm h PHE 270 Ca -0.39 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.40 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 -0.14 0.09 -0.18 0.00 0.00 178.31 178.67 1sjm n ASN 271 N -2.58 0.35 -4.59 2.17 3.02 -1.26 -4.60 115.26 107.76 1sjm n ASN 271 Ca 0.03 -0.28 -0.41 0.00 -0.03 0.00 0.00 54.58 53.90 1sjm n ASN 271 Cb 0.35 -0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 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 -2.67 5.04 0.42 3.41 2.01 -0.77 -5.05 115.64 118.03 1sjm s THR 272 Ca 0.23 0.66 -0.25 0.00 0.31 0.00 0.00 61.69 62.64 1sjm s THR 272 Cb 0.19 -3.89 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 1sjm s THR 272 CO 0.52 -0.05 1.21 -2.65 -0.69 0.00 0.00 174.62 172.95 1sjm n PRO 273 N 5.66 1.78 -2.44 4.92 -0.02 -1.26 -4.83 135.00 138.81 1sjm n PRO 273 Ca -0.04 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 1sjm n PRO 273 Cb 0.49 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 -2.14 3.98 0.76 0.52 0.04 -1.26 -4.92 135.00 131.97 1sjm s PRO 274 Ca 0.61 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 1sjm s PRO 274 Cb -0.53 -2.44 0.05 0.00 0.04 0.00 0.00 34.50 31.63 1sjm s PRO 274 CO 0.58 -0.32 1.10 -0.51 0.04 0.00 0.00 177.00 177.89 1sjm s ASP 275 N -1.55 4.47 0.11 6.66 1.01 0.18 -4.76 116.67 122.81 1sjm s ASP 275 Ca 0.61 1.90 0.06 0.00 0.71 0.00 0.00 52.55 55.83 1sjm s ASP 275 Cb -0.24 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1sjm s ASP 275 CO 0.29 -2.06 -0.15 0.68 0.21 0.00 0.00 175.17 174.15 1sjm s VAL 276 N -2.75 1.33 -1.46 -1.27 -7.23 -1.26 -0.29 120.40 107.47 1sjm s VAL 276 Ca 0.63 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 59.11 1sjm s VAL 276 Cb -0.19 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.29 1sjm s VAL 276 CO 0.53 -0.36 0.55 0.47 -0.31 0.00 0.00 175.10 175.98 1sjm n ASP 277 N 0.67 -5.82 -4.75 4.85 10.43 -0.72 -4.93 116.55 116.27 1sjm n ASP 277 Ca -0.16 -0.26 -0.41 0.00 2.57 0.00 0.00 54.79 56.53 1sjm n ASP 277 Cb 0.56 -4.65 -0.04 0.00 1.84 0.00 0.00 41.12 38.83 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 -5.60 4.59 -0.18 -1.24 -1.52 -0.08 -4.84 119.66 110.80 1sjm s GLN 278 Ca 0.27 1.84 -0.23 0.00 -1.95 0.00 0.00 55.36 55.29 1sjm s GLN 278 Cb -0.12 -3.20 -0.22 0.00 -0.22 0.00 0.00 33.01 29.25 1sjm s GLN 278 CO 0.34 0.12 0.41 1.05 -0.25 0.00 0.00 175.29 176.96 1sjm h GLU 279 N 4.16 0.04 -3.19 2.91 4.11 -1.91 -0.38 114.58 120.31 1sjm h GLU 279 Ca -0.46 -0.06 -0.24 0.00 0.07 0.00 0.00 59.36 58.67 1sjm h GLU 279 Cb 1.21 0.02 -0.32 0.00 0.50 0.00 0.00 28.75 30.17 1sjm h GLU 279 CO 0.69 1.03 -0.58 0.99 0.07 0.00 0.00 179.01 181.21 1sjm s THR 280 N -2.34 -0.06 0.48 -1.06 2.01 -1.26 -4.37 115.64 109.03 1sjm s THR 280 Ca -0.25 0.18 0.06 0.00 0.31 0.00 0.00 61.69 62.00 1sjm s THR 280 Cb 0.03 -0.28 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 1sjm s THR 280 CO 0.64 0.08 0.31 -1.66 -0.69 0.00 0.00 174.62 173.30 1sjm s TRP 281 N 1.27 2.16 -0.05 4.92 -2.14 -0.65 -4.97 118.94 119.47 1sjm s TRP 281 Ca -0.08 -0.70 0.00 0.00 2.66 0.00 0.00 56.10 57.97 1sjm s TRP 281 Cb -0.11 -1.96 0.02 0.00 -3.10 0.00 0.00 33.47 28.32 1sjm s TRP 281 CO -0.07 -0.16 -0.02 0.12 -2.66 0.00 0.00 176.95 174.16 1sjm s PHE 282 N -2.67 0.66 -0.19 1.66 5.36 -1.26 -2.46 117.98 119.08 1sjm s PHE 282 Ca 0.37 -0.17 0.01 0.00 -0.96 0.00 0.00 56.93 56.19 1sjm s PHE 282 Cb -0.00 -0.69 0.03 0.00 -0.34 0.00 0.00 43.02 42.02 1sjm s PHE 282 CO 0.22 -0.24 -0.14 0.42 -1.46 0.00 0.00 175.22 174.02 1sjm s ILE 283 N 1.35 1.84 0.53 3.12 1.01 -0.45 -4.74 121.20 123.86 1sjm s ILE 283 Ca -0.05 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.41 1sjm s ILE 283 Cb -0.13 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 1sjm s ILE 283 CO -0.02 0.32 1.09 -2.16 0.00 0.00 0.00 174.94 174.16 1sjm s PRO 284 N 1.34 3.50 0.20 2.79 0.04 -1.26 -1.25 135.00 140.36 1sjm s PRO 284 Ca 0.01 1.47 -0.32 0.00 0.04 0.00 0.00 61.00 62.19 1sjm s PRO 284 Cb -0.15 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 1sjm s PRO 284 CO -0.10 -0.70 1.31 0.41 0.04 0.00 0.00 177.00 177.97 1sjm n GLY 285 N -0.14 0.49 0.90 0.56 0.00 -1.23 -1.93 105.19 103.84 1sjm n GLY 285 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 2.18 0.74 3.29 -0.02 0.00 0.47 -4.74 105.19 107.10 1sjm n GLY 286 Ca 0.13 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 0.33 0.15 4.61 0.00 -0.81 -4.75 121.76 119.28 1sjm s ALA 287 Ca 0.00 -1.12 0.10 0.00 0.00 0.00 0.00 51.96 50.94 1sjm s ALA 287 Cb 0.00 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 1sjm s ALA 287 CO 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 175.76 174.96 1sjm s ALA 288 N -4.01 2.66 0.28 0.00 0.00 -1.26 -1.89 121.76 117.55 1sjm s ALA 288 Ca 0.21 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1sjm s ALA 288 Cb 0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1sjm s ALA 288 CO 0.02 0.53 0.13 0.20 0.00 0.00 0.00 175.76 176.64 1sjm s GLY 289 N -2.37 1.90 -0.08 0.00 0.00 -0.00 -3.09 107.32 103.67 1sjm s GLY 289 Ca 0.19 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 43.05 1sjm s GLY 289 CO 0.10 -1.59 0.21 0.00 0.00 0.00 0.00 173.10 171.82 1sjm s ALA 290 N -3.68 -0.51 -0.03 3.20 0.00 -0.99 -1.24 121.76 118.51 1sjm s ALA 290 Ca 0.36 0.65 0.05 0.00 0.00 0.00 0.00 51.96 53.02 1sjm s ALA 290 Cb 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1sjm s ALA 290 CO 0.15 -0.11 -0.17 0.00 0.00 0.00 0.00 175.76 175.62 1sjm s ALA 291 N 0.30 1.51 -0.14 0.00 0.00 -0.46 -0.84 121.76 122.13 1sjm s ALA 291 Ca -0.02 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 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 0.32 -0.11 0.12 0.00 0.00 0.00 175.76 176.07 1sjm s PHE 292 N -0.16 2.86 -0.02 0.00 2.19 0.48 -0.37 117.98 122.95 1sjm s PHE 292 Ca 0.01 -0.62 -0.03 0.00 0.33 0.00 0.00 56.93 56.62 1sjm s PHE 292 Cb -0.09 -1.88 0.01 0.00 -1.31 0.00 0.00 43.02 39.74 1sjm s PHE 292 CO 0.01 -0.22 0.08 -0.47 1.83 0.00 0.00 175.22 176.45 1sjm s TYR 293 N 0.44 -0.05 -0.31 10.12 5.04 -0.45 -1.07 117.35 131.07 1sjm s TYR 293 Ca -0.08 0.14 -0.11 0.00 -2.44 0.00 0.00 57.07 54.58 1sjm s TYR 293 Cb -0.15 0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.15 1sjm s TYR 293 CO 0.04 -0.07 0.18 0.99 -1.34 0.00 0.00 175.55 175.36 1sjm s THR 294 N -0.15 4.87 0.29 4.34 2.01 -1.26 -0.77 115.64 124.97 1sjm s THR 294 Ca -0.02 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.41 1sjm s THR 294 Cb -0.02 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 1sjm s THR 294 CO 0.00 0.08 1.41 -0.36 -0.69 0.00 0.00 174.62 175.06 1sjm s PHE 295 N 1.66 2.97 0.00 4.92 0.40 -0.57 -4.89 117.98 122.47 1sjm s PHE 295 Ca 0.05 1.15 0.00 0.00 -0.60 0.00 0.00 56.93 57.53 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 0.08 -2.51 0.02 1.04 0.70 0.00 0.00 175.22 174.55 1sjm n GLN 296 N 1.67 5.78 -4.18 0.44 6.02 -1.26 -0.54 117.38 125.31 1sjm n GLN 296 Ca 0.04 -0.02 -0.16 0.00 -0.01 0.00 0.00 57.00 56.86 1sjm n GLN 296 Cb 0.40 -0.45 -0.14 0.00 1.02 0.00 0.00 30.24 31.08 1sjm n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1sjm s GLN 297 N -0.83 0.53 0.81 -1.09 -1.52 -1.26 -4.59 119.66 111.71 1sjm s GLN 297 Ca 0.00 -0.39 -0.12 0.00 -1.95 0.00 0.00 55.36 52.91 1sjm s GLN 297 Cb 0.00 -0.47 0.08 0.00 -0.22 0.00 0.00 33.01 32.40 1sjm s GLN 297 CO 0.00 0.12 1.18 -1.25 -0.25 0.00 0.00 175.29 175.09 1sjm s PRO 298 N -0.56 1.98 0.00 2.91 0.04 -1.26 -4.77 135.00 133.34 1sjm s PRO 298 Ca -0.01 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1sjm s PRO 298 Cb -0.05 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1sjm s PRO 298 CO 0.00 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.86 1sjm n GLY 299 N -3.31 0.16 3.75 0.56 0.00 0.33 -4.94 105.19 101.74 1sjm n GLY 299 Ca 0.08 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.12 4.91 0.13 -0.61 1.01 -1.26 -1.22 121.20 124.03 1sjm s ILE 300 Ca 0.00 1.35 0.10 0.00 0.00 0.00 0.00 60.65 62.10 1sjm s ILE 300 Cb 0.00 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1sjm s ILE 300 CO 0.00 0.37 -0.21 -0.31 0.00 0.00 0.00 174.94 174.79 1sjm s TYR 301 N 0.08 2.45 0.01 3.97 1.51 -0.19 -4.99 117.35 120.19 1sjm s TYR 301 Ca 0.34 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1sjm s TYR 301 Cb -0.18 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1sjm s TYR 301 CO 0.18 0.38 0.02 0.00 -1.11 0.00 0.00 175.55 175.02 1sjm s ALA 302 N -1.16 3.36 -0.16 3.71 0.00 -1.24 -1.15 121.76 125.11 1sjm s ALA 302 Ca 0.17 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1sjm s ALA 302 Cb -0.10 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1sjm s ALA 302 CO 0.09 0.66 -0.15 -0.47 0.00 0.00 0.00 175.76 175.89 1sjm s TYR 303 N -1.14 2.34 0.10 0.00 5.04 0.33 0.06 117.35 124.08 1sjm s TYR 303 Ca 0.21 -1.36 0.02 0.00 -2.44 0.00 0.00 57.07 53.51 1sjm s TYR 303 Cb -0.12 -1.68 -0.04 0.00 0.35 0.00 0.00 41.96 40.48 1sjm s TYR 303 CO 0.12 -0.71 -0.07 0.14 -1.34 0.00 0.00 175.55 173.69 1sjm s VAL 304 N 1.43 0.76 -0.19 3.14 -7.23 -0.09 -0.55 120.40 117.66 1sjm s VAL 304 Ca 0.04 -1.92 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 1sjm s VAL 304 Cb -0.13 -1.66 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 1sjm s VAL 304 CO -0.11 -0.84 1.14 0.21 -0.31 0.00 0.00 175.10 175.20 1sjm s ASN 305 N -3.00 7.03 -0.08 4.85 3.84 -1.04 -1.05 114.94 125.49 1sjm s ASN 305 Ca 0.12 1.53 0.03 0.00 0.21 0.00 0.00 52.86 54.75 1sjm s ASN 305 Cb 0.04 -2.54 0.20 0.00 -0.55 0.00 0.00 41.25 38.40 1sjm s ASN 305 CO -0.04 -0.70 0.98 1.57 -2.79 0.00 0.00 177.10 176.12 1sjm n HIS 306 N 6.39 0.65 -2.74 0.43 -0.00 0.16 -3.82 115.22 116.29 1sjm n HIS 306 Ca 0.13 -0.43 -0.43 0.00 -0.00 0.00 0.00 57.72 56.99 1sjm n HIS 306 Cb 0.46 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.99 30.12 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 0.02 6.35 0.56 0.26 3.84 -1.26 -4.92 114.94 119.78 1sjm s ASN 307 Ca 0.15 -0.26 0.35 0.00 0.21 0.00 0.00 52.86 53.31 1sjm s ASN 307 Cb 0.12 -2.48 1.57 0.00 -0.55 0.00 0.00 41.25 39.91 1sjm s ASN 307 CO 0.04 -1.37 2.05 -0.07 -2.79 0.00 0.00 177.10 174.96 1sjm h LEU 308 N 11.44 0.00 -0.10 3.21 3.38 -1.99 0.10 115.31 131.34 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 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1sjm h LEU 308 CO 1.14 0.00 -0.06 0.40 0.09 0.00 0.00 178.44 180.01 1sjm h ILE 309 N 0.00 1.32 -0.88 1.22 2.04 -1.91 -0.46 117.51 118.85 1sjm h ILE 309 Ca 0.00 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 64.82 1sjm h ILE 309 Cb 0.39 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 1sjm h ILE 309 CO 0.00 0.31 0.55 -0.33 0.00 0.00 0.00 178.15 178.68 1sjm h GLU 310 N -0.14 1.01 -0.02 2.37 5.08 -1.43 0.43 114.58 121.88 1sjm h GLU 310 Ca 0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sjm h GLU 310 Cb 0.52 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1sjm h GLU 310 CO 0.02 0.67 -0.00 0.00 -1.00 0.00 0.00 179.01 178.69 1sjm h ALA 311 N 1.39 0.02 -0.00 3.43 0.00 -0.98 -1.28 119.26 121.85 1sjm h ALA 311 Ca 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sjm h ALA 311 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sjm h ALA 311 CO -0.15 -0.30 -0.34 1.19 0.00 0.00 0.00 179.25 179.64 1sjm n PHE 312 N -4.91 0.00 -0.08 0.00 3.01 -0.19 -2.27 117.46 113.02 1sjm n PHE 312 Ca -0.08 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.27 1sjm n PHE 312 Cb 0.19 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.06 0.68 -0.00 -1.08 -0.58 0.05 -4.82 120.64 113.83 1sjm n GLU 313 Ca 0.02 0.08 0.09 0.00 -0.42 0.00 0.00 57.16 56.93 1sjm n GLU 313 Cb 0.13 -1.35 -0.11 0.00 -0.57 0.00 0.00 31.44 29.54 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 -2.92 0.74 0.00 -4.62 4.77 -0.63 -5.01 117.00 109.34 1sjm n LEU 314 Ca -0.29 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1sjm n LEU 314 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1sjm n LEU 314 CO 0.20 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1sjm n GLY 315 N 1.43 0.75 2.77 -0.72 0.00 -0.71 -1.31 105.19 107.40 1sjm n GLY 315 Ca 0.02 0.00 -0.42 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 5.72 -3.71 4.61 0.00 0.38 -4.28 120.51 123.23 1sjm n ALA 316 Ca 0.00 -4.24 -0.12 0.00 0.00 0.00 0.00 53.44 49.07 1sjm n ALA 316 Cb 0.00 -2.96 -0.13 0.00 0.00 0.00 0.00 19.45 16.36 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 0.17 -0.54 0.34 0.00 0.00 -1.25 -2.50 121.76 117.99 1sjm s ALA 317 Ca 0.43 0.96 0.08 0.00 0.00 0.00 0.00 51.96 53.43 1sjm s ALA 317 Cb 0.12 -0.61 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 1sjm s ALA 317 CO -0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 175.76 175.49 1sjm s ALA 318 N 1.21 2.82 0.11 0.00 0.00 0.28 -4.48 121.76 121.71 1sjm s ALA 318 Ca -0.09 -2.09 0.10 0.00 0.00 0.00 0.00 51.96 49.88 1sjm s ALA 318 Cb -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1sjm s ALA 318 CO -0.08 -0.02 -0.24 -1.01 0.00 0.00 0.00 175.76 174.41 1sjm s HIS 319 N -2.77 2.09 -0.04 0.00 3.76 -0.02 -0.51 115.29 117.81 1sjm s HIS 319 Ca 0.33 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 1sjm s HIS 319 Cb 0.05 -1.15 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1sjm s HIS 319 CO 0.16 0.27 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.18 1sjm s PHE 320 N -1.08 2.88 -0.21 1.40 0.08 -0.30 -1.24 117.98 119.51 1sjm s PHE 320 Ca 0.11 -0.03 -0.03 0.00 0.12 0.00 0.00 56.93 57.10 1sjm s PHE 320 Cb -0.10 -1.66 -0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1sjm s PHE 320 CO 0.05 0.33 -0.07 0.15 -0.10 0.00 0.00 175.22 175.58 1sjm s LYS 321 N -1.04 3.31 -0.12 0.44 1.02 0.36 -1.02 119.74 122.70 1sjm s LYS 321 Ca 0.14 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.50 1sjm s LYS 321 Cb -0.11 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 1sjm s LYS 321 CO 0.04 -0.18 -0.22 0.08 -0.92 0.00 0.00 175.35 174.15 1sjm s VAL 322 N 1.40 1.95 0.47 3.17 1.01 -0.36 -2.22 120.40 125.82 1sjm s VAL 322 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1sjm s VAL 322 Cb -0.14 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1sjm s VAL 322 CO -0.05 0.53 0.69 0.42 0.00 0.00 0.00 175.10 176.70 1sjm s THR 323 N 0.63 3.86 -2.02 3.92 -4.23 -0.65 -0.52 115.64 116.63 1sjm s THR 323 Ca -0.12 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1sjm s THR 323 Cb -0.16 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1sjm s THR 323 CO 0.03 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1sjm n GLY 324 N -2.13 0.59 3.78 3.99 0.00 -1.26 -0.81 105.19 109.35 1sjm n GLY 324 Ca 0.02 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1sjm n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjm s GLU 325 N -0.84 4.11 0.30 1.61 2.12 -1.26 -4.66 118.70 120.09 1sjm s GLU 325 Ca 0.00 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.40 1sjm s GLU 325 Cb 0.00 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.96 1sjm s GLU 325 CO 0.00 0.43 1.25 -0.46 -0.54 0.00 0.00 175.26 175.94 1sjm s TRP 326 N -0.23 3.22 -0.44 5.30 -0.11 -1.26 -4.41 118.94 121.01 1sjm s TRP 326 Ca 0.23 1.47 -0.09 0.00 1.22 0.00 0.00 56.10 58.93 1sjm s TRP 326 Cb -0.15 -3.56 0.10 0.00 -1.50 0.00 0.00 33.47 28.35 1sjm s TRP 326 CO 0.10 -1.51 0.29 1.21 -4.62 0.00 0.00 176.95 172.43 1sjm s ASN 327 N -0.49 5.65 0.50 5.86 3.84 -1.26 -4.96 114.94 124.08 1sjm s ASN 327 Ca 0.49 -1.70 0.29 0.00 0.21 0.00 0.00 52.86 52.15 1sjm s ASN 327 Cb -0.37 -1.99 0.92 0.00 -0.55 0.00 0.00 41.25 39.26 1sjm s ASN 327 CO 0.48 -0.60 1.82 0.44 -2.79 0.00 0.00 177.10 176.45 1sjm h ASP 328 N 8.41 0.00 0.04 -4.21 5.19 -1.96 -2.68 116.42 121.22 1sjm h ASP 328 Ca -0.22 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1sjm h ASP 328 Cb 1.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1sjm h ASP 328 CO 0.80 0.00 -0.02 -0.78 -3.12 0.00 0.00 179.24 176.12 1sjm h ASP 329 N 0.00 -0.05 -0.79 6.45 -0.00 -2.02 -3.18 116.42 116.83 1sjm h ASP 329 Ca 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.03 56.83 1sjm h ASP 329 Cb 0.72 0.01 -0.04 0.00 -0.00 0.00 0.00 39.33 40.03 1sjm h ASP 329 CO 0.00 0.15 0.42 -0.07 -0.00 0.00 0.00 179.24 179.74 1sjm h LEU 330 N -0.25 0.99 -7.03 2.28 3.38 -1.96 -3.44 115.31 109.29 1sjm h LEU 330 Ca -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1sjm h LEU 330 Cb 0.23 -0.25 -0.21 0.00 0.09 0.00 0.00 40.66 40.51 1sjm h LEU 330 CO 0.01 0.82 0.03 -0.32 0.09 0.00 0.00 178.44 179.07 1sjm s MET 331 N -5.81 0.73 -0.02 1.13 0.00 -1.02 -5.14 119.30 109.16 1sjm s MET 331 Ca -0.13 1.09 -0.11 0.00 0.00 0.00 0.00 55.69 56.54 1sjm s MET 331 Cb 0.15 0.24 0.01 0.00 0.00 0.00 0.00 34.83 35.24 1sjm s MET 331 CO 0.81 -0.13 0.23 -0.08 0.00 0.00 0.00 175.02 175.86 1sjm s THR 332 N 1.09 0.06 -0.67 10.11 -1.32 -1.25 -4.05 115.64 119.60 1sjm s THR 332 Ca -0.06 -0.48 -0.24 0.00 -1.21 0.00 0.00 61.69 59.70 1sjm s THR 332 Cb -0.05 -0.50 0.06 0.00 -1.51 0.00 0.00 72.50 70.49 1sjm s THR 332 CO -0.11 -0.27 1.04 -0.55 -2.21 0.00 0.00 174.62 172.53 1sjm s SER 333 N -1.12 6.18 0.18 8.08 0.15 -1.26 -4.89 113.70 121.03 1sjm s SER 333 Ca -0.12 -0.80 -0.08 0.00 0.70 0.00 0.00 55.95 55.64 1sjm s SER 333 Cb -0.06 -2.46 0.08 0.00 -1.71 0.00 0.00 66.02 61.88 1sjm s SER 333 CO 0.03 -1.52 1.62 0.58 1.20 0.00 0.00 173.24 175.14 1sjm h VAL 334 N 5.99 1.27 -3.17 4.45 2.07 -2.01 -3.40 116.25 121.44 1sjm h VAL 334 Ca -0.28 -1.23 -0.46 0.00 0.82 0.00 0.00 66.70 65.54 1sjm h VAL 334 Cb 1.07 0.93 -0.40 0.00 -1.52 0.00 0.00 31.29 31.36 1sjm h VAL 334 CO 1.20 0.44 -0.75 -0.22 0.02 0.00 0.00 177.57 178.25 1sjm s LEU 335 N -9.21 0.57 0.64 2.57 2.96 -1.26 -5.14 118.68 109.81 1sjm s LEU 335 Ca -0.11 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.11 1sjm s LEU 335 Cb 0.13 -0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 1sjm s LEU 335 CO 0.86 -0.31 1.18 0.00 -1.32 0.00 0.00 176.35 176.76 1sjm s ALA 336 N 2.05 2.41 -0.31 5.97 0.00 -1.26 -4.87 121.76 125.74 1sjm s ALA 336 Ca 0.02 0.87 -0.44 0.00 0.00 0.00 0.00 51.96 52.41 1sjm s ALA 336 Cb -0.15 -3.43 -0.19 0.00 0.00 0.00 0.00 23.12 19.35 1sjm s ALA 336 CO -0.08 -1.38 1.46 -2.30 0.00 0.00 0.00 175.76 173.47 1sjm n PRO 337 N -2.07 0.19 -3.46 0.00 -0.02 -1.26 -4.92 135.00 123.46 1sjm n PRO 337 Ca 0.13 0.07 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 1sjm n PRO 337 Cb 0.50 -1.60 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 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 2.14 -0.54 0.00 2.55 1.04 -1.26 -5.29 113.70 112.34 1sjm s SER 338 Ca 1.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1sjm s SER 338 Cb -1.36 0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1sjm s SER 338 CO 0.72 -0.83 0.34 0.61 0.98 0.00 0.00 173.24 175.05