#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgj n GLY 2 N 0.00 3.05 0.01 -1.84 0.00 -1.26 -4.73 105.19 100.42 2jgj n GLY 2 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.26 2jgj n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgj n ARG 3 N 0.00 0.65 -1.34 1.61 5.12 -1.26 -5.02 116.66 116.42 2jgj n ARG 3 Ca 0.00 -0.12 -0.30 0.00 -1.93 0.00 0.00 57.85 55.50 2jgj n ARG 3 Cb 0.00 -1.44 0.12 0.00 -1.16 0.00 0.00 32.46 29.98 2jgj n ARG 3 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2jgj s GLU 4 N -3.16 1.68 -0.20 5.56 2.02 -1.26 -4.95 118.70 118.39 2jgj s GLU 4 Ca -0.02 0.79 -0.29 0.00 0.02 0.00 0.00 54.97 55.47 2jgj s GLU 4 Cb 0.13 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 2jgj s GLU 4 CO 0.80 -1.94 1.97 0.34 0.02 0.00 0.00 175.26 176.45 2jgj s ASP 5 N -3.59 5.89 0.45 -0.19 -1.08 -1.26 -4.84 116.67 112.04 2jgj s ASP 5 Ca 0.62 1.84 0.31 0.00 -0.52 0.00 0.00 52.55 54.80 2jgj s ASP 5 Cb -0.17 -2.52 1.62 0.00 -1.46 0.00 0.00 42.92 40.39 2jgj s ASP 5 CO 0.56 -1.63 1.94 1.55 0.52 0.00 0.00 175.17 178.11 2jgj h PRO 6 N 13.04 0.00 -0.03 4.34 0.13 -1.97 -1.34 132.00 146.17 2jgj h PRO 6 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jgj h PRO 6 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jgj h PRO 6 CO 0.98 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.69 2jgj n GLN 7 N -2.60 1.57 -0.18 0.86 -0.06 -1.26 -3.77 117.38 111.93 2jgj n GLN 7 Ca -0.02 -0.83 0.06 0.00 -2.00 0.00 0.00 57.00 54.21 2jgj n GLN 7 Cb 0.08 -1.47 0.15 0.00 -4.06 0.00 0.00 30.24 24.95 2jgj n GLN 7 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2jgj n LEU 8 N 0.01 2.95 -4.31 1.69 4.77 -0.51 -4.86 117.00 116.75 2jgj n LEU 8 Ca 0.19 -2.04 -0.37 0.00 -0.03 0.00 0.00 56.01 53.76 2jgj n LEU 8 Cb 0.31 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.04 2jgj n LEU 8 CO 0.16 0.72 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.92 2jgj s LEU 9 N -1.07 4.05 0.06 2.23 1.43 -1.25 -1.37 118.68 122.76 2jgj s LEU 9 Ca 0.24 -0.91 0.06 0.00 -1.03 0.00 0.00 54.13 52.48 2jgj s LEU 9 Cb 0.13 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2jgj s LEU 9 CO 0.15 -0.25 -0.17 -0.69 0.23 0.00 0.00 176.35 175.62 2jgj s VAL 10 N 1.45 1.38 -0.15 -1.59 1.01 -0.65 -4.98 120.40 116.87 2jgj s VAL 10 Ca 0.01 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 2jgj s VAL 10 Cb -0.18 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2jgj s VAL 10 CO 0.02 -0.01 0.01 -0.60 0.00 0.00 0.00 175.10 174.53 2jgj s ARG 11 N -1.43 3.60 0.43 2.72 3.52 -1.26 0.53 118.95 127.05 2jgj s ARG 11 Ca 0.03 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.27 2jgj s ARG 11 Cb -0.09 -2.99 -0.07 0.00 -1.56 0.00 0.00 34.95 30.24 2jgj s ARG 11 CO 0.02 0.38 0.01 0.14 -0.81 0.00 0.00 175.30 175.04 2jgj s VAL 12 N 0.03 1.85 0.45 7.11 -7.23 0.09 -4.86 120.40 117.84 2jgj s VAL 12 Ca 0.03 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.44 2jgj s VAL 12 Cb -0.13 -2.86 0.44 0.00 0.56 0.00 0.00 36.38 34.39 2jgj s VAL 12 CO 0.02 0.00 1.79 -0.09 -0.31 0.00 0.00 175.10 176.51 2jgj h ARG 13 N 1.71 0.25 0.00 4.82 9.65 -1.95 0.17 114.38 129.03 2jgj h ARG 13 Ca -0.44 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2jgj h ARG 13 Cb 1.25 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2jgj h ARG 13 CO 0.80 0.17 -0.31 0.41 2.80 0.00 0.00 179.97 183.84 2jgj n GLY 14 N -1.57 -1.42 0.00 2.80 0.00 -1.26 -4.88 105.19 98.87 2jgj n GLY 14 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jgj n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgj n GLY 15 N 1.44 0.52 3.80 -0.02 0.00 0.60 -0.70 105.19 110.84 2jgj n GLY 15 Ca 0.06 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 2jgj n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jgj s GLN 16 N -2.00 4.32 0.03 1.61 -0.21 -1.25 -0.73 119.66 121.43 2jgj s GLN 16 Ca 0.00 0.91 0.06 0.00 0.02 0.00 0.00 55.36 56.35 2jgj s GLN 16 Cb 0.00 -3.07 -0.02 0.00 1.00 0.00 0.00 33.01 30.91 2jgj s GLN 16 CO 0.00 0.51 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.98 2jgj s LEU 17 N -1.54 2.14 -0.19 2.90 1.43 0.19 -0.61 118.68 122.99 2jgj s LEU 17 Ca 0.37 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2jgj s LEU 17 Cb -0.19 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.14 2jgj s LEU 17 CO 0.22 0.15 -0.15 -0.60 0.23 0.00 0.00 176.35 176.20 2jgj s ARG 18 N -1.00 3.12 0.03 1.70 3.52 -0.13 -1.64 118.95 124.56 2jgj s ARG 18 Ca 0.06 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 2jgj s ARG 18 Cb -0.08 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 2jgj s ARG 18 CO 0.01 -0.19 0.04 0.41 -0.81 0.00 0.00 175.30 174.76 2jgj n GLY 19 N 4.65 2.24 3.16 8.12 0.00 -0.47 0.05 105.19 122.93 2jgj n GLY 19 Ca -0.20 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.45 2jgj n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jgj s ILE 20 N 0.53 1.26 -0.21 -0.61 2.07 -0.30 -4.85 121.20 119.09 2jgj s ILE 20 Ca 0.03 -0.95 -0.24 0.00 -1.41 0.00 0.00 60.65 58.08 2jgj s ILE 20 Cb -0.00 -1.10 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 2jgj s ILE 20 CO 0.02 0.14 0.79 -0.60 -1.91 0.00 0.00 174.94 173.38 2jgj s ARG 21 N -0.94 4.22 0.04 3.50 3.52 -1.26 -1.47 118.95 126.56 2jgj s ARG 21 Ca 0.04 0.91 0.06 0.00 -0.13 0.00 0.00 55.73 56.60 2jgj s ARG 21 Cb -0.07 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 2jgj s ARG 21 CO 0.01 -0.41 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.44 2jgj s LEU 22 N 2.48 2.86 -0.22 -0.88 1.43 -0.03 -4.94 118.68 119.38 2jgj s LEU 22 Ca 0.35 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 2jgj s LEU 22 Cb -0.16 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2jgj s LEU 22 CO 0.09 0.26 0.81 -0.75 0.23 0.00 0.00 176.35 176.99 2jgj s LYS 23 N -1.53 4.21 0.29 1.70 2.47 -1.26 -0.46 119.74 125.16 2jgj s LYS 23 Ca 0.16 0.93 0.09 0.00 -1.56 0.00 0.00 55.97 55.60 2jgj s LYS 23 Cb -0.11 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.59 2jgj s LYS 23 CO 0.07 -0.45 0.03 0.00 0.16 0.00 0.00 175.35 175.16 2jgj s ALA 24 N 2.61 3.23 0.21 3.13 0.00 0.00 -4.95 121.76 125.99 2jgj s ALA 24 Ca 0.35 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.46 2jgj s ALA 24 Cb -0.16 -0.70 0.29 0.00 0.00 0.00 0.00 23.12 22.56 2jgj s ALA 24 CO 0.09 0.19 1.68 -1.35 0.00 0.00 0.00 175.76 176.36 2jgj h PRO 25 N 1.81 0.15 -0.03 0.00 0.11 -1.96 -1.00 132.00 131.09 2jgj h PRO 25 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jgj h PRO 25 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jgj h PRO 25 CO 0.62 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.92 2jgj n GLY 26 N -1.35 -0.58 0.00 -0.55 0.00 -1.26 -5.02 105.19 96.44 2jgj n GLY 26 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jgj n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgj n GLY 27 N 1.00 0.71 3.86 -0.02 0.00 -0.38 -5.10 105.19 105.26 2jgj n GLY 27 Ca 0.19 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 2jgj n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jgj s PRO 28 N -1.74 3.83 0.10 1.61 0.04 -1.26 -0.82 135.00 136.76 2jgj s PRO 28 Ca 0.00 0.71 0.04 0.00 0.04 0.00 0.00 61.00 61.80 2jgj s PRO 28 Cb 0.00 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2jgj s PRO 28 CO 0.00 -0.21 -0.11 0.14 0.04 0.00 0.00 177.00 176.86 2jgj s VAL 29 N -2.58 1.04 -0.09 -0.36 -7.23 0.39 -3.77 120.40 107.79 2jgj s VAL 29 Ca 0.55 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.94 2jgj s VAL 29 Cb -0.10 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 2jgj s VAL 29 CO 0.34 -0.48 0.47 -0.44 -0.31 0.00 0.00 175.10 174.68 2jgj s SER 30 N -2.35 6.72 -0.01 4.85 0.01 -0.08 -0.85 113.70 121.99 2jgj s SER 30 Ca 0.05 0.85 0.06 0.00 1.31 0.00 0.00 55.95 58.22 2jgj s SER 30 Cb -0.04 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2jgj s SER 30 CO 0.01 0.06 -0.19 0.00 0.41 0.00 0.00 173.24 173.52 2jgj s ALA 31 N 0.32 1.62 -0.32 1.44 0.00 -0.54 -0.99 121.76 123.28 2jgj s ALA 31 Ca 0.26 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2jgj s ALA 31 Cb -0.15 -0.40 0.10 0.00 0.00 0.00 0.00 23.12 22.66 2jgj s ALA 31 CO 0.11 0.39 0.06 -0.06 0.00 0.00 0.00 175.76 176.26 2jgj s PHE 32 N -0.49 2.95 -0.04 0.00 0.40 0.12 -1.15 117.98 119.77 2jgj s PHE 32 Ca 0.07 -2.47 -0.01 0.00 -0.60 0.00 0.00 56.93 53.92 2jgj s PHE 32 Cb -0.08 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 2jgj s PHE 32 CO -0.00 -0.91 0.05 -0.51 0.70 0.00 0.00 175.22 174.54 2jgj s LEU 33 N 1.19 3.78 -1.06 -0.37 1.43 0.14 -1.57 118.68 122.23 2jgj s LEU 33 Ca 0.09 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 2jgj s LEU 33 Cb -0.18 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2jgj s LEU 33 CO -0.14 0.32 0.89 0.61 0.23 0.00 0.00 176.35 178.26 2jgj n GLY 34 N 1.59 -0.27 3.67 -3.19 0.00 -1.06 -3.87 105.19 102.07 2jgj n GLY 34 Ca -0.16 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2jgj n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgj s ILE 35 N -3.31 4.78 0.28 -0.61 1.01 -0.04 -4.79 121.20 118.53 2jgj s ILE 35 Ca 0.05 1.90 -0.29 0.00 0.00 0.00 0.00 60.65 62.31 2jgj s ILE 35 Cb -0.02 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 2jgj s ILE 35 CO 0.63 -0.05 1.20 -2.16 0.00 0.00 0.00 174.94 174.57 2jgj s PRO 36 N 2.43 4.50 0.00 2.79 0.04 -1.26 -0.15 135.00 143.34 2jgj s PRO 36 Ca 0.44 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2jgj s PRO 36 Cb -0.17 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2jgj s PRO 36 CO 0.12 -0.00 0.07 1.97 0.04 0.00 0.00 177.00 179.21 2jgj n PHE 37 N 1.29 0.00 -4.17 0.56 1.16 -1.13 -4.86 117.46 110.32 2jgj n PHE 37 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 2jgj n PHE 37 Cb 0.43 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.20 2jgj n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jgj s ALA 38 N -0.62 0.95 0.30 1.98 0.00 -1.25 -2.27 121.76 120.84 2jgj s ALA 38 Ca 0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 2jgj s ALA 38 Cb 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 23.12 23.25 2jgj s ALA 38 CO 0.00 -0.27 1.41 -1.21 0.00 0.00 0.00 175.76 175.70 2jgj s GLU 39 N -3.86 4.26 -0.16 0.00 0.41 0.89 -4.31 118.70 115.93 2jgj s GLU 39 Ca 0.13 2.33 -0.38 0.00 -0.41 0.00 0.00 54.97 56.64 2jgj s GLU 39 Cb 0.06 -3.07 -0.15 0.00 -1.78 0.00 0.00 34.13 29.19 2jgj s GLU 39 CO -0.04 -0.38 1.73 -2.30 -0.49 0.00 0.00 175.26 173.78 2jgj n PRO 40 N 1.53 1.49 -0.91 0.39 -0.02 -1.26 -4.68 135.00 131.54 2jgj n PRO 40 Ca 0.04 0.55 -0.16 0.00 -2.02 0.00 0.00 63.50 61.91 2jgj n PRO 40 Cb 0.40 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 2jgj n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jgj n PRO 41 N 5.32 2.04 -3.39 0.52 -0.04 -1.26 -4.89 135.00 133.30 2jgj n PRO 41 Ca 0.24 -1.11 -0.19 0.00 -0.04 0.00 0.00 63.50 62.40 2jgj n PRO 41 Cb 0.19 -2.11 -0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2jgj n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jgj s VAL 42 N 1.63 3.79 0.00 0.52 -7.23 -1.26 -3.32 120.40 114.52 2jgj s VAL 42 Ca 0.57 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2jgj s VAL 42 Cb 0.24 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.88 2jgj s VAL 42 CO -0.01 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 2jgj n GLY 43 N -1.67 3.90 0.00 2.32 0.00 -1.26 -0.71 105.19 107.77 2jgj n GLY 43 Ca 0.02 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.29 2jgj n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jgj n SER 44 N 8.39 0.00 -0.08 1.61 3.41 -1.26 -2.72 113.62 122.97 2jgj n SER 44 Ca 0.00 0.26 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 2jgj n SER 44 Cb 0.00 -0.36 0.13 0.00 -0.26 0.00 0.00 64.21 63.73 2jgj n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jgj n ARG 45 N -1.36 0.24 -1.72 4.33 5.12 0.11 -4.83 116.66 118.55 2jgj n ARG 45 Ca 0.04 -0.17 -0.43 0.00 -1.93 0.00 0.00 57.85 55.37 2jgj n ARG 45 Cb 0.10 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.88 2jgj n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2jgj n ARG 46 N -1.24 2.59 -0.06 5.56 0.63 -1.10 -1.33 116.66 121.70 2jgj n ARG 46 Ca 0.06 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 2jgj n ARG 46 Cb 0.35 -2.71 0.00 0.00 0.45 0.00 0.00 32.46 30.55 2jgj n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jgj n PHE 47 N 2.81 0.00 -3.23 -0.14 3.72 -1.26 -4.95 117.46 114.41 2jgj n PHE 47 Ca 0.12 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.19 2jgj n PHE 47 Cb 0.35 -0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 2jgj n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jgj s MET 48 N -0.01 3.99 0.72 -1.08 -1.94 -0.44 -4.29 119.30 116.24 2jgj s MET 48 Ca 0.00 0.58 -0.16 0.00 -1.71 0.00 0.00 55.69 54.40 2jgj s MET 48 Cb 0.00 -2.63 -0.05 0.00 2.01 0.00 0.00 34.83 34.16 2jgj s MET 48 CO 0.00 0.28 0.40 -2.30 -0.01 0.00 0.00 175.02 173.39 2jgj n PRO 49 N 0.04 0.26 -2.63 2.03 -0.02 -1.26 -4.94 135.00 128.47 2jgj n PRO 49 Ca 0.01 0.12 -0.38 0.00 -2.02 0.00 0.00 63.50 61.22 2jgj n PRO 49 Cb 0.52 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 2jgj n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jgj s PRO 50 N -2.56 4.57 -0.15 0.52 0.04 -1.26 -5.06 135.00 131.10 2jgj s PRO 50 Ca 0.63 1.54 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 2jgj s PRO 50 Cb -0.35 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2jgj s PRO 50 CO 0.60 0.22 0.04 -1.21 0.04 0.00 0.00 177.00 176.68 2jgj s GLU 51 N -1.78 3.63 0.45 4.56 2.02 -1.26 -5.03 118.70 121.29 2jgj s GLU 51 Ca 0.48 -0.37 -0.22 0.00 0.02 0.00 0.00 54.97 54.88 2jgj s GLU 51 Cb -0.25 -3.05 -0.11 0.00 0.10 0.00 0.00 34.13 30.82 2jgj s GLU 51 CO 0.31 0.42 0.67 -2.30 0.02 0.00 0.00 175.26 174.38 2jgj n PRO 52 N 3.05 0.75 -1.89 0.39 -0.02 -1.26 -0.07 135.00 135.95 2jgj n PRO 52 Ca -0.18 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 2jgj n PRO 52 Cb 0.53 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.30 2jgj n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jgj s LYS 53 N -1.80 4.19 0.21 -0.52 2.47 -0.96 -3.85 119.74 119.47 2jgj s LYS 53 Ca 0.65 2.45 -0.30 0.00 -1.56 0.00 0.00 55.97 57.21 2jgj s LYS 53 Cb -0.56 -3.07 -0.08 0.00 -1.46 0.00 0.00 37.83 32.65 2jgj s LYS 53 CO 0.57 -0.55 0.93 1.03 0.16 0.00 0.00 175.35 177.49 2jgj s ARG 54 N -0.26 4.81 0.47 4.03 0.52 -1.26 -4.90 118.95 122.36 2jgj s ARG 54 Ca 0.63 1.45 -0.22 0.00 -0.52 0.00 0.00 55.73 57.06 2jgj s ARG 54 Cb -0.45 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 31.63 2jgj s ARG 54 CO 0.44 0.48 0.92 -2.30 0.02 0.00 0.00 175.30 174.85 2jgj n PRO 55 N 1.71 1.12 -4.08 3.54 -0.02 -1.26 -5.01 135.00 130.99 2jgj n PRO 55 Ca -0.02 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.64 2jgj n PRO 55 Cb 0.47 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2jgj n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jgj s TRP 56 N -1.38 2.68 0.18 6.00 -2.14 0.12 -5.03 118.94 119.37 2jgj s TRP 56 Ca 0.66 -0.42 0.06 0.00 2.66 0.00 0.00 56.10 59.05 2jgj s TRP 56 Cb -0.52 -1.72 -0.04 0.00 -3.10 0.00 0.00 33.47 28.09 2jgj s TRP 56 CO 0.55 0.29 0.14 -1.54 -2.66 0.00 0.00 176.95 173.72 2jgj s SER 57 N -3.87 5.45 0.09 -2.66 1.04 -1.26 -4.63 113.70 107.86 2jgj s SER 57 Ca 0.39 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2jgj s SER 57 Cb -0.01 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2jgj s SER 57 CO 0.23 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2jgj n GLY 58 N -0.49 -1.85 3.52 7.32 0.00 -1.26 -4.75 105.19 107.67 2jgj n GLY 58 Ca -0.08 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 2jgj n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgj s VAL 59 N 0.00 5.12 0.07 1.61 1.01 -1.26 -3.74 120.40 123.20 2jgj s VAL 59 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.48 2jgj s VAL 59 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2jgj s VAL 59 CO 0.00 0.06 1.40 -0.22 0.00 0.00 0.00 175.10 176.33 2jgj s LEU 60 N 1.70 4.35 -0.30 3.92 0.20 0.22 -4.85 118.68 123.92 2jgj s LEU 60 Ca 0.06 2.24 -0.29 0.00 0.69 0.00 0.00 54.13 56.83 2jgj s LEU 60 Cb -0.17 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.02 2jgj s LEU 60 CO 0.09 -0.68 1.24 -0.62 -0.29 0.00 0.00 176.35 176.10 2jgj s ASP 61 N 1.46 6.75 -0.47 3.68 -1.08 -1.26 -0.95 116.67 124.80 2jgj s ASP 61 Ca 0.64 1.18 0.05 0.00 -0.52 0.00 0.00 52.55 53.90 2jgj s ASP 61 Cb -0.35 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 38.99 2jgj s ASP 61 CO 0.29 -1.02 1.15 0.00 0.52 0.00 0.00 175.17 176.11 2jgj n ALA 62 N 7.38 5.13 0.41 3.66 0.00 0.11 -4.73 120.51 132.47 2jgj n ALA 62 Ca 0.14 -4.34 0.04 0.00 0.00 0.00 0.00 53.44 49.29 2jgj n ALA 62 Cb 0.47 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 2jgj n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jgj n THR 63 N -0.47 0.00 -4.12 0.00 -2.24 -1.25 0.28 114.28 106.47 2jgj n THR 63 Ca 0.39 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 2jgj n THR 63 Cb 0.63 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.84 2jgj n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jgj s THR 64 N -1.37 0.66 0.56 4.28 -4.23 -1.26 -4.86 115.64 109.43 2jgj s THR 64 Ca 0.07 -1.51 -0.20 0.00 -1.18 0.00 0.00 61.69 58.87 2jgj s THR 64 Cb 0.07 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 2jgj s THR 64 CO 0.25 -0.61 1.25 -0.36 -0.54 0.00 0.00 174.62 174.61 2jgj s PHE 65 N -2.45 2.41 0.54 3.99 0.08 -1.26 -3.46 117.98 117.83 2jgj s PHE 65 Ca 0.01 1.48 0.09 0.00 0.12 0.00 0.00 56.93 58.63 2jgj s PHE 65 Cb -0.03 -3.57 0.09 0.00 -0.57 0.00 0.00 43.02 38.94 2jgj s PHE 65 CO -0.02 -2.36 0.74 1.04 -0.10 0.00 0.00 175.22 174.52 2jgj n GLN 66 N -1.28 0.63 -1.26 0.44 1.13 -1.26 -4.88 117.38 110.90 2jgj n GLN 66 Ca 0.12 -2.93 -0.37 0.00 -1.94 0.00 0.00 57.00 51.88 2jgj n GLN 66 Cb 0.48 -0.21 0.05 0.00 0.11 0.00 0.00 30.24 30.67 2jgj n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jgj n ASN 67 N -2.36 -2.21 -4.88 1.08 3.02 -1.26 -4.82 115.26 103.83 2jgj n ASN 67 Ca 0.15 0.58 -0.34 0.00 -0.03 0.00 0.00 54.58 54.94 2jgj n ASN 67 Cb 0.56 -1.08 -0.05 0.00 -0.61 0.00 0.00 39.78 38.60 2jgj n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jgj s VAL 68 N -1.92 5.20 0.40 2.41 1.01 -0.22 -4.79 120.40 122.49 2jgj s VAL 68 Ca 0.61 0.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.55 2jgj s VAL 68 Cb -0.38 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 2jgj s VAL 68 CO 0.62 0.25 1.28 0.00 0.00 0.00 0.00 175.10 177.25 2jgj n TYR 70 N 0.15 2.53 -3.54 0.00 9.36 -1.15 -4.72 117.16 119.79 2jgj n TYR 70 Ca 0.04 0.06 -0.12 0.00 3.32 0.00 0.00 57.90 61.19 2jgj n TYR 70 Cb 0.44 -2.65 -0.04 0.00 -0.63 0.00 0.00 39.34 36.46 2jgj n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 2jgj s GLN 71 N 1.72 1.12 0.29 2.98 -2.07 -1.26 -4.70 119.66 117.74 2jgj s GLN 71 Ca 0.79 -0.43 -0.30 0.00 -1.82 0.00 0.00 55.36 53.60 2jgj s GLN 71 Cb -0.57 0.51 -0.12 0.00 -1.09 0.00 0.00 33.01 31.74 2jgj s GLN 71 CO 0.37 -0.45 1.47 0.98 -1.32 0.00 0.00 175.29 176.34 2jgj n TYR 72 N -0.02 2.53 -4.69 9.60 4.19 -1.26 -5.02 117.16 122.50 2jgj n TYR 72 Ca -0.17 0.39 -0.33 0.00 3.31 0.00 0.00 57.90 61.10 2jgj n TYR 72 Cb 0.63 -2.51 -0.14 0.00 0.49 0.00 0.00 39.34 37.81 2jgj n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jgj s VAL 73 N -0.34 3.21 -0.02 2.97 1.01 -1.26 -4.89 120.40 121.07 2jgj s VAL 73 Ca 0.63 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2jgj s VAL 73 Cb -0.56 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2jgj s VAL 73 CO 0.53 0.52 1.23 -0.62 0.00 0.00 0.00 175.10 176.76 2jgj s ASP 74 N 0.37 7.03 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.15 2jgj s ASP 74 Ca -0.09 1.90 0.00 0.00 -0.52 0.00 0.00 52.55 53.84 2jgj s ASP 74 Cb -0.16 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2jgj s ASP 74 CO 0.05 -0.58 0.51 0.35 0.52 0.00 0.00 175.17 176.02 2jgj n THR 75 N 4.47 0.22 -0.28 1.71 -2.24 -1.26 -4.83 114.28 112.06 2jgj n THR 75 Ca 0.11 -0.47 0.10 0.00 -2.27 0.00 0.00 64.05 61.51 2jgj n THR 75 Cb 0.46 1.08 0.24 0.00 -2.10 0.00 0.00 70.33 70.01 2jgj n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jgj h LEU 76 N 0.00 0.04 -6.62 3.22 5.85 -2.03 -3.23 115.31 112.54 2jgj h LEU 76 Ca 0.00 0.17 -0.60 0.00 0.84 0.00 0.00 57.88 58.29 2jgj h LEU 76 Cb 0.29 0.22 -0.41 0.00 0.37 0.00 0.00 40.66 41.13 2jgj h LEU 76 CO 0.00 -0.08 -0.73 -1.22 -0.34 0.00 0.00 178.44 176.06 2jgj n TYR 77 N -5.18 1.91 -1.74 1.25 4.01 -1.26 -5.10 117.16 111.05 2jgj n TYR 77 Ca 0.18 -3.95 -0.42 0.00 -0.16 0.00 0.00 57.90 53.55 2jgj n TYR 77 Cb 0.58 -0.36 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 2jgj n TYR 77 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 2jgj s PRO 78 N -1.26 4.15 0.00 -0.72 0.02 -1.22 -2.36 135.00 133.61 2jgj s PRO 78 Ca 0.31 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2jgj s PRO 78 Cb 0.04 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.43 2jgj s PRO 78 CO -0.14 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.00 2jgj n GLY 79 N 4.47 1.07 3.66 0.52 0.00 -1.26 -5.07 105.19 108.59 2jgj n GLY 79 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2jgj n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jgj s PHE 80 N -2.18 3.40 0.35 1.61 5.36 -0.99 -4.96 117.98 120.56 2jgj s PHE 80 Ca 0.00 1.06 0.02 0.00 -0.96 0.00 0.00 56.93 57.05 2jgj s PHE 80 Cb 0.00 -2.88 0.63 0.00 -0.34 0.00 0.00 43.02 40.43 2jgj s PHE 80 CO 0.00 -0.19 2.00 1.49 -1.46 0.00 0.00 175.22 177.06 2jgj h GLU 81 N 7.41 0.85 -0.96 10.12 4.57 -1.96 -0.69 114.58 133.91 2jgj h GLU 81 Ca -0.31 -0.05 0.17 0.00 -1.18 0.00 0.00 59.36 57.99 2jgj h GLU 81 Cb 1.14 -0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 29.45 2jgj h GLU 81 CO 0.80 0.56 0.61 0.78 -1.18 0.00 0.00 179.01 180.58 2jgj h GLY 82 N 0.87 1.47 0.41 1.92 0.00 -1.93 -1.47 103.07 104.34 2jgj h GLY 82 Ca 0.25 -0.33 -0.36 0.00 0.00 0.00 0.00 47.33 46.89 2jgj h GLY 82 CO -0.06 0.03 -2.15 -1.30 0.00 0.00 0.00 176.54 173.06 2jgj n THR 83 N -4.64 1.62 -0.11 4.70 -2.24 -0.94 -4.54 114.28 108.13 2jgj n THR 83 Ca 0.20 -0.68 -0.02 0.00 -2.27 0.00 0.00 64.05 61.29 2jgj n THR 83 Cb 0.53 -1.37 0.22 0.00 -2.10 0.00 0.00 70.33 67.61 2jgj n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jgj h GLU 84 N 0.03 0.78 -0.18 -0.78 4.39 -0.77 -2.34 114.58 115.71 2jgj h GLU 84 Ca -0.47 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.14 2jgj h GLU 84 Cb 2.02 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 2jgj h GLU 84 CO 0.03 0.69 0.27 0.00 -1.16 0.00 0.00 179.01 178.83 2jgj h MET 85 N 0.76 0.00 -0.01 2.33 -0.00 -1.52 -0.00 114.93 116.49 2jgj h MET 85 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.87 2jgj h MET 85 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 2jgj h MET 85 CO -0.01 0.00 -0.38 0.91 -0.00 0.00 0.00 176.91 177.43 2jgj n TRP 86 N -3.54 0.00 -2.78 -0.10 7.02 -0.88 -4.75 117.44 112.41 2jgj n TRP 86 Ca 0.02 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.18 2jgj n TRP 86 Cb 0.38 -0.08 -0.04 0.00 -2.42 0.00 0.00 31.31 29.15 2jgj n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jgj s ASN 87 N -2.54 6.62 0.20 -0.99 0.01 -0.02 -4.68 114.94 113.55 2jgj s ASN 87 Ca 0.21 1.31 -0.32 0.00 -0.71 0.00 0.00 52.86 53.35 2jgj s ASN 87 Cb 0.19 -2.40 -0.15 0.00 0.41 0.00 0.00 41.25 39.30 2jgj s ASN 87 CO 0.56 -0.41 1.29 -2.65 -1.51 0.00 0.00 177.10 174.38 2jgj n PRO 88 N -1.17 1.56 -0.04 -0.60 -0.02 -1.26 -4.89 135.00 128.58 2jgj n PRO 88 Ca 0.04 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 2jgj n PRO 88 Cb 0.54 -2.14 0.07 0.00 -0.02 0.00 0.00 33.50 31.95 2jgj n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jgj n ASN 89 N 2.14 2.17 -4.01 2.55 6.94 -1.26 -4.99 115.26 118.80 2jgj n ASN 89 Ca 0.14 -2.57 -0.12 0.00 -0.02 0.00 0.00 54.58 52.00 2jgj n ASN 89 Cb 0.27 -0.23 -0.08 0.00 -2.36 0.00 0.00 39.78 37.38 2jgj n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jgj s ARG 90 N -1.98 1.38 0.33 -3.83 1.81 -1.26 -5.08 118.95 110.30 2jgj s ARG 90 Ca 0.17 -1.60 -0.29 0.00 -1.72 0.00 0.00 55.73 52.30 2jgj s ARG 90 Cb 0.15 0.33 -0.12 0.00 -0.45 0.00 0.00 34.95 34.86 2jgj s ARG 90 CO 0.02 -0.50 1.37 -1.91 -0.68 0.00 0.00 175.30 173.60 2jgj n GLU 91 N -0.35 2.26 -2.63 3.54 2.13 -1.26 -4.45 120.64 119.89 2jgj n GLU 91 Ca 0.02 0.80 -0.42 0.00 0.66 0.00 0.00 57.16 58.21 2jgj n GLU 91 Cb 0.64 -2.43 -0.03 0.00 0.27 0.00 0.00 31.44 29.89 2jgj n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jgj s LEU 92 N -0.96 4.34 -0.07 4.31 1.43 -1.26 -1.06 118.68 125.41 2jgj s LEU 92 Ca 0.58 1.71 -0.31 0.00 -1.03 0.00 0.00 54.13 55.09 2jgj s LEU 92 Cb -0.56 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.16 2jgj s LEU 92 CO 0.59 -0.36 0.68 -0.55 0.23 0.00 0.00 176.35 176.94 2jgj s SER 93 N 1.08 -0.67 0.42 2.29 0.15 -0.72 -4.93 113.70 111.31 2jgj s SER 93 Ca 0.53 0.78 0.28 0.00 0.70 0.00 0.00 55.95 58.24 2jgj s SER 93 Cb -0.22 0.61 1.00 0.00 -1.71 0.00 0.00 66.02 65.70 2jgj s SER 93 CO 0.26 -0.58 1.82 -0.33 1.20 0.00 0.00 173.24 175.60 2jgj h GLU 94 N 3.16 0.00 -5.43 5.44 5.08 -1.95 -3.04 114.58 117.84 2jgj h GLU 94 Ca -0.27 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.43 2jgj h GLU 94 Cb 1.14 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 2jgj h GLU 94 CO 0.36 0.00 1.02 0.34 -1.00 0.00 0.00 179.01 179.73 2jgj s ASP 95 N -5.31 6.54 0.00 1.42 2.15 -1.26 -4.27 116.67 115.94 2jgj s ASP 95 Ca 0.04 -1.73 0.00 0.00 0.43 0.00 0.00 52.55 51.29 2jgj s ASP 95 Cb 0.09 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2jgj s ASP 95 CO 0.54 -1.25 0.00 0.00 -0.17 0.00 0.00 175.17 174.29 2jgj s LEU 97 N 0.00 3.36 0.11 0.00 1.43 -1.26 -4.64 118.68 117.68 2jgj s LEU 97 Ca 0.00 -1.98 0.05 0.00 -1.03 0.00 0.00 54.13 51.17 2jgj s LEU 97 Cb 0.00 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2jgj s LEU 97 CO 0.00 -2.34 -0.11 -0.31 0.23 0.00 0.00 176.35 173.81 2jgj s TYR 98 N 8.39 1.21 0.24 0.29 2.02 -1.26 -2.84 117.35 125.40 2jgj s TYR 98 Ca 0.63 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 2jgj s TYR 98 Cb 0.01 -0.64 -0.05 0.00 -0.40 0.00 0.00 41.96 40.88 2jgj s TYR 98 CO 0.11 0.06 0.04 -0.48 -1.57 0.00 0.00 175.55 173.72 2jgj s LEU 99 N -2.56 1.96 -0.00 -1.29 0.05 0.78 -1.34 118.68 116.29 2jgj s LEU 99 Ca 0.08 -1.29 0.04 0.00 0.05 0.00 0.00 54.13 53.01 2jgj s LEU 99 Cb -0.03 -0.14 -0.01 0.00 -2.05 0.00 0.00 46.19 43.97 2jgj s LEU 99 CO 0.01 -0.62 -0.12 0.20 -0.55 0.00 0.00 176.35 175.27 2jgj s ASN 100 N -3.31 1.42 -0.09 1.48 0.01 0.15 -0.86 114.94 113.74 2jgj s ASN 100 Ca 0.32 -0.24 0.01 0.00 -0.71 0.00 0.00 52.86 52.24 2jgj s ASN 100 Cb 0.07 -0.15 0.02 0.00 0.41 0.00 0.00 41.25 41.60 2jgj s ASN 100 CO 0.11 0.13 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.02 2jgj s VAL 101 N -0.35 1.20 -0.08 1.60 1.01 -0.61 -1.28 120.40 121.90 2jgj s VAL 101 Ca 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2jgj s VAL 101 Cb -0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2jgj s VAL 101 CO -0.00 0.38 -0.08 0.26 0.00 0.00 0.00 175.10 175.65 2jgj s TRP 102 N 1.06 2.89 0.06 5.22 0.51 0.00 0.14 118.94 128.82 2jgj s TRP 102 Ca -0.07 -0.10 0.00 0.00 -2.12 0.00 0.00 56.10 53.82 2jgj s TRP 102 Cb -0.15 -1.73 -0.04 0.00 -0.81 0.00 0.00 33.47 30.75 2jgj s TRP 102 CO -0.01 0.22 -0.04 0.95 -0.51 0.00 0.00 176.95 177.55 2jgj s THR 103 N -0.58 0.35 0.90 2.01 -4.23 -0.16 -0.94 115.64 112.99 2jgj s THR 103 Ca 0.09 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 58.86 2jgj s THR 103 Cb -0.12 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.51 2jgj s THR 103 CO 0.02 -0.81 0.43 -2.65 -0.54 0.00 0.00 174.62 171.06 2jgj n PRO 104 N 0.49 -0.15 -4.11 3.99 -0.02 -1.26 -0.90 135.00 133.04 2jgj n PRO 104 Ca -0.16 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.05 2jgj n PRO 104 Cb 0.59 -1.85 -0.17 0.00 -0.02 0.00 0.00 33.50 32.06 2jgj n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgj s TYR 105 N -2.28 1.66 0.94 6.00 5.04 -1.25 -2.81 117.35 124.66 2jgj s TYR 105 Ca 0.59 -0.81 -0.11 0.00 -2.44 0.00 0.00 57.07 54.29 2jgj s TYR 105 Cb -0.24 -1.29 0.15 0.00 0.35 0.00 0.00 41.96 40.93 2jgj s TYR 105 CO 0.65 -0.50 1.09 -1.25 -1.34 0.00 0.00 175.55 174.21 2jgj s PRO 106 N 1.40 0.89 0.38 4.97 0.04 -1.26 -4.82 135.00 136.59 2jgj s PRO 106 Ca 0.00 1.07 -0.26 0.00 0.04 0.00 0.00 61.00 61.85 2jgj s PRO 106 Cb -0.13 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 2jgj s PRO 106 CO -0.06 -2.57 1.21 0.54 0.04 0.00 0.00 177.00 176.16 2jgj n ARG 107 N -4.14 1.85 -1.57 4.56 1.74 -1.12 -4.89 116.66 113.08 2jgj n ARG 107 Ca 0.08 0.65 -0.37 0.00 -0.77 0.00 0.00 57.85 57.44 2jgj n ARG 107 Cb 0.54 -2.25 0.06 0.00 -1.02 0.00 0.00 32.46 29.79 2jgj n ARG 107 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2jgj n PRO 108 N 0.33 0.79 -0.05 5.56 -0.04 -1.26 -4.97 135.00 135.36 2jgj n PRO 108 Ca 0.07 0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.71 2jgj n PRO 108 Cb 0.37 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.58 2jgj n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jgj h ALA 109 N 0.30 0.17 -3.26 0.55 0.00 -1.93 -3.45 119.26 111.64 2jgj h ALA 109 Ca -0.48 -0.32 -0.65 0.00 0.00 0.00 0.00 54.91 53.46 2jgj h ALA 109 Cb 1.36 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 2jgj h ALA 109 CO 0.50 0.04 -0.77 -1.54 0.00 0.00 0.00 179.25 177.48 2jgj s SER 110 N -6.07 3.93 -0.10 0.00 1.04 -1.26 -5.08 113.70 106.16 2jgj s SER 110 Ca -0.14 -0.65 -0.39 0.00 0.48 0.00 0.00 55.95 55.25 2jgj s SER 110 Cb 0.04 -0.55 -0.17 0.00 0.10 0.00 0.00 66.02 65.45 2jgj s SER 110 CO 0.74 0.13 1.52 -2.65 0.98 0.00 0.00 173.24 173.96 2jgj n PRO 111 N 0.32 1.05 -4.82 4.02 -0.02 -1.26 -4.93 135.00 129.35 2jgj n PRO 111 Ca -0.13 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 2jgj n PRO 111 Cb 0.55 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 2jgj n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jgj s THR 112 N 1.93 3.09 0.25 3.45 2.01 -0.67 -4.76 115.64 120.94 2jgj s THR 112 Ca 0.92 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2jgj s THR 112 Cb -1.04 -2.25 -0.14 0.00 0.01 0.00 0.00 72.50 69.07 2jgj s THR 112 CO 0.57 0.56 1.11 -2.65 -0.69 0.00 0.00 174.62 173.52 2jgj n PRO 113 N 2.88 1.41 -4.21 4.92 -0.02 -1.26 -0.26 135.00 138.46 2jgj n PRO 113 Ca -0.18 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 2jgj n PRO 113 Cb 0.52 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 2jgj n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jgj s VAL 114 N -0.70 4.40 -0.20 -1.45 1.01 0.17 -3.19 120.40 120.45 2jgj s VAL 114 Ca 0.64 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.38 2jgj s VAL 114 Cb -0.73 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2jgj s VAL 114 CO 0.57 0.50 0.01 -0.76 0.00 0.00 0.00 175.10 175.41 2jgj s LEU 115 N 0.13 3.32 -0.27 3.92 1.43 0.86 -1.13 118.68 126.94 2jgj s LEU 115 Ca 0.02 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2jgj s LEU 115 Cb -0.13 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2jgj s LEU 115 CO 0.02 0.07 0.03 -0.63 0.23 0.00 0.00 176.35 176.07 2jgj s ILE 116 N 0.94 3.72 -0.09 -0.59 1.01 0.76 -0.56 121.20 126.39 2jgj s ILE 116 Ca 0.02 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 2jgj s ILE 116 Cb -0.14 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2jgj s ILE 116 CO 0.02 0.20 0.47 0.86 0.00 0.00 0.00 174.94 176.48 2jgj s TRP 117 N 1.48 3.56 -0.30 3.97 -0.11 0.93 -0.34 118.94 128.14 2jgj s TRP 117 Ca 0.03 0.92 0.03 0.00 1.22 0.00 0.00 56.10 58.30 2jgj s TRP 117 Cb -0.16 -2.50 0.08 0.00 -1.50 0.00 0.00 33.47 29.39 2jgj s TRP 117 CO 0.00 0.26 -0.02 0.42 -4.62 0.00 0.00 176.95 173.00 2jgj s ILE 118 N 0.27 2.14 0.72 5.86 1.01 -0.21 -3.82 121.20 127.17 2jgj s ILE 118 Ca 0.25 -1.95 -0.15 0.00 0.00 0.00 0.00 60.65 58.81 2jgj s ILE 118 Cb -0.15 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.92 2jgj s ILE 118 CO 0.11 -0.33 1.21 -0.72 0.00 0.00 0.00 174.94 175.21 2jgj s TYR 119 N 1.04 2.08 0.00 3.97 -0.85 -1.26 -3.54 117.35 118.79 2jgj s TYR 119 Ca 0.01 1.59 0.00 0.00 -0.52 0.00 0.00 57.07 58.16 2jgj s TYR 119 Cb -0.19 -3.47 0.00 0.00 0.38 0.00 0.00 41.96 38.68 2jgj s TYR 119 CO -0.07 -2.58 0.00 0.41 -1.52 0.00 0.00 175.55 171.79 2jgj n GLY 120 N 0.38 1.66 0.00 5.49 0.00 -1.13 -3.17 105.19 108.42 2jgj n GLY 120 Ca 0.13 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2jgj n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgj n GLY 121 N 5.00 0.91 2.48 -0.02 0.00 -1.26 -4.13 105.19 108.17 2jgj n GLY 121 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2jgj n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgj n GLY 122 N 0.00 0.33 2.68 -0.02 0.00 -1.26 -1.11 105.19 105.81 2jgj n GLY 122 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jgj n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgj n PHE 123 N -2.52 0.00 0.07 1.61 3.72 -1.26 -4.79 117.46 114.28 2jgj n PHE 123 Ca -0.01 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.40 2jgj n PHE 123 Cb 0.25 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.94 2jgj n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jgj n TYR 124 N -2.42 0.00 -3.90 1.38 0.18 -0.71 0.53 117.16 112.21 2jgj n TYR 124 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 2jgj n TYR 124 Cb 0.18 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.14 2jgj n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jgj s SER 125 N -0.46 0.34 0.00 9.48 1.04 -0.27 -4.11 113.70 119.72 2jgj s SER 125 Ca 0.01 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2jgj s SER 125 Cb 0.01 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.93 2jgj s SER 125 CO 0.03 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.29 2jgj n GLY 126 N -0.55 2.55 3.64 7.32 0.00 -1.26 -4.13 105.19 112.76 2jgj n GLY 126 Ca -0.05 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 43.78 2jgj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgj s ALA 127 N -2.02 -2.12 -1.91 4.61 0.00 -1.26 -4.65 121.76 114.41 2jgj s ALA 127 Ca 0.00 1.76 0.28 0.00 0.00 0.00 0.00 51.96 54.01 2jgj s ALA 127 Cb 0.00 -1.51 1.13 0.00 0.00 0.00 0.00 23.12 22.74 2jgj s ALA 127 CO 0.00 -0.19 1.79 0.00 0.00 0.00 0.00 175.76 177.36 2jgj n ALA 128 N 1.20 2.79 1.27 0.00 0.00 -1.26 -3.80 120.51 120.71 2jgj n ALA 128 Ca -0.07 -0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.16 2jgj n ALA 128 Cb 0.58 -1.26 0.34 0.00 0.00 0.00 0.00 19.45 19.11 2jgj n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jgj n SER 129 N -0.61 1.52 -4.76 0.00 3.41 -1.26 -4.83 113.62 107.08 2jgj n SER 129 Ca 0.16 -1.29 -0.37 0.00 -0.26 0.00 0.00 58.87 57.11 2jgj n SER 129 Cb 0.30 0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 2jgj n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jgj s LEU 130 N -2.29 3.84 0.30 1.04 1.43 -1.25 -4.95 118.68 116.81 2jgj s LEU 130 Ca 0.28 2.46 0.01 0.00 -1.03 0.00 0.00 54.13 55.85 2jgj s LEU 130 Cb 0.20 -4.38 0.53 0.00 0.03 0.00 0.00 46.19 42.56 2jgj s LEU 130 CO 0.45 -1.34 1.91 0.44 0.23 0.00 0.00 176.35 178.03 2jgj h ASP 131 N 1.46 0.91 0.21 2.29 3.32 -1.93 -0.89 116.42 121.78 2jgj h ASP 131 Ca -0.50 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2jgj h ASP 131 Cb 1.28 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2jgj h ASP 131 CO 0.57 0.58 0.00 1.33 -1.72 0.00 0.00 179.24 180.01 2jgj n VAL 132 N -4.49 0.91 0.47 -1.35 0.24 -1.26 -2.09 118.33 110.76 2jgj n VAL 132 Ca 0.14 0.23 0.07 0.00 -2.04 0.00 0.00 64.34 62.73 2jgj n VAL 132 Cb 0.20 -1.07 0.08 0.00 -1.47 0.00 0.00 33.84 31.57 2jgj n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgj n TYR 133 N -1.33 0.08 -1.51 6.34 4.01 -0.34 -4.54 117.16 119.87 2jgj n TYR 133 Ca 0.04 -0.07 -0.54 0.00 -0.16 0.00 0.00 57.90 57.17 2jgj n TYR 133 Cb 0.08 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 2jgj n TYR 133 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2jgj n ASP 134 N 0.78 2.04 -0.18 7.72 -0.08 -0.89 -4.83 116.55 121.11 2jgj n ASP 134 Ca 0.09 0.68 0.13 0.00 -1.51 0.00 0.00 54.79 54.18 2jgj n ASP 134 Cb 0.36 -1.17 0.67 0.00 2.34 0.00 0.00 41.12 43.32 2jgj n ASP 134 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jgj n GLY 135 N 5.88 -0.61 0.33 0.27 0.00 -1.26 -4.24 105.19 105.55 2jgj n GLY 135 Ca 0.38 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 46.17 2jgj n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jgj h ARG 136 N 0.80 0.73 0.01 1.61 0.11 -1.91 -2.41 114.38 113.31 2jgj h ARG 136 Ca 0.00 -0.04 -0.14 0.00 0.10 0.00 0.00 59.98 59.89 2jgj h ARG 136 Cb 0.17 -0.16 0.01 0.00 1.11 0.00 0.00 29.97 31.10 2jgj h ARG 136 CO 0.00 0.48 -0.57 0.74 0.10 0.00 0.00 179.97 180.72 2jgj h PHE 137 N 0.75 0.56 -0.96 4.08 0.04 -1.78 -1.57 116.94 118.06 2jgj h PHE 137 Ca 0.21 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2jgj h PHE 137 Cb -0.07 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 2jgj h PHE 137 CO -0.00 1.13 0.61 -0.07 -0.60 0.00 0.00 178.31 179.39 2jgj h LEU 138 N -0.17 1.12 -0.26 1.54 3.38 -1.72 0.54 115.31 119.75 2jgj h LEU 138 Ca -0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2jgj h LEU 138 Cb 1.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2jgj h LEU 138 CO 0.11 0.83 0.10 0.00 0.09 0.00 0.00 178.44 179.57 2jgj h ALA 139 N 1.34 0.33 0.18 1.53 0.00 -1.44 -1.61 119.26 119.59 2jgj h ALA 139 Ca 0.35 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.82 2jgj h ALA 139 Cb -0.12 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.61 2jgj h ALA 139 CO -0.07 -0.06 -1.34 0.37 0.00 0.00 0.00 179.25 178.15 2jgj h GLN 140 N 0.26 0.59 0.16 0.00 -0.00 -1.12 -2.07 115.11 112.93 2jgj h GLN 140 Ca 0.08 -0.88 -0.36 0.00 -0.00 0.00 0.00 58.65 57.50 2jgj h GLN 140 Cb 0.20 0.31 -0.00 0.00 0.00 0.00 0.00 27.48 27.98 2jgj h GLN 140 CO -0.01 1.41 -1.87 0.28 0.00 0.00 0.00 178.83 178.64 2jgj h VAL 141 N 0.21 0.78 -0.02 2.39 2.07 -1.00 -3.38 116.25 117.30 2jgj h VAL 141 Ca -0.22 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 64.88 2jgj h VAL 141 Cb 2.03 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 34.43 2jgj h VAL 141 CO 0.26 0.88 -0.21 -0.62 0.02 0.00 0.00 177.57 177.90 2jgj n GLU 142 N -3.55 1.71 -1.36 1.57 -0.58 -0.64 -4.97 120.64 112.82 2jgj n GLU 142 Ca -0.28 -1.39 -0.12 0.00 -0.42 0.00 0.00 57.16 54.95 2jgj n GLU 142 Cb 1.06 -1.42 -0.05 0.00 -0.57 0.00 0.00 31.44 30.46 2jgj n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jgj n GLY 143 N 1.28 1.33 3.80 0.62 0.00 -0.78 -4.98 105.19 106.45 2jgj n GLY 143 Ca 0.11 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2jgj n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgj s ALA 144 N -2.44 2.89 -0.26 4.61 0.00 -1.00 -4.71 121.76 120.85 2jgj s ALA 144 Ca 0.00 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 2jgj s ALA 144 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2jgj s ALA 144 CO 0.00 -0.30 0.41 0.08 0.00 0.00 0.00 175.76 175.95 2jgj s VAL 145 N -1.96 5.16 -0.08 0.00 1.01 -1.19 -4.17 120.40 119.16 2jgj s VAL 145 Ca 0.67 0.66 0.04 0.00 0.00 0.00 0.00 61.98 63.34 2jgj s VAL 145 Cb -0.17 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2jgj s VAL 145 CO 0.20 0.16 -0.21 -0.22 0.00 0.00 0.00 175.10 175.03 2jgj s LEU 146 N 1.99 2.28 -0.03 3.92 0.20 -0.11 -0.10 118.68 126.82 2jgj s LEU 146 Ca 0.17 -0.44 0.03 0.00 0.69 0.00 0.00 54.13 54.58 2jgj s LEU 146 Cb -0.16 -1.45 0.00 0.00 -0.43 0.00 0.00 46.19 44.16 2jgj s LEU 146 CO 0.09 0.23 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.56 2jgj s VAL 147 N -0.05 1.09 0.02 1.68 1.01 0.27 -0.82 120.40 123.61 2jgj s VAL 147 Ca -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2jgj s VAL 147 Cb -0.15 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2jgj s VAL 147 CO 0.05 0.33 -0.06 -0.94 0.00 0.00 0.00 175.10 174.48 2jgj s SER 148 N 0.13 0.62 0.07 3.32 1.04 -0.40 -0.05 113.70 118.43 2jgj s SER 148 Ca -0.04 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.13 2jgj s SER 148 Cb -0.10 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 2jgj s SER 148 CO 0.01 -0.10 -0.18 0.00 0.98 0.00 0.00 173.24 173.95 2jgj s MET 149 N -0.89 1.05 0.36 4.02 0.23 -1.25 0.30 119.30 123.12 2jgj s MET 149 Ca -0.05 -1.00 -0.25 0.00 -1.03 0.00 0.00 55.69 53.36 2jgj s MET 149 Cb -0.06 -1.18 -0.10 0.00 -1.53 0.00 0.00 34.83 31.96 2jgj s MET 149 CO -0.00 0.28 0.97 -0.80 -2.03 0.00 0.00 175.02 173.44 2jgj s ASN 150 N -1.61 7.12 0.00 -1.18 0.01 -0.45 -4.55 114.94 114.28 2jgj s ASN 150 Ca 0.04 1.86 -0.05 0.00 -0.71 0.00 0.00 52.86 54.00 2jgj s ASN 150 Cb -0.09 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 38.99 2jgj s ASN 150 CO 0.03 -0.23 0.09 -0.72 -1.51 0.00 0.00 177.10 174.76 2jgj s TYR 151 N -1.73 0.08 0.40 2.20 1.13 -1.26 -4.53 117.35 113.64 2jgj s TYR 151 Ca 0.54 -0.19 -0.27 0.00 -1.41 0.00 0.00 57.07 55.74 2jgj s TYR 151 Cb -0.18 -0.08 -0.10 0.00 -1.10 0.00 0.00 41.96 40.51 2jgj s TYR 151 CO 0.23 -0.23 1.40 1.03 -2.51 0.00 0.00 175.55 175.47 2jgj s ARG 152 N -1.23 4.01 0.39 -3.49 0.52 -1.26 -4.88 118.95 113.01 2jgj s ARG 152 Ca -0.13 2.39 0.06 0.00 -0.52 0.00 0.00 55.73 57.53 2jgj s ARG 152 Cb -0.07 -2.86 -0.07 0.00 0.52 0.00 0.00 34.95 32.46 2jgj s ARG 152 CO 0.01 -0.55 0.02 0.14 0.02 0.00 0.00 175.30 174.94 2jgj s VAL 153 N -1.17 1.76 0.00 3.52 -7.23 -1.26 -4.39 120.40 111.63 2jgj s VAL 153 Ca 0.55 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2jgj s VAL 153 Cb -0.43 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.58 2jgj s VAL 153 CO 0.57 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 2jgj n GLY 154 N -0.90 0.81 0.31 2.32 0.00 0.19 -2.34 105.19 105.57 2jgj n GLY 154 Ca -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.30 2jgj n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jgj h THR 155 N 0.00 0.96 0.00 2.61 1.35 -1.89 -0.16 112.91 115.77 2jgj h THR 155 Ca 0.00 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2jgj h THR 155 Cb 0.00 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.45 2jgj h THR 155 CO 0.00 0.16 -0.01 -0.26 -0.25 0.00 0.00 175.52 175.16 2jgj h PHE 156 N 0.86 0.00 0.00 4.73 0.04 -1.87 -1.78 116.94 118.91 2jgj h PHE 156 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 2jgj h PHE 156 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 2jgj h PHE 156 CO -0.05 0.01 -1.10 0.41 -0.60 0.00 0.00 178.31 176.98 2jgj n GLY 157 N -0.88 -0.20 0.00 -1.45 0.00 -0.78 -4.36 105.19 97.53 2jgj n GLY 157 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2jgj n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgj n PHE 158 N -1.62 0.00 -1.95 1.61 3.72 -0.14 -1.27 117.46 117.81 2jgj n PHE 158 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2jgj n PHE 158 Cb 0.19 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 2jgj n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jgj s LEU 159 N 0.00 4.37 -0.03 4.37 0.20 -0.69 -4.55 118.68 122.35 2jgj s LEU 159 Ca 0.00 2.53 0.02 0.00 0.69 0.00 0.00 54.13 57.37 2jgj s LEU 159 Cb 0.00 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 42.19 2jgj s LEU 159 CO 0.00 -0.84 -0.07 0.00 -0.29 0.00 0.00 176.35 175.15 2jgj s ALA 160 N 1.85 0.74 -0.65 5.97 0.00 -1.26 -4.28 121.76 124.13 2jgj s ALA 160 Ca 0.71 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 2jgj s ALA 160 Cb -0.41 -0.32 0.17 0.00 0.00 0.00 0.00 23.12 22.56 2jgj s ALA 160 CO 0.32 0.09 0.47 -0.51 0.00 0.00 0.00 175.76 176.13 2jgj s LEU 161 N 0.35 5.21 0.22 0.00 1.43 -0.40 -3.92 118.68 121.56 2jgj s LEU 161 Ca -0.05 -2.99 -0.32 0.00 -1.03 0.00 0.00 54.13 49.74 2jgj s LEU 161 Cb -0.09 -1.84 -0.13 0.00 0.03 0.00 0.00 46.19 44.15 2jgj s LEU 161 CO 0.00 -0.33 1.51 -2.65 0.23 0.00 0.00 176.35 175.11 2jgj n PRO 162 N 3.29 2.20 0.00 1.29 -0.02 -1.26 -1.71 135.00 138.79 2jgj n PRO 162 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2jgj n PRO 162 Cb 0.37 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2jgj n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgj n GLY 163 N 2.69 3.14 3.60 -1.23 0.00 -1.26 -5.06 105.19 107.07 2jgj n GLY 163 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2jgj n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jgj s SER 164 N 0.38 1.69 -0.19 1.61 1.04 -0.69 -4.99 113.70 112.54 2jgj s SER 164 Ca 0.00 1.13 0.15 0.00 0.48 0.00 0.00 55.95 57.71 2jgj s SER 164 Cb 0.00 -1.75 -0.24 0.00 0.10 0.00 0.00 66.02 64.13 2jgj s SER 164 CO 0.00 -3.70 0.09 -1.14 0.98 0.00 0.00 173.24 169.47 2jgj n ARG 165 N -4.55 0.68 0.00 4.02 0.63 -1.26 -4.26 116.66 111.92 2jgj n ARG 165 Ca 0.06 0.04 0.14 0.00 -0.92 0.00 0.00 57.85 57.17 2jgj n ARG 165 Cb 0.57 -1.55 0.54 0.00 0.45 0.00 0.00 32.46 32.48 2jgj n ARG 165 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jgj n GLU 166 N -2.85 1.46 -2.71 -0.14 4.71 -1.26 -4.46 120.64 115.40 2jgj n GLU 166 Ca -0.33 -0.80 -0.06 0.00 -0.01 0.00 0.00 57.16 55.96 2jgj n GLU 166 Cb 1.13 -1.48 0.07 0.00 -1.01 0.00 0.00 31.44 30.14 2jgj n GLU 166 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jgj n ALA 167 N -0.07 -2.42 0.32 0.62 0.00 -1.26 -4.43 120.51 113.26 2jgj n ALA 167 Ca 0.18 -0.87 0.15 0.00 0.00 0.00 0.00 53.44 52.90 2jgj n ALA 167 Cb 0.33 -2.25 0.62 0.00 0.00 0.00 0.00 19.45 18.15 2jgj n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jgj h PRO 168 N 3.49 0.00 0.00 0.00 0.13 -1.75 -1.05 132.00 132.83 2jgj h PRO 168 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2jgj h PRO 168 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jgj h PRO 168 CO 0.07 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.25 2jgj n GLY 169 N 0.01 -0.34 2.29 1.56 0.00 -1.26 -4.67 105.19 102.78 2jgj n GLY 169 Ca 0.01 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 2jgj n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jgj n ASN 170 N -1.27 -4.31 0.19 1.61 3.02 -1.26 -4.86 115.26 108.37 2jgj n ASN 170 Ca 0.00 0.26 0.06 0.00 -0.03 0.00 0.00 54.58 54.87 2jgj n ASN 170 Cb 0.00 -3.79 0.30 0.00 -0.61 0.00 0.00 39.78 35.68 2jgj n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jgj h VAL 171 N 0.00 0.80 -0.50 2.41 -1.51 -1.84 -1.61 116.25 114.00 2jgj h VAL 171 Ca -0.34 -1.57 -0.04 0.00 -1.23 0.00 0.00 66.70 63.52 2jgj h VAL 171 Cb 1.13 1.99 -0.02 0.00 -2.13 0.00 0.00 31.29 32.25 2jgj h VAL 171 CO 0.45 0.36 0.14 1.23 -1.23 0.00 0.00 177.57 178.51 2jgj h GLY 172 N 2.36 0.81 1.66 5.19 0.00 -1.41 0.41 103.07 112.08 2jgj h GLY 172 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 2jgj h GLY 172 CO 0.05 0.42 -0.34 1.41 0.00 0.00 0.00 176.54 178.08 2jgj h LEU 173 N 0.73 0.40 -0.70 3.11 3.38 -1.57 -2.75 115.31 117.91 2jgj h LEU 173 Ca 0.17 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2jgj h LEU 173 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jgj h LEU 173 CO -0.01 0.72 -0.54 -0.07 0.09 0.00 0.00 178.44 178.63 2jgj h LEU 174 N 0.34 0.33 -0.16 1.67 3.38 -0.83 -1.25 115.31 118.78 2jgj h LEU 174 Ca 0.04 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2jgj h LEU 174 Cb 0.76 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2jgj h LEU 174 CO 0.06 0.81 0.01 0.44 0.09 0.00 0.00 178.44 179.85 2jgj h ASP 175 N 0.23 -0.04 -0.53 -0.43 3.32 -0.83 -0.98 116.42 117.17 2jgj h ASP 175 Ca 0.00 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.13 2jgj h ASP 175 Cb 1.03 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 2jgj h ASP 175 CO 0.09 0.00 0.28 1.56 -1.72 0.00 0.00 179.24 179.45 2jgj h GLN 176 N 0.07 0.52 -0.53 3.56 4.20 -1.16 -2.08 115.11 119.69 2jgj h GLN 176 Ca 0.07 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 2jgj h GLN 176 Cb 0.08 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2jgj h GLN 176 CO -0.12 0.35 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.24 2jgj h ARG 177 N 0.54 0.95 -0.61 1.46 2.43 -1.06 -1.05 114.38 117.04 2jgj h ARG 177 Ca 0.23 -0.31 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2jgj h ARG 177 Cb 0.12 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2jgj h ARG 177 CO -0.15 0.97 0.38 1.25 -1.51 0.00 0.00 179.97 180.91 2jgj h LEU 178 N 0.86 0.63 -1.24 3.80 5.85 -0.79 0.42 115.31 124.85 2jgj h LEU 178 Ca 0.15 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2jgj h LEU 178 Cb 0.59 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2jgj h LEU 178 CO 0.04 0.45 -0.13 0.00 -0.34 0.00 0.00 178.44 178.45 2jgj h ALA 179 N 1.25 1.37 -0.54 1.25 0.00 -1.17 0.24 119.26 121.66 2jgj h ALA 179 Ca 0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2jgj h ALA 179 Cb -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jgj h ALA 179 CO -0.08 0.43 0.18 -0.07 0.00 0.00 0.00 179.25 179.71 2jgj h LEU 180 N 0.33 0.74 -0.26 0.00 3.38 -0.16 -1.89 115.31 117.45 2jgj h LEU 180 Ca 0.06 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 2jgj h LEU 180 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jgj h LEU 180 CO 0.03 0.69 -0.70 1.56 0.09 0.00 0.00 178.44 180.10 2jgj h GLN 181 N 0.79 0.73 -0.84 1.13 4.20 0.26 -2.42 115.11 118.95 2jgj h GLN 181 Ca 0.18 -0.55 0.09 0.00 0.06 0.00 0.00 58.65 58.43 2jgj h GLN 181 Cb 0.21 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.03 2jgj h GLN 181 CO -0.01 1.17 0.55 2.35 -0.67 0.00 0.00 178.83 182.22 2jgj h TRP 182 N 0.51 0.90 -0.24 2.96 7.01 -0.47 -1.54 115.95 125.08 2jgj h TRP 182 Ca -0.03 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 2jgj h TRP 182 Cb 1.31 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 2jgj h TRP 182 CO 0.07 0.43 -0.17 0.28 -2.79 0.00 0.00 178.44 176.26 2jgj h VAL 183 N 0.85 1.31 -0.52 2.65 2.07 -0.94 -0.64 116.25 121.03 2jgj h VAL 183 Ca 0.38 -1.30 0.09 0.00 0.82 0.00 0.00 66.70 66.69 2jgj h VAL 183 Cb 0.36 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 2jgj h VAL 183 CO -0.15 0.40 0.10 1.56 0.02 0.00 0.00 177.57 179.50 2jgj h GLN 184 N 0.26 0.23 -0.01 1.57 1.08 -1.09 -0.23 115.11 116.91 2jgj h GLN 184 Ca 0.05 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 57.00 2jgj h GLN 184 Cb 0.70 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2jgj h GLN 184 CO 0.05 0.15 -0.95 1.49 -0.95 0.00 0.00 178.83 178.62 2jgj h GLU 185 N 0.24 0.51 0.00 1.46 4.81 -1.17 -3.40 114.58 117.02 2jgj h GLU 185 Ca 0.26 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2jgj h GLU 185 Cb 0.36 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jgj h GLU 185 CO -0.34 1.17 -1.35 0.09 -0.73 0.00 0.00 179.01 177.84 2jgj n ASN 186 N -3.79 3.13 0.29 1.04 3.02 -0.26 -4.71 115.26 113.99 2jgj n ASN 186 Ca -0.08 -0.01 0.17 0.00 -0.03 0.00 0.00 54.58 54.63 2jgj n ASN 186 Cb 0.84 1.36 0.90 0.00 -0.61 0.00 0.00 39.78 42.26 2jgj n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jgj h ILE 187 N 0.00 0.31 0.00 2.41 6.09 -1.19 -1.71 117.51 123.42 2jgj h ILE 187 Ca 0.00 -0.29 -0.04 0.00 -1.37 0.00 0.00 64.86 63.16 2jgj h ILE 187 Cb 0.36 1.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.86 2jgj h ILE 187 CO 0.00 0.05 -0.21 0.00 -3.07 0.00 0.00 178.15 174.92 2jgj h ALA 188 N 1.95 1.12 0.00 0.18 0.00 -1.79 -0.64 119.26 120.07 2jgj h ALA 188 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jgj h ALA 188 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jgj h ALA 188 CO 0.01 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2jgj h ALA 189 N 1.79 1.00 -0.11 0.00 0.00 -1.61 -1.92 119.26 118.41 2jgj h ALA 189 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jgj h ALA 189 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jgj h ALA 189 CO 0.03 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.47 2jgj n PHE 190 N -2.65 0.13 -0.56 0.00 3.01 -0.63 -4.88 117.46 111.88 2jgj n PHE 190 Ca -0.01 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2jgj n PHE 190 Cb 0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 2jgj n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgj n GLY 191 N 0.89 0.74 3.84 1.37 0.00 -0.72 -4.52 105.19 106.79 2jgj n GLY 191 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2jgj n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jgj s GLY 192 N -1.85 2.12 -0.46 -0.02 0.00 -0.34 -1.66 107.32 105.10 2jgj s GLY 192 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 44.72 44.77 2jgj s GLY 192 CO 0.00 0.41 0.33 -0.35 0.00 0.00 0.00 173.10 173.49 2jgj s ASP 193 N -2.89 5.73 0.00 1.64 -1.08 0.64 -3.36 116.67 117.35 2jgj s ASP 193 Ca 0.58 -1.76 0.02 0.00 -0.52 0.00 0.00 52.55 50.87 2jgj s ASP 193 Cb -0.10 -2.02 0.07 0.00 -1.46 0.00 0.00 42.92 39.41 2jgj s ASP 193 CO 0.27 -0.66 1.03 -0.81 0.52 0.00 0.00 175.17 175.52 2jgj n PRO 194 N 4.95 0.00 0.00 4.34 -0.04 -1.26 -0.63 135.00 142.36 2jgj n PRO 194 Ca -0.09 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2jgj n PRO 194 Cb 0.41 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.60 2jgj n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jgj n MET 195 N -1.47 1.29 -3.51 0.54 2.81 -1.26 -4.43 117.12 111.09 2jgj n MET 195 Ca 0.00 -0.94 -0.27 0.00 -1.81 0.00 0.00 57.70 54.69 2jgj n MET 195 Cb 0.02 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 30.95 2jgj n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jgj n SER 196 N -0.04 0.88 -4.38 7.83 2.88 0.20 -4.92 113.62 116.07 2jgj n SER 196 Ca 0.12 -2.72 -0.36 0.00 -1.33 0.00 0.00 58.87 54.58 2jgj n SER 196 Cb 0.43 -0.63 -0.13 0.00 -0.75 0.00 0.00 64.21 63.13 2jgj n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jgj s VAL 197 N -0.71 3.88 -0.19 2.46 1.01 -1.26 0.42 120.40 126.01 2jgj s VAL 197 Ca 0.32 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2jgj s VAL 197 Cb 0.04 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2jgj s VAL 197 CO -0.17 0.33 -0.08 -0.89 0.00 0.00 0.00 175.10 174.30 2jgj s THR 198 N 1.54 3.25 0.10 3.92 2.01 -0.29 -0.27 115.64 125.90 2jgj s THR 198 Ca 0.05 -0.55 -0.26 0.00 0.31 0.00 0.00 61.69 61.24 2jgj s THR 198 Cb -0.15 -2.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.86 2jgj s THR 198 CO 0.01 0.46 0.81 -0.76 -0.69 0.00 0.00 174.62 174.45 2jgj s LEU 199 N 1.06 4.51 0.01 4.42 1.43 -0.36 -0.17 118.68 129.57 2jgj s LEU 199 Ca 0.00 1.58 -0.03 0.00 -1.03 0.00 0.00 54.13 54.65 2jgj s LEU 199 Cb -0.15 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 2jgj s LEU 199 CO -0.01 0.06 0.05 0.72 0.23 0.00 0.00 176.35 177.40 2jgj s PHE 200 N -0.40 0.12 0.07 0.29 -0.71 0.54 -0.64 117.98 117.26 2jgj s PHE 200 Ca 0.39 -0.26 -0.27 0.00 -1.04 0.00 0.00 56.93 55.76 2jgj s PHE 200 Cb -0.22 -0.10 0.08 0.00 -1.21 0.00 0.00 43.02 41.57 2jgj s PHE 200 CO 0.25 -0.19 0.92 0.20 -1.34 0.00 0.00 175.22 175.06 2jgj s GLY 201 N -1.15 -0.35 -0.31 1.99 0.00 -1.16 -1.04 107.32 105.29 2jgj s GLY 201 Ca -0.12 0.57 0.09 0.00 0.00 0.00 0.00 44.72 45.26 2jgj s GLY 201 CO 0.00 0.17 1.16 -2.21 0.00 0.00 0.00 173.10 172.22 2jgj n GLU 202 N -0.36 3.28 0.00 2.90 0.00 -1.23 -1.36 120.64 123.88 2jgj n GLU 202 Ca -0.08 -4.12 0.00 0.00 0.00 0.00 0.00 57.16 52.96 2jgj n GLU 202 Cb 0.61 -2.16 0.00 0.00 0.00 0.00 0.00 31.44 29.89 2jgj n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgj n ALA 204 N -0.64 0.00 -0.18 4.31 0.00 -1.26 -2.83 120.51 119.91 2jgj n ALA 204 Ca 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 2jgj n ALA 204 Cb 0.89 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.36 2jgj n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jgj h GLY 205 N 0.00 0.82 0.95 0.00 0.00 -1.68 0.19 103.07 103.34 2jgj h GLY 205 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 2jgj h GLY 205 CO 0.00 0.41 0.03 0.00 0.00 0.00 0.00 176.54 176.98 2jgj h ALA 206 N 1.07 0.55 -0.29 3.60 0.00 -1.58 -0.33 119.26 122.28 2jgj h ALA 206 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jgj h ALA 206 Cb 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jgj h ALA 206 CO -0.02 0.30 0.07 0.00 0.00 0.00 0.00 179.25 179.60 2jgj h ALA 207 N 0.91 0.31 -0.70 0.00 0.00 -1.69 -0.61 119.26 117.47 2jgj h ALA 207 Ca 0.12 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.20 2jgj h ALA 207 Cb 0.43 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 2jgj h ALA 207 CO 0.01 -0.34 0.27 0.77 0.00 0.00 0.00 179.25 179.97 2jgj h SER 208 N 0.18 0.26 -0.11 0.00 0.02 -0.45 -0.21 113.55 113.24 2jgj h SER 208 Ca 0.13 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2jgj h SER 208 Cb 0.13 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2jgj h SER 208 CO -0.16 0.12 0.06 0.58 -1.14 0.00 0.00 176.83 176.29 2jgj h VAL 209 N 0.43 1.07 0.00 2.27 2.07 -0.13 -1.81 116.25 120.15 2jgj h VAL 209 Ca 0.37 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 2jgj h VAL 209 Cb 0.53 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2jgj h VAL 209 CO -0.37 0.06 -0.01 1.23 0.02 0.00 0.00 177.57 178.51 2jgj h GLY 210 N 0.10 0.00 2.00 2.17 0.00 -0.47 -1.41 103.07 105.45 2jgj h GLY 210 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 2jgj h GLY 210 CO -0.01 0.00 -0.64 -0.33 0.00 0.00 0.00 176.54 175.56 2jgj h MET 211 N 0.00 0.00 0.00 4.80 2.86 -0.36 -2.34 114.93 119.89 2jgj h MET 211 Ca -0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2jgj h MET 211 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2jgj h MET 211 CO 0.00 0.64 -0.42 0.45 1.06 0.00 0.00 176.91 178.64 2jgj h HIS 212 N 0.00 0.00 -0.15 -0.22 3.86 -0.47 -1.12 115.15 117.04 2jgj h HIS 212 Ca -0.01 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 2jgj h HIS 212 Cb 1.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.84 2jgj h HIS 212 CO 0.00 0.42 -0.53 0.82 0.86 0.00 0.00 177.93 179.50 2jgj h ILE 213 N 0.00 1.33 -0.01 2.45 2.04 -1.17 -3.22 117.51 118.93 2jgj h ILE 213 Ca -0.00 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.07 2jgj h ILE 213 Cb 0.86 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2jgj h ILE 213 CO 0.05 0.55 -0.12 0.18 0.00 0.00 0.00 178.15 178.81 2jgj n LEU 214 N -3.95 1.54 -4.08 1.44 4.77 -0.90 -4.74 117.00 111.07 2jgj n LEU 214 Ca -0.03 -0.49 -0.33 0.00 -0.03 0.00 0.00 56.01 55.14 2jgj n LEU 214 Cb 0.58 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 2jgj n LEU 214 CO 0.46 0.27 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.85 2jgj s SER 215 N -2.21 4.69 0.22 -1.43 0.15 -0.46 -4.80 113.70 109.87 2jgj s SER 215 Ca 0.31 -1.63 -0.09 0.00 0.70 0.00 0.00 55.95 55.24 2jgj s SER 215 Cb 0.20 -1.63 0.35 0.00 -1.71 0.00 0.00 66.02 63.23 2jgj s SER 215 CO 0.41 -0.29 1.69 0.25 1.20 0.00 0.00 173.24 176.51 2jgj h LEU 216 N 7.80 -0.05 -1.98 3.45 5.85 -1.85 0.13 115.31 128.66 2jgj h LEU 216 Ca -0.15 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jgj h LEU 216 Cb 1.04 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2jgj h LEU 216 CO 0.51 -0.03 0.18 -0.65 -0.34 0.00 0.00 178.44 178.11 2jgj h PRO 217 N 0.23 0.00 0.00 5.25 0.11 -1.95 0.63 132.00 136.27 2jgj h PRO 217 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2jgj h PRO 217 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2jgj h PRO 217 CO -0.46 0.00 -0.82 0.77 -0.21 0.00 0.00 178.00 177.28 2jgj h SER 218 N 0.00 0.00 -0.50 -2.05 0.02 -0.98 -3.40 113.55 106.65 2jgj h SER 218 Ca 0.00 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 2jgj h SER 218 Cb 0.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2jgj h SER 218 CO 0.00 0.08 0.12 0.03 -1.14 0.00 0.00 176.83 175.93 2jgj h ARG 219 N 0.00 0.85 0.00 3.45 2.47 -0.82 -1.72 114.38 118.61 2jgj h ARG 219 Ca 0.00 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 2jgj h ARG 219 Cb 0.83 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 2jgj h ARG 219 CO 0.00 0.77 0.00 -1.13 0.56 0.00 0.00 179.97 180.17 2jgj n SER 220 N -4.27 0.00 -0.32 7.04 3.41 -1.26 -3.69 113.62 114.54 2jgj n SER 220 Ca 0.04 -0.97 0.11 0.00 -0.26 0.00 0.00 58.87 57.79 2jgj n SER 220 Cb 0.23 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 2jgj n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgj n LEU 221 N -0.99 1.65 -3.79 1.04 4.77 -0.65 -5.01 117.00 114.03 2jgj n LEU 221 Ca 0.22 -0.65 -0.09 0.00 -0.03 0.00 0.00 56.01 55.46 2jgj n LEU 221 Cb 0.10 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2jgj n LEU 221 CO 0.16 0.33 0.37 0.72 -1.33 0.00 0.00 177.39 177.64 2jgj s PHE 222 N -2.66 -0.14 0.00 -1.77 -0.71 -1.24 -4.89 117.98 106.57 2jgj s PHE 222 Ca 0.15 -0.25 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 2jgj s PHE 222 Cb 0.17 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.52 2jgj s PHE 222 CO 0.67 -1.07 0.00 0.72 -1.34 0.00 0.00 175.22 174.20 2jgj n HIS 223 N -0.41 0.00 -4.04 3.49 8.25 0.62 -4.94 115.22 118.20 2jgj n HIS 223 Ca -0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.31 2jgj n HIS 223 Cb 0.61 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.63 2jgj n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jgj s ARG 224 N -1.95 0.71 -0.03 -0.41 0.52 -1.12 -4.46 118.95 112.22 2jgj s ARG 224 Ca 0.00 -1.18 -0.02 0.00 -0.52 0.00 0.00 55.73 54.01 2jgj s ARG 224 Cb 0.00 0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.73 2jgj s ARG 224 CO 0.00 -0.17 0.06 0.00 0.02 0.00 0.00 175.30 175.21 2jgj s ALA 225 N -3.92 -0.10 -0.16 2.13 0.00 -0.93 -1.22 121.76 117.55 2jgj s ALA 225 Ca 0.09 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 2jgj s ALA 225 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 2jgj s ALA 225 CO -0.09 -0.06 -0.06 0.08 0.00 0.00 0.00 175.76 175.63 2jgj s VAL 226 N 0.41 3.56 -0.26 0.00 1.01 0.19 -1.12 120.40 124.19 2jgj s VAL 226 Ca -0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2jgj s VAL 226 Cb -0.05 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.81 2jgj s VAL 226 CO -0.01 0.48 -0.05 -0.76 0.00 0.00 0.00 175.10 174.76 2jgj s LEU 227 N 0.61 3.37 -0.46 3.92 1.02 0.89 -2.99 118.68 125.04 2jgj s LEU 227 Ca -0.04 -0.97 -0.09 0.00 0.02 0.00 0.00 54.13 53.06 2jgj s LEU 227 Cb -0.15 -1.68 0.11 0.00 0.02 0.00 0.00 46.19 44.50 2jgj s LEU 227 CO 0.03 -0.16 0.32 -1.10 0.02 0.00 0.00 176.35 175.46 2jgj s GLN 228 N 1.31 2.46 -0.85 1.70 -0.21 -0.46 -2.51 119.66 121.10 2jgj s GLN 228 Ca -0.01 -1.72 -0.03 0.00 0.02 0.00 0.00 55.36 53.62 2jgj s GLN 228 Cb -0.17 -3.88 0.00 0.00 1.00 0.00 0.00 33.01 29.96 2jgj s GLN 228 CO -0.04 -1.14 0.73 0.43 -2.12 0.00 0.00 175.29 173.15 2jgj n SER 229 N 4.89 -3.31 0.00 5.90 7.64 -0.13 -4.20 113.62 124.41 2jgj n SER 229 Ca -0.08 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2jgj n SER 229 Cb 0.41 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 2jgj n SER 229 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jgj n GLY 230 N -1.28 1.08 3.17 0.23 0.00 -1.26 -4.78 105.19 102.35 2jgj n GLY 230 Ca -0.11 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 2jgj n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jgj s THR 231 N -2.00 0.12 0.20 2.61 -4.23 -1.26 -4.22 115.64 106.85 2jgj s THR 231 Ca 0.00 -0.97 0.21 0.00 -1.18 0.00 0.00 61.69 59.75 2jgj s THR 231 Cb 0.00 -0.94 0.18 0.00 1.34 0.00 0.00 72.50 73.08 2jgj s THR 231 CO 0.00 -0.53 1.81 1.55 -0.54 0.00 0.00 174.62 176.90 2jgj h PRO 232 N 3.46 0.00 -7.15 3.99 0.13 -1.81 -3.40 132.00 127.22 2jgj h PRO 232 Ca -0.32 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.35 2jgj h PRO 232 Cb 1.19 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.40 2jgj h PRO 232 CO 0.49 0.30 0.12 0.54 -0.23 0.00 0.00 178.00 179.23 2jgj s ASN 233 N -6.37 4.59 0.00 1.44 4.22 -1.26 -4.60 114.94 112.96 2jgj s ASN 233 Ca -0.00 -0.03 0.00 0.00 -2.14 0.00 0.00 52.86 50.69 2jgj s ASN 233 Cb 0.11 -0.52 0.00 0.00 1.28 0.00 0.00 41.25 42.13 2jgj s ASN 233 CO 0.66 -1.69 0.00 0.61 -2.04 0.00 0.00 177.10 174.64 2jgj n GLY 234 N -2.81 -3.18 0.03 0.45 0.00 -1.26 -4.73 105.19 93.69 2jgj n GLY 234 Ca 0.12 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 44.14 2jgj n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jgj n PRO 235 N -0.06 0.14 0.00 1.61 -0.04 -1.26 -4.26 135.00 131.14 2jgj n PRO 235 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2jgj n PRO 235 Cb 0.00 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 2jgj n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jgj n TRP 236 N -1.80 0.00 0.24 0.54 4.27 -1.26 -4.77 117.44 114.66 2jgj n TRP 236 Ca 0.05 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.80 2jgj n TRP 236 Cb 0.39 0.00 0.40 0.00 -1.36 0.00 0.00 31.31 30.74 2jgj n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jgj h ALA 237 N 0.00 0.99 -2.59 -1.67 0.00 -1.85 -3.44 119.26 110.71 2jgj h ALA 237 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2jgj h ALA 237 Cb 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 2jgj h ALA 237 CO 0.00 0.02 -0.64 0.95 0.00 0.00 0.00 179.25 179.58 2jgj s THR 238 N -3.42 0.16 0.20 0.00 -4.23 -1.26 -3.59 115.64 103.51 2jgj s THR 238 Ca 0.04 -1.32 0.10 0.00 -1.18 0.00 0.00 61.69 59.33 2jgj s THR 238 Cb 0.07 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 2jgj s THR 238 CO 0.62 -0.73 -0.20 0.68 -0.54 0.00 0.00 174.62 174.45 2jgj s VAL 239 N -2.75 2.07 0.90 2.29 -7.23 -0.40 -5.00 120.40 110.28 2jgj s VAL 239 Ca -0.04 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 57.94 2jgj s VAL 239 Cb -0.00 -2.03 0.13 0.00 0.56 0.00 0.00 36.38 35.04 2jgj s VAL 239 CO -0.06 -0.32 1.09 -0.94 -0.31 0.00 0.00 175.10 174.57 2jgj s SER 240 N -2.91 3.43 0.22 4.85 1.04 -1.26 -1.87 113.70 117.21 2jgj s SER 240 Ca 0.21 1.55 -0.09 0.00 0.48 0.00 0.00 55.95 58.10 2jgj s SER 240 Cb -0.06 -2.22 0.18 0.00 0.10 0.00 0.00 66.02 64.02 2jgj s SER 240 CO 0.09 -2.67 1.87 0.00 0.98 0.00 0.00 173.24 173.51 2jgj h ALA 241 N -1.57 1.05 -0.25 5.32 0.00 -1.96 -1.73 119.26 120.12 2jgj h ALA 241 Ca -0.49 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.35 2jgj h ALA 241 Cb 1.28 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2jgj h ALA 241 CO 0.53 0.51 0.12 0.78 0.00 0.00 0.00 179.25 181.19 2jgj h GLY 242 N 1.13 0.33 1.28 0.00 0.00 -1.93 -1.46 103.07 102.42 2jgj h GLY 242 Ca 0.30 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.42 2jgj h GLY 242 CO -0.06 0.06 -0.26 -2.09 0.00 0.00 0.00 176.54 174.19 2jgj h GLU 243 N 0.25 0.82 -0.78 4.80 4.57 -1.88 -1.71 114.58 120.65 2jgj h GLU 243 Ca 0.11 -0.36 -0.05 0.00 -1.18 0.00 0.00 59.36 57.88 2jgj h GLU 243 Cb 0.04 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 2jgj h GLU 243 CO -0.08 0.99 0.30 0.00 -1.18 0.00 0.00 179.01 179.03 2jgj h ALA 244 N 1.00 1.02 -0.26 2.92 0.00 -1.09 -0.26 119.26 122.58 2jgj h ALA 244 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jgj h ALA 244 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jgj h ALA 244 CO 0.07 0.66 0.17 -0.09 0.00 0.00 0.00 179.25 180.05 2jgj h ARG 245 N 1.14 0.33 0.01 0.00 2.43 -1.00 0.11 114.38 117.40 2jgj h ARG 245 Ca 0.26 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2jgj h ARG 245 Cb 0.24 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2jgj h ARG 245 CO -0.02 0.22 -0.17 -0.09 -1.51 0.00 0.00 179.97 178.41 2jgj h ARG 246 N 0.34 -0.27 -0.69 0.20 2.43 -1.08 0.12 114.38 115.44 2jgj h ARG 246 Ca 0.10 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2jgj h ARG 246 Cb -0.03 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2jgj h ARG 246 CO -0.03 -0.18 0.13 0.00 -1.51 0.00 0.00 179.97 178.38 2jgj h ARG 247 N -0.28 1.12 -0.39 0.20 3.08 -0.89 -0.92 114.38 116.30 2jgj h ARG 247 Ca 0.05 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 2jgj h ARG 247 Cb 0.34 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2jgj h ARG 247 CO -0.16 1.01 -0.16 0.00 -1.07 0.00 0.00 179.97 179.59 2jgj h ALA 248 N 1.08 0.98 -0.15 0.04 0.00 -0.58 -0.97 119.26 119.67 2jgj h ALA 248 Ca 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jgj h ALA 248 Cb 0.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jgj h ALA 248 CO 0.01 0.60 -0.04 1.15 0.00 0.00 0.00 179.25 180.97 2jgj h THR 249 N 0.65 1.29 -0.29 0.00 2.02 -0.56 -1.86 112.91 114.17 2jgj h THR 249 Ca 0.10 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.32 2jgj h THR 249 Cb 0.64 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 2jgj h THR 249 CO 0.04 0.29 0.13 0.25 0.37 0.00 0.00 175.52 176.61 2jgj h LEU 250 N -0.02 0.19 -0.90 2.58 5.85 -1.13 -0.96 115.31 120.92 2jgj h LEU 250 Ca 0.04 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2jgj h LEU 250 Cb 0.46 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2jgj h LEU 250 CO 0.01 0.14 0.42 0.25 -0.34 0.00 0.00 178.44 178.93 2jgj h LEU 251 N 0.28 1.10 0.11 2.25 5.85 -1.15 -1.17 115.31 122.58 2jgj h LEU 251 Ca 0.12 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2jgj h LEU 251 Cb 0.05 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 2jgj h LEU 251 CO -0.09 0.91 -0.39 0.00 -0.34 0.00 0.00 178.44 178.53 2jgj h ALA 252 N 1.26 -0.67 -0.66 1.25 0.00 -1.00 -2.85 119.26 116.59 2jgj h ALA 252 Ca 0.29 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.27 2jgj h ALA 252 Cb 0.09 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 2jgj h ALA 252 CO -0.04 -0.95 0.14 0.00 0.00 0.00 0.00 179.25 178.40 2jgj h ARG 253 N -0.61 0.25 0.00 0.00 3.08 -0.59 -1.69 114.38 114.81 2jgj h ARG 253 Ca 0.03 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jgj h ARG 253 Cb 0.65 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2jgj h ARG 253 CO -0.24 0.16 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.75 2jgj h LEU 254 N 0.25 0.00 -2.76 3.04 3.38 -1.02 0.14 115.31 118.34 2jgj h LEU 254 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2jgj h LEU 254 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jgj h LEU 254 CO -0.46 0.01 0.00 1.33 0.09 0.00 0.00 178.44 179.41 2jgj n VAL 255 N -4.15 0.97 -2.08 1.22 0.24 -0.83 -5.01 118.33 108.69 2jgj n VAL 255 Ca -0.03 -0.99 -0.02 0.00 -2.04 0.00 0.00 64.34 61.27 2jgj n VAL 255 Cb 0.09 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 2jgj n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgj n GLY 256 N 1.34 -0.82 0.00 7.63 0.00 0.51 -5.07 105.19 108.78 2jgj n GLY 256 Ca 0.21 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2jgj n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgj n ASN 265 N -0.09 0.00 0.05 0.00 2.85 -1.26 -4.14 115.26 112.66 2jgj n ASN 265 Ca 0.00 1.00 -0.05 0.00 -0.11 0.00 0.00 54.58 55.41 2jgj n ASN 265 Cb 0.00 -1.49 0.14 0.00 1.24 0.00 0.00 39.78 39.67 2jgj n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2jgj h ASP 266 N 3.47 0.42 -0.67 1.20 3.32 -2.01 -3.28 116.42 118.86 2jgj h ASP 266 Ca 0.00 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.88 2jgj h ASP 266 Cb 0.00 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2jgj h ASP 266 CO 0.00 0.82 0.43 0.74 -1.72 0.00 0.00 179.24 179.51 2jgj h THR 267 N 0.31 1.11 -0.43 0.35 2.02 -2.01 -2.14 112.91 112.13 2jgj h THR 267 Ca 0.02 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 2jgj h THR 267 Cb 0.94 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2jgj h THR 267 CO 0.08 0.15 -0.09 -0.33 0.37 0.00 0.00 175.52 175.71 2jgj h GLU 268 N 0.84 0.81 0.03 6.66 5.08 -1.99 -1.51 114.58 124.50 2jgj h GLU 268 Ca 0.26 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2jgj h GLU 268 Cb -0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2jgj h GLU 268 CO -0.09 0.92 -0.10 1.25 -1.00 0.00 0.00 179.01 179.99 2jgj h LEU 269 N 0.64 -0.29 -0.65 1.33 5.85 -1.59 -0.15 115.31 120.44 2jgj h LEU 269 Ca 0.11 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 2jgj h LEU 269 Cb 0.61 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2jgj h LEU 269 CO 0.04 -0.15 -0.27 0.40 -0.34 0.00 0.00 178.44 178.12 2jgj h ILE 270 N -0.19 1.28 -0.47 4.05 2.04 -1.35 0.33 117.51 123.19 2jgj h ILE 270 Ca 0.03 -1.40 -0.06 0.00 1.00 0.00 0.00 64.86 64.43 2jgj h ILE 270 Cb 0.22 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2jgj h ILE 270 CO -0.08 0.46 0.05 0.00 0.00 0.00 0.00 178.15 178.58 2jgj h ALA 271 N 1.04 1.20 -0.03 1.87 0.00 -1.11 0.38 119.26 122.61 2jgj h ALA 271 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jgj h ALA 271 Cb 0.79 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jgj h ALA 271 CO 0.07 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 2jgj h LEU 273 N -0.39 0.43 -1.77 0.00 3.38 -0.70 0.25 115.31 116.51 2jgj h LEU 273 Ca 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2jgj h LEU 273 Cb 0.51 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jgj h LEU 273 CO 0.01 0.18 -0.07 0.03 0.09 0.00 0.00 178.44 178.67 2jgj h ARG 274 N 0.43 0.00 0.00 1.13 3.08 -0.79 -2.41 114.38 115.83 2jgj h ARG 274 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2jgj h ARG 274 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2jgj h ARG 274 CO -0.18 0.07 -0.47 1.79 -1.07 0.00 0.00 179.97 180.11 2jgj h THR 275 N 0.00 0.00 -3.83 2.04 1.35 -0.87 -3.47 112.91 108.13 2jgj h THR 275 Ca -0.00 -0.51 -0.50 0.00 -0.55 0.00 0.00 66.41 64.84 2jgj h THR 275 Cb 0.43 1.20 0.02 0.00 -1.73 0.00 0.00 68.15 68.07 2jgj h THR 275 CO 0.01 0.00 0.49 -0.13 -0.25 0.00 0.00 175.52 175.64 2jgj s ARG 276 N -3.16 4.54 0.63 4.72 1.81 -0.91 -5.01 118.95 121.58 2jgj s ARG 276 Ca 0.07 1.83 -0.16 0.00 -1.72 0.00 0.00 55.73 55.75 2jgj s ARG 276 Cb 0.13 -3.10 -0.01 0.00 -0.45 0.00 0.00 34.95 31.51 2jgj s ARG 276 CO 0.69 0.11 1.14 -2.14 -0.68 0.00 0.00 175.30 174.42 2jgj s PRO 277 N -1.61 2.86 0.25 3.54 0.02 -1.26 -4.92 135.00 133.88 2jgj s PRO 277 Ca 0.47 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 62.98 2jgj s PRO 277 Cb -0.32 -1.95 0.40 0.00 0.02 0.00 0.00 34.50 32.65 2jgj s PRO 277 CO 0.41 -1.23 1.82 0.00 -0.33 0.00 0.00 177.00 177.67 2jgj h ALA 278 N 0.36 1.20 -0.47 -1.55 0.00 -1.96 -2.53 119.26 114.31 2jgj h ALA 278 Ca -0.48 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2jgj h ALA 278 Cb 1.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2jgj h ALA 278 CO 0.54 0.13 0.06 0.37 0.00 0.00 0.00 179.25 180.34 2jgj h GLN 279 N 0.82 0.74 -0.87 0.00 5.75 -1.99 -1.64 115.11 117.92 2jgj h GLN 279 Ca 0.40 -0.17 0.13 0.00 -0.15 0.00 0.00 58.65 58.87 2jgj h GLN 279 Cb 0.35 -0.10 -0.09 0.00 1.07 0.00 0.00 27.48 28.71 2jgj h GLN 279 CO -0.24 0.71 0.48 -0.44 -2.65 0.00 0.00 178.83 176.69 2jgj h ASP 280 N 0.71 0.63 -0.11 -0.69 5.19 -1.83 0.20 116.42 120.52 2jgj h ASP 280 Ca 0.15 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.55 2jgj h ASP 280 Cb 0.35 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.83 2jgj h ASP 280 CO 0.01 0.30 -0.26 -0.07 -3.12 0.00 0.00 179.24 176.09 2jgj h LEU 281 N 0.72 0.42 -0.72 1.55 3.38 -1.34 -3.02 115.31 116.31 2jgj h LEU 281 Ca 0.46 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2jgj h LEU 281 Cb 0.57 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2jgj h LEU 281 CO -0.32 0.93 0.45 0.58 0.09 0.00 0.00 178.44 180.16 2jgj h VAL 282 N -0.06 1.09 -0.37 1.22 2.07 -1.00 -1.47 116.25 117.73 2jgj h VAL 282 Ca -0.00 -0.30 0.11 0.00 0.82 0.00 0.00 66.70 67.33 2jgj h VAL 282 Cb 0.87 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2jgj h VAL 282 CO 0.06 0.16 0.39 0.44 0.02 0.00 0.00 177.57 178.63 2jgj h ASP 283 N 0.87 0.00 -0.01 0.57 3.32 -0.49 -2.72 116.42 117.97 2jgj h ASP 283 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2jgj h ASP 283 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2jgj h ASP 283 CO -0.11 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.82 2jgj n HIS 284 N -3.79 0.00 0.28 4.55 8.25 -0.72 -4.72 115.22 119.07 2jgj n HIS 284 Ca 0.06 -0.01 0.12 0.00 -0.26 0.00 0.00 57.72 57.64 2jgj n HIS 284 Cb 0.55 -0.00 0.79 0.00 1.12 0.00 0.00 29.99 32.45 2jgj n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jgj h GLU 285 N 1.06 0.00 0.00 -0.41 4.11 -0.96 -1.55 114.58 116.83 2jgj h GLU 285 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jgj h GLU 285 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jgj h GLU 285 CO 0.00 0.04 -0.13 0.91 0.07 0.00 0.00 179.01 179.91 2jgj n TRP 286 N -3.98 0.38 1.85 2.06 7.02 -1.26 -3.89 117.44 119.62 2jgj n TRP 286 Ca -0.03 0.11 0.05 0.00 -1.02 0.00 0.00 57.50 56.62 2jgj n TRP 286 Cb 0.13 -0.64 0.28 0.00 -2.42 0.00 0.00 31.31 28.66 2jgj n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jgj n HIS 287 N -1.83 0.05 0.53 -5.99 8.25 -0.58 -4.00 115.22 111.65 2jgj n HIS 287 Ca 0.06 -0.03 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 2jgj n HIS 287 Cb 0.38 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.50 2jgj n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2jgj n VAL 288 N -0.48 0.00 -2.38 1.59 0.24 -1.25 -5.01 118.33 111.04 2jgj n VAL 288 Ca 0.08 -0.41 -0.40 0.00 -2.04 0.00 0.00 64.34 61.57 2jgj n VAL 288 Cb 0.08 1.17 -0.04 0.00 -1.47 0.00 0.00 33.84 33.58 2jgj n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jgj s LEU 289 N -1.57 4.52 0.43 1.34 1.43 -1.26 -4.82 118.68 118.75 2jgj s LEU 289 Ca 0.11 2.37 0.18 0.00 -1.03 0.00 0.00 54.13 55.76 2jgj s LEU 289 Cb 0.10 -3.63 0.97 0.00 0.03 0.00 0.00 46.19 43.66 2jgj s LEU 289 CO 0.26 -0.25 1.91 1.55 0.23 0.00 0.00 176.35 180.06 2jgj h PRO 290 N 3.80 0.00 -4.45 1.29 0.13 -1.97 -3.44 132.00 127.36 2jgj h PRO 290 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 2jgj h PRO 290 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 2jgj h PRO 290 CO 0.67 0.27 -0.67 -0.65 -0.23 0.00 0.00 178.00 177.39 2jgj s GLN 291 N -4.19 0.84 -0.02 0.86 1.11 -1.26 -5.11 119.66 111.89 2jgj s GLN 291 Ca -0.03 -1.37 -0.33 0.00 0.01 0.00 0.00 55.36 53.64 2jgj s GLN 291 Cb 0.14 0.10 -0.11 0.00 -1.01 0.00 0.00 33.01 32.13 2jgj s GLN 291 CO 0.68 -0.17 1.86 -1.91 0.01 0.00 0.00 175.29 175.76 2jgj n GLU 292 N -0.05 2.35 -3.92 2.91 2.13 -1.26 -4.95 120.64 117.85 2jgj n GLU 292 Ca -0.09 0.86 -0.09 0.00 0.66 0.00 0.00 57.16 58.50 2jgj n GLU 292 Cb 0.62 -2.72 -0.04 0.00 0.27 0.00 0.00 31.44 29.57 2jgj n GLU 292 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2jgj s SER 293 N 3.67 -0.16 0.17 4.31 1.04 -1.26 -4.54 113.70 116.93 2jgj s SER 293 Ca 0.90 -0.77 0.07 0.00 0.48 0.00 0.00 55.95 56.62 2jgj s SER 293 Cb -0.63 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 2jgj s SER 293 CO 0.47 -1.17 -0.14 0.27 0.98 0.00 0.00 173.24 173.64 2jgj s ILE 294 N -3.97 1.59 -1.52 -1.02 -4.36 -1.12 -4.79 121.20 106.01 2jgj s ILE 294 Ca 0.17 -2.05 -0.04 0.00 -0.26 0.00 0.00 60.65 58.47 2jgj s ILE 294 Cb -0.02 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.82 2jgj s ILE 294 CO 0.06 -0.54 0.43 0.33 0.24 0.00 0.00 174.94 175.47 2jgj n PHE 295 N -0.07 -1.73 -4.75 1.37 -0.00 -1.26 -4.82 117.46 106.21 2jgj n PHE 295 Ca -0.11 0.38 -0.24 0.00 -0.00 0.00 0.00 57.45 57.49 2jgj n PHE 295 Cb 0.59 -4.02 -0.15 0.00 -0.00 0.00 0.00 39.48 35.91 2jgj n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2jgj s ARG 296 N -5.58 1.30 0.01 -4.13 1.81 -1.26 -4.74 118.95 106.36 2jgj s ARG 296 Ca 0.24 -0.59 0.05 0.00 -1.72 0.00 0.00 55.73 53.71 2jgj s ARG 296 Cb -0.11 -1.26 -0.02 0.00 -0.45 0.00 0.00 34.95 33.11 2jgj s ARG 296 CO 0.30 0.35 -0.14 -0.06 -0.68 0.00 0.00 175.30 175.06 2jgj s PHE 297 N -0.40 1.22 0.04 -0.53 0.08 -1.26 -5.06 117.98 112.07 2jgj s PHE 297 Ca 0.06 -0.29 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 2jgj s PHE 297 Cb -0.06 -0.76 -0.15 0.00 -0.57 0.00 0.00 43.02 41.48 2jgj s PHE 297 CO -0.01 0.01 1.38 0.77 -0.10 0.00 0.00 175.22 177.28 2jgj h SER 298 N 5.36 0.27 -3.71 1.36 0.02 -1.90 -3.41 113.55 111.54 2jgj h SER 298 Ca -0.36 -0.42 -0.65 0.00 -0.84 0.00 0.00 61.79 59.52 2jgj h SER 298 Cb 1.17 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.25 2jgj h SER 298 CO 0.46 0.63 -0.76 -0.36 -1.14 0.00 0.00 176.83 175.66 2jgj s PHE 299 N -4.54 3.21 0.31 3.45 0.08 -1.26 -5.02 117.98 114.20 2jgj s PHE 299 Ca -0.14 -2.46 0.03 0.00 0.12 0.00 0.00 56.93 54.48 2jgj s PHE 299 Cb 0.05 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 2jgj s PHE 299 CO 0.73 -0.89 0.13 0.14 -0.10 0.00 0.00 175.22 175.23 2jgj s VAL 300 N 1.11 0.49 0.22 -0.44 -7.23 -1.26 -4.46 120.40 108.82 2jgj s VAL 300 Ca 0.01 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.87 2jgj s VAL 300 Cb -0.19 -2.55 -0.15 0.00 0.56 0.00 0.00 36.38 34.05 2jgj s VAL 300 CO -0.08 0.00 1.05 -2.65 -0.31 0.00 0.00 175.10 173.11 2jgj n PRO 301 N -0.60 1.12 -4.45 4.82 -0.02 -1.24 -4.66 135.00 129.97 2jgj n PRO 301 Ca -0.00 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 2jgj n PRO 301 Cb 0.65 -1.81 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 2jgj n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jgj s VAL 302 N -0.57 3.93 -1.00 -1.45 0.11 -1.26 -1.28 120.40 118.88 2jgj s VAL 302 Ca 0.67 -0.52 -0.23 0.00 -2.93 0.00 0.00 61.98 58.97 2jgj s VAL 302 Cb -0.81 -2.68 0.01 0.00 -1.53 0.00 0.00 36.38 31.38 2jgj s VAL 302 CO 0.55 0.50 1.66 -0.69 -3.33 0.00 0.00 175.10 173.80 2jgj s VAL 303 N -0.93 3.75 -0.73 2.04 1.01 -0.78 -4.66 120.40 120.10 2jgj s VAL 303 Ca 0.15 -0.71 0.24 0.00 0.00 0.00 0.00 61.98 61.67 2jgj s VAL 303 Cb -0.11 -4.68 0.01 0.00 0.00 0.00 0.00 36.38 31.60 2jgj s VAL 303 CO 0.05 -1.56 1.30 -0.90 0.00 0.00 0.00 175.10 173.99 2jgj n ASP 304 N 10.85 0.62 -0.50 3.32 5.75 -1.23 -3.98 116.55 131.38 2jgj n ASP 304 Ca 0.37 -0.02 -0.06 0.00 -0.01 0.00 0.00 54.79 55.06 2jgj n ASP 304 Cb 0.49 0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 40.83 2jgj n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jgj n GLY 305 N 1.39 0.83 0.00 6.12 0.00 0.76 -4.91 105.19 109.37 2jgj n GLY 305 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2jgj n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgj n ASP 306 N 0.97 0.00 -0.14 1.61 2.03 -1.26 -4.63 116.55 115.12 2jgj n ASP 306 Ca -0.06 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.21 2jgj n ASP 306 Cb 0.23 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.68 2jgj n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jgj h PHE 307 N 0.00 0.10 -3.68 -0.67 3.04 -1.93 -3.34 116.94 110.47 2jgj h PHE 307 Ca 0.00 0.03 -0.69 0.00 3.98 0.00 0.00 57.97 61.29 2jgj h PHE 307 Cb 0.00 0.03 -0.33 0.00 2.56 0.00 0.00 35.95 38.20 2jgj h PHE 307 CO 0.00 -0.03 -0.65 -0.51 -2.02 0.00 0.00 178.31 175.10 2jgj s LEU 308 N -10.47 4.36 0.48 0.59 1.43 -1.26 -4.50 118.68 109.31 2jgj s LEU 308 Ca -0.13 -1.53 0.27 0.00 -1.03 0.00 0.00 54.13 51.71 2jgj s LEU 308 Cb 0.15 -1.75 0.86 0.00 0.03 0.00 0.00 46.19 45.48 2jgj s LEU 308 CO 0.72 -0.35 1.80 0.77 0.23 0.00 0.00 176.35 179.52 2jgj h SER 309 N 8.01 0.00 -3.09 2.29 4.64 -1.82 0.22 113.55 123.78 2jgj h SER 309 Ca -0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.02 2jgj h SER 309 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 2jgj h SER 309 CO 0.58 0.07 0.06 -0.67 -0.87 0.00 0.00 176.83 176.01 2jgj n ASP 310 N -3.15 -1.55 -4.76 4.97 -0.08 -1.26 -4.46 116.55 106.25 2jgj n ASP 310 Ca 0.02 -2.45 -0.39 0.00 -1.51 0.00 0.00 54.79 50.46 2jgj n ASP 310 Cb 0.43 2.70 0.01 0.00 2.34 0.00 0.00 41.12 46.60 2jgj n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jgj s THR 311 N -2.49 2.30 0.28 5.18 -4.23 -1.26 -4.81 115.64 110.61 2jgj s THR 311 Ca 0.18 0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2jgj s THR 311 Cb -0.03 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 70.95 2jgj s THR 311 CO 0.13 0.03 1.68 -0.65 -0.54 0.00 0.00 174.62 175.27 2jgj h PRO 312 N 2.25 0.31 -0.76 3.99 0.11 -1.98 0.20 132.00 136.12 2jgj h PRO 312 Ca -0.50 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.64 2jgj h PRO 312 Cb 1.26 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2jgj h PRO 312 CO 0.61 0.20 0.46 0.93 -0.21 0.00 0.00 178.00 179.99 2jgj h GLU 313 N 0.31 0.83 -0.46 1.05 3.07 -1.90 -1.17 114.58 116.30 2jgj h GLU 313 Ca 0.54 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.26 2jgj h GLU 313 Cb 1.03 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 2jgj h GLU 313 CO -0.57 0.55 -0.07 0.00 -1.40 0.00 0.00 179.01 177.52 2jgj h ALA 314 N 1.36 0.63 0.00 3.43 0.00 -1.38 -2.92 119.26 120.38 2jgj h ALA 314 Ca 0.33 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2jgj h ALA 314 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jgj h ALA 314 CO -0.16 0.49 -0.42 -0.07 0.00 0.00 0.00 179.25 179.09 2jgj h LEU 315 N 0.71 0.00 0.00 0.00 3.38 -0.67 -2.80 115.31 115.93 2jgj h LEU 315 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2jgj h LEU 315 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2jgj h LEU 315 CO 0.04 0.42 -0.81 0.16 0.09 0.00 0.00 178.44 178.33 2jgj h ILE 316 N 0.00 0.73 0.00 1.22 3.07 -1.26 -2.56 117.51 118.71 2jgj h ILE 316 Ca -0.00 -2.12 0.00 0.00 1.55 0.00 0.00 64.86 64.28 2jgj h ILE 316 Cb 0.86 2.28 0.00 0.00 -0.27 0.00 0.00 36.82 39.68 2jgj h ILE 316 CO 0.05 0.42 0.00 0.78 -1.05 0.00 0.00 178.15 178.35 2jgj h ASN 317 N 0.00 0.00 0.00 2.16 -0.26 -1.30 -3.36 115.58 112.82 2jgj h ASN 317 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2jgj h ASN 317 Cb 1.44 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.70 2jgj h ASN 317 CO 0.06 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 176.78 2jgj n THR 318 N -2.72 0.24 -2.22 2.81 -2.24 -1.10 -5.09 114.28 103.95 2jgj n THR 318 Ca 0.04 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 2jgj n THR 318 Cb 0.47 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2jgj n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jgj s GLY 319 N -0.24 1.60 -0.35 3.38 0.00 -0.96 -5.05 107.32 105.70 2jgj s GLY 319 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 2jgj s GLY 319 CO 0.00 -0.05 0.23 -0.35 0.00 0.00 0.00 173.10 172.93 2jgj s ASP 320 N -4.13 5.93 -0.25 1.64 2.15 -1.26 -4.95 116.67 115.80 2jgj s ASP 320 Ca 0.52 -0.55 0.10 0.00 0.43 0.00 0.00 52.55 53.04 2jgj s ASP 320 Cb -0.11 -2.10 0.45 0.00 -0.30 0.00 0.00 42.92 40.86 2jgj s ASP 320 CO 0.50 -0.27 1.19 0.49 -0.17 0.00 0.00 175.17 176.91 2jgj n PHE 321 N 5.08 1.65 -0.07 -5.34 3.72 -0.84 -4.83 117.46 116.82 2jgj n PHE 321 Ca -0.13 -1.91 -0.08 0.00 -0.05 0.00 0.00 57.45 55.28 2jgj n PHE 321 Cb 0.49 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 2jgj n PHE 321 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2jgj h GLN 322 N 1.78 0.23 -0.13 -1.08 4.15 -1.76 -0.01 115.11 118.28 2jgj h GLN 322 Ca 0.19 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2jgj h GLN 322 Cb 1.36 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2jgj h GLN 322 CO 0.45 0.15 0.00 -0.40 -1.93 0.00 0.00 178.83 177.10 2jgj n ASP 323 N -5.01 1.24 -4.81 -0.69 5.75 -1.26 -4.47 116.55 107.30 2jgj n ASP 323 Ca -0.01 -1.66 -0.37 0.00 -0.01 0.00 0.00 54.79 52.74 2jgj n ASP 323 Cb 0.09 -0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2jgj n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jgj s LEU 324 N -1.52 4.33 -0.14 -2.12 2.96 -1.11 -5.00 118.68 116.07 2jgj s LEU 324 Ca 0.30 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2jgj s LEU 324 Cb 0.16 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 2jgj s LEU 324 CO 0.24 0.28 -0.16 -1.10 -1.32 0.00 0.00 176.35 174.28 2jgj s GLN 325 N -0.39 3.21 -0.03 1.98 1.11 -1.26 -0.48 119.66 123.80 2jgj s GLN 325 Ca 0.15 -0.76 0.02 0.00 0.01 0.00 0.00 55.36 54.78 2jgj s GLN 325 Cb -0.13 -2.58 0.01 0.00 -1.01 0.00 0.00 33.01 29.30 2jgj s GLN 325 CO 0.04 0.06 -0.09 0.08 0.01 0.00 0.00 175.29 175.39 2jgj s VAL 326 N 0.69 0.77 -0.17 1.09 1.01 0.08 -2.18 120.40 121.69 2jgj s VAL 326 Ca -0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2jgj s VAL 326 Cb -0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2jgj s VAL 326 CO 0.02 0.25 -0.03 -0.22 0.00 0.00 0.00 175.10 175.12 2jgj s LEU 327 N 0.31 3.26 0.02 3.92 2.96 -0.28 -1.04 118.68 127.83 2jgj s LEU 327 Ca -0.05 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2jgj s LEU 327 Cb -0.10 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 2jgj s LEU 327 CO 0.01 0.14 -0.03 0.68 -1.32 0.00 0.00 176.35 175.83 2jgj s VAL 328 N 0.52 0.17 -0.02 1.68 -7.23 -0.21 -0.08 120.40 115.23 2jgj s VAL 328 Ca -0.03 -0.67 -0.17 0.00 -1.81 0.00 0.00 61.98 59.30 2jgj s VAL 328 Cb -0.14 -0.26 0.06 0.00 0.56 0.00 0.00 36.38 36.60 2jgj s VAL 328 CO 0.03 -0.32 0.78 0.61 -0.31 0.00 0.00 175.10 175.89 2jgj n GLY 329 N 2.03 0.37 3.17 2.32 0.00 -1.04 -1.58 105.19 110.45 2jgj n GLY 329 Ca -0.20 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 2jgj n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jgj s VAL 330 N -2.07 0.16 0.53 1.61 -7.23 -1.03 -0.95 120.40 111.42 2jgj s VAL 330 Ca 0.18 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 2jgj s VAL 330 Cb -0.00 -1.52 0.03 0.00 0.56 0.00 0.00 36.38 35.45 2jgj s VAL 330 CO -0.00 -0.74 0.74 0.68 -0.31 0.00 0.00 175.10 175.47 2jgj s VAL 331 N -3.91 2.71 0.23 1.32 -7.23 -1.26 0.18 120.40 112.45 2jgj s VAL 331 Ca 0.09 -0.72 -0.03 0.00 -1.81 0.00 0.00 61.98 59.51 2jgj s VAL 331 Cb 0.06 -2.99 0.06 0.00 0.56 0.00 0.00 36.38 34.07 2jgj s VAL 331 CO -0.08 0.00 1.67 0.50 -0.31 0.00 0.00 175.10 176.88 2jgj h LYS 332 N 0.16 0.74 -2.21 4.82 3.64 -1.25 -3.36 116.57 119.11 2jgj h LYS 332 Ca -0.42 -0.27 -0.59 0.00 -1.27 0.00 0.00 60.65 58.10 2jgj h LYS 332 Cb 1.29 -0.05 -0.41 0.00 -0.41 0.00 0.00 32.23 32.65 2jgj h LYS 332 CO 0.51 0.87 -0.72 -0.25 -2.27 0.00 0.00 179.45 177.58 2jgj n ASP 333 N -4.14 2.76 -0.07 4.20 9.92 -0.05 -4.92 116.55 124.25 2jgj n ASP 333 Ca 0.01 -3.23 0.04 0.00 -0.53 0.00 0.00 54.79 51.08 2jgj n ASP 333 Cb 0.40 -0.67 0.39 0.00 -0.64 0.00 0.00 41.12 40.60 2jgj n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jgj h GLU 334 N 4.25 0.63 0.00 -1.24 4.39 -1.75 -3.25 114.58 117.61 2jgj h GLU 334 Ca 0.17 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 2jgj h GLU 334 Cb 0.73 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 2jgj h GLU 334 CO 0.73 0.42 -1.34 0.41 -1.16 0.00 0.00 179.01 178.06 2jgj n GLY 335 N -1.47 -1.28 0.26 -3.84 0.00 -1.25 -4.22 105.19 93.38 2jgj n GLY 335 Ca 0.05 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.88 2jgj n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgj h SER 336 N 0.00 0.26 -0.68 1.61 4.64 -1.76 -1.95 113.55 115.67 2jgj h SER 336 Ca -0.09 0.09 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 2jgj h SER 336 Cb 1.30 0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 63.38 2jgj h SER 336 CO 0.02 0.13 0.29 0.22 -0.87 0.00 0.00 176.83 176.61 2jgj h TYR 337 N 0.44 0.50 0.00 4.77 3.20 -1.82 -2.59 116.97 121.47 2jgj h TYR 337 Ca 0.36 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 2jgj h TYR 337 Cb 0.50 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2jgj h TYR 337 CO -0.17 0.13 -0.02 0.74 -1.64 0.00 0.00 178.16 177.20 2jgj h PHE 338 N 0.48 0.00 0.00 -3.82 -1.00 -1.64 -3.22 116.94 107.74 2jgj h PHE 338 Ca 0.35 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.04 2jgj h PHE 338 Cb 0.45 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 2jgj h PHE 338 CO -0.15 0.02 -0.43 -0.07 -1.61 0.00 0.00 178.31 176.07 2jgj h LEU 339 N 0.00 0.00 -0.00 1.54 3.38 -1.49 -2.91 115.31 115.83 2jgj h LEU 339 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jgj h LEU 339 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jgj h LEU 339 CO 0.00 0.43 -0.16 1.33 0.09 0.00 0.00 178.44 180.14 2jgj n VAL 340 N -3.59 0.00 -1.14 1.22 0.24 -1.22 -2.26 118.33 111.58 2jgj n VAL 340 Ca -0.00 -0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 2jgj n VAL 340 Cb 0.53 -0.26 0.16 0.00 -1.47 0.00 0.00 33.84 32.80 2jgj n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgj n TYR 341 N -1.49 2.95 0.00 6.34 4.02 -1.10 -4.75 117.16 123.13 2jgj n TYR 341 Ca 0.07 -1.90 0.00 0.00 -0.01 0.00 0.00 57.90 56.06 2jgj n TYR 341 Cb 0.34 -0.97 0.00 0.00 -0.02 0.00 0.00 39.34 38.69 2jgj n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jgj n GLY 342 N -1.05 -0.13 3.57 2.72 0.00 -1.24 -4.92 105.19 104.14 2jgj n GLY 342 Ca 0.57 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.21 2jgj n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgj s VAL 343 N 0.00 5.22 0.35 1.61 1.01 -0.96 -4.98 120.40 122.66 2jgj s VAL 343 Ca 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.79 2jgj s VAL 343 Cb 0.00 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 2jgj s VAL 343 CO 0.00 0.23 1.35 -2.84 0.00 0.00 0.00 175.10 173.84 2jgj s PRO 344 N 1.74 4.24 0.00 2.72 0.02 -1.26 -2.64 135.00 139.83 2jgj s PRO 344 Ca 0.07 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2jgj s PRO 344 Cb -0.16 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2jgj s PRO 344 CO 0.10 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 2jgj n GLY 345 N 0.70 1.92 3.88 0.52 0.00 -1.26 -4.93 105.19 106.01 2jgj n GLY 345 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2jgj n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jgj s PHE 346 N -1.97 3.61 0.12 1.61 0.40 -1.08 -4.61 117.98 116.05 2jgj s PHE 346 Ca 0.00 0.55 -0.17 0.00 -0.60 0.00 0.00 56.93 56.71 2jgj s PHE 346 Cb 0.00 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.61 2jgj s PHE 346 CO 0.00 0.73 0.43 0.45 0.70 0.00 0.00 175.22 177.53 2jgj s SER 347 N -1.07 -0.28 0.19 1.36 0.15 -1.26 -4.72 113.70 108.06 2jgj s SER 347 Ca 0.16 -0.23 0.26 0.00 0.70 0.00 0.00 55.95 56.84 2jgj s SER 347 Cb -0.12 0.48 0.71 0.00 -1.71 0.00 0.00 66.02 65.38 2jgj s SER 347 CO 0.05 -0.84 1.68 2.29 1.20 0.00 0.00 173.24 177.62 2jgj n LYS 348 N -0.15 0.27 0.00 5.44 2.85 -1.26 -4.03 118.16 121.28 2jgj n LYS 348 Ca -0.16 0.19 0.11 0.00 -1.05 0.00 0.00 58.31 57.40 2jgj n LYS 348 Cb 0.63 -1.78 0.02 0.00 -0.65 0.00 0.00 35.03 33.26 2jgj n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jgj n ASP 349 N -2.23 1.93 -3.89 -5.58 8.00 -1.26 -4.40 116.55 109.12 2jgj n ASP 349 Ca 0.05 -1.46 -0.14 0.00 0.71 0.00 0.00 54.79 53.95 2jgj n ASP 349 Cb 0.43 0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 41.91 2jgj n ASP 349 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jgj s ASN 350 N -2.50 0.64 0.00 -2.24 2.20 -1.26 -5.04 114.94 106.74 2jgj s ASN 350 Ca 0.19 -1.48 0.08 0.00 -0.94 0.00 0.00 52.86 50.70 2jgj s ASN 350 Cb 0.18 0.46 0.36 0.00 -2.00 0.00 0.00 41.25 40.25 2jgj s ASN 350 CO 0.58 -0.94 1.19 -0.62 -2.94 0.00 0.00 177.10 174.37 2jgj n GLU 351 N -0.40 0.05 -3.92 3.55 -0.58 -1.26 -4.65 120.64 113.43 2jgj n GLU 351 Ca 0.03 0.30 -0.29 0.00 -0.42 0.00 0.00 57.16 56.78 2jgj n GLU 351 Cb 0.64 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 30.03 2jgj n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jgj n SER 352 N -1.41 -3.78 -4.63 1.62 7.64 -1.26 -4.90 113.62 106.89 2jgj n SER 352 Ca 0.03 -0.83 -0.43 0.00 1.01 0.00 0.00 58.87 58.65 2jgj n SER 352 Cb 0.08 -3.73 -0.02 0.00 -1.01 0.00 0.00 64.21 59.52 2jgj n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jgj s LEU 353 N -7.17 3.93 0.35 -3.43 1.43 -1.26 -4.71 118.68 107.83 2jgj s LEU 353 Ca 0.53 1.34 0.08 0.00 -1.03 0.00 0.00 54.13 55.05 2jgj s LEU 353 Cb -0.27 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 2jgj s LEU 353 CO 0.84 -1.05 0.24 0.27 0.23 0.00 0.00 176.35 176.88 2jgj s ILE 354 N 4.34 3.12 0.57 -0.59 -4.36 -1.24 -5.02 121.20 118.02 2jgj s ILE 354 Ca 0.58 -1.52 0.01 0.00 -0.26 0.00 0.00 60.65 59.47 2jgj s ILE 354 Cb -0.19 -3.06 0.04 0.00 1.25 0.00 0.00 42.46 40.50 2jgj s ILE 354 CO 0.23 -0.14 0.79 -0.94 0.24 0.00 0.00 174.94 175.12 2jgj s SER 355 N -3.95 5.18 0.26 4.36 1.04 -1.26 -4.18 113.70 115.15 2jgj s SER 355 Ca 0.41 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.73 2jgj s SER 355 Cb -0.03 -0.76 0.31 0.00 0.10 0.00 0.00 66.02 65.63 2jgj s SER 355 CO 0.25 -1.21 1.82 -0.09 0.98 0.00 0.00 173.24 174.99 2jgj h ARG 356 N 0.02 1.00 -0.33 4.02 2.43 -1.89 -1.23 114.38 118.40 2jgj h ARG 356 Ca -0.41 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2jgj h ARG 356 Cb 1.29 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2jgj h ARG 356 CO 0.51 0.83 0.21 0.00 -1.51 0.00 0.00 179.97 180.01 2jgj h ALA 357 N 1.29 0.42 0.00 2.80 0.00 -1.99 -1.32 119.26 120.46 2jgj h ALA 357 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jgj h ALA 357 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jgj h ALA 357 CO -0.02 -0.09 -0.11 1.96 0.00 0.00 0.00 179.25 180.99 2jgj h GLN 358 N 0.44 0.00 0.10 0.00 4.20 -1.85 -1.94 115.11 116.06 2jgj h GLN 358 Ca 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2jgj h GLN 358 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2jgj h GLN 358 CO -0.02 0.11 -0.05 0.35 -0.67 0.00 0.00 178.83 178.55 2jgj h PHE 359 N 0.00 -0.13 -0.72 2.96 3.04 -0.40 -1.66 116.94 120.04 2jgj h PHE 359 Ca -0.00 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.97 2jgj h PHE 359 Cb 0.29 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.80 2jgj h PHE 359 CO 0.00 0.35 0.48 -0.07 -2.02 0.00 0.00 178.31 177.05 2jgj h LEU 360 N -0.68 0.78 -0.49 0.59 3.38 -0.94 -0.42 115.31 117.53 2jgj h LEU 360 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2jgj h LEU 360 Cb 0.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2jgj h LEU 360 CO 0.02 0.55 -0.28 0.00 0.09 0.00 0.00 178.44 178.81 2jgj h ALA 361 N 1.57 0.68 -0.37 1.53 0.00 -1.45 -3.05 119.26 118.17 2jgj h ALA 361 Ca 0.28 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2jgj h ALA 361 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jgj h ALA 361 CO -0.07 0.67 0.00 0.78 0.00 0.00 0.00 179.25 180.63 2jgj h GLY 362 N 0.86 0.63 1.18 0.00 0.00 -0.41 -2.55 103.07 102.78 2jgj h GLY 362 Ca 0.09 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 2jgj h GLY 362 CO 0.08 0.35 0.05 -2.08 0.00 0.00 0.00 176.54 174.95 2jgj h VAL 363 N 0.56 1.26 -0.63 4.60 2.07 -1.07 -0.21 116.25 122.83 2jgj h VAL 363 Ca 0.12 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 2jgj h VAL 363 Cb 0.35 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2jgj h VAL 363 CO 0.01 0.38 0.20 0.03 0.02 0.00 0.00 177.57 178.21 2jgj h ARG 364 N 0.93 0.95 0.06 1.57 2.47 -1.35 0.15 114.38 119.15 2jgj h ARG 364 Ca 0.18 -0.18 -0.26 0.00 -1.26 0.00 0.00 59.98 58.45 2jgj h ARG 364 Cb 0.46 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2jgj h ARG 364 CO 0.02 0.81 -1.10 0.82 0.56 0.00 0.00 179.97 181.08 2jgj h ILE 365 N 0.92 1.35 0.00 2.04 2.04 -1.37 -3.01 117.51 119.48 2jgj h ILE 365 Ca 0.21 -2.50 -0.11 0.00 1.00 0.00 0.00 64.86 63.45 2jgj h ILE 365 Cb 0.26 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 2jgj h ILE 365 CO -0.01 0.75 -0.54 1.23 0.00 0.00 0.00 178.15 179.58 2jgj h GLY 366 N 0.83 0.00 -5.82 5.37 0.00 -0.89 -2.98 103.07 99.58 2jgj h GLY 366 Ca -0.13 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.60 2jgj h GLY 366 CO 0.20 0.00 -0.63 -0.62 0.00 0.00 0.00 176.54 175.50 2jgj n VAL 367 N -3.26 2.59 0.29 4.60 0.31 0.50 -4.86 118.33 118.51 2jgj n VAL 367 Ca 0.02 -5.35 0.15 0.00 -0.01 0.00 0.00 64.34 59.15 2jgj n VAL 367 Cb 0.74 -1.79 0.89 0.00 -0.91 0.00 0.00 33.84 32.77 2jgj n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jgj h PRO 368 N 3.67 0.00 -0.01 5.55 0.13 -1.61 -1.60 132.00 138.13 2jgj h PRO 368 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2jgj h PRO 368 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2jgj h PRO 368 CO 0.82 0.04 -0.08 0.00 -0.23 0.00 0.00 178.00 178.55 2jgj n GLN 369 N -3.68 1.09 -2.57 0.86 0.00 -1.26 -4.90 117.38 106.91 2jgj n GLN 369 Ca -0.03 -0.48 -0.41 0.00 0.00 0.00 0.00 57.00 56.09 2jgj n GLN 369 Cb 0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 28.84 2jgj n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jgj s ALA 370 N -2.24 3.35 1.01 2.61 0.00 -0.60 -5.06 121.76 120.83 2jgj s ALA 370 Ca 0.34 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 2jgj s ALA 370 Cb 0.21 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 20.02 2jgj s ALA 370 CO 0.42 -0.13 0.04 -1.13 0.00 0.00 0.00 175.76 174.96 2jgj n SER 371 N 2.23 -1.24 -0.01 0.00 3.41 -1.26 -4.76 113.62 112.00 2jgj n SER 371 Ca 0.02 -0.43 -0.18 0.00 -0.26 0.00 0.00 58.87 58.02 2jgj n SER 371 Cb 0.47 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 2jgj n SER 371 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jgj h ASP 372 N -1.25 0.74 0.52 4.04 5.19 -1.99 -2.71 116.42 120.96 2jgj h ASP 372 Ca -0.02 -0.69 -0.02 0.00 -0.62 0.00 0.00 57.03 55.69 2jgj h ASP 372 Cb 0.05 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.33 2jgj h ASP 372 CO 0.01 1.32 -0.30 0.25 -3.12 0.00 0.00 179.24 177.40 2jgj h LEU 373 N 0.23 -0.74 -0.80 1.55 5.85 -1.98 -1.95 115.31 117.47 2jgj h LEU 373 Ca -0.07 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.78 2jgj h LEU 373 Cb 1.36 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.53 2jgj h LEU 373 CO 0.14 -0.48 0.45 0.00 -0.34 0.00 0.00 178.44 178.21 2jgj h ALA 374 N -0.33 1.13 -0.43 1.25 0.00 -1.92 0.16 119.26 119.12 2jgj h ALA 374 Ca -0.06 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jgj h ALA 374 Cb 0.62 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2jgj h ALA 374 CO 0.08 0.08 0.22 0.00 0.00 0.00 0.00 179.25 179.63 2jgj h ALA 375 N 1.44 0.54 -0.74 0.00 0.00 -1.37 0.57 119.26 119.70 2jgj h ALA 375 Ca 0.38 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 2jgj h ALA 375 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2jgj h ALA 375 CO -0.24 -0.13 0.29 1.49 0.00 0.00 0.00 179.25 180.66 2jgj h GLU 376 N 0.45 1.11 -0.32 0.00 4.57 -0.40 -0.87 114.58 119.12 2jgj h GLU 376 Ca 0.19 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2jgj h GLU 376 Cb 0.08 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2jgj h GLU 376 CO -0.12 0.91 0.17 0.00 -1.18 0.00 0.00 179.01 178.78 2jgj h ALA 377 N 1.23 0.39 -0.34 2.92 0.00 0.11 0.29 119.26 123.85 2jgj h ALA 377 Ca 0.25 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2jgj h ALA 377 Cb 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2jgj h ALA 377 CO -0.02 -0.21 0.08 0.28 0.00 0.00 0.00 179.25 179.38 2jgj h VAL 378 N 0.34 0.84 -0.58 0.00 2.07 -0.43 -0.81 116.25 117.68 2jgj h VAL 378 Ca 0.13 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 2jgj h VAL 378 Cb 0.03 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2jgj h VAL 378 CO -0.08 0.04 0.16 0.58 0.02 0.00 0.00 177.57 178.29 2jgj h VAL 379 N 0.20 1.25 -0.49 2.57 2.07 -0.81 -1.42 116.25 119.62 2jgj h VAL 379 Ca 0.16 -0.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 2jgj h VAL 379 Cb 0.17 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2jgj h VAL 379 CO -0.20 0.32 -0.15 -0.07 0.02 0.00 0.00 177.57 177.49 2jgj h LEU 380 N 0.83 0.94 -0.58 2.57 3.38 -0.67 -0.88 115.31 120.90 2jgj h LEU 380 Ca 0.19 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2jgj h LEU 380 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2jgj h LEU 380 CO -0.00 1.08 0.14 -0.74 0.09 0.00 0.00 178.44 179.01 2jgj h HIS 381 N 0.83 0.98 0.00 1.13 2.76 -0.90 -3.25 115.15 116.69 2jgj h HIS 381 Ca 0.12 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2jgj h HIS 381 Cb 0.69 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2jgj h HIS 381 CO 0.04 0.83 -0.75 0.66 -1.30 0.00 0.00 177.93 177.41 2jgj n TYR 382 N -4.37 0.49 -2.05 5.26 4.02 -0.56 -4.85 117.16 115.09 2jgj n TYR 382 Ca 0.03 0.14 -0.41 0.00 -0.01 0.00 0.00 57.90 57.65 2jgj n TYR 382 Cb 0.24 -0.61 -0.02 0.00 -0.02 0.00 0.00 39.34 38.93 2jgj n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jgj s THR 383 N -3.18 2.78 -0.61 -0.72 2.01 -0.35 -4.93 115.64 110.64 2jgj s THR 383 Ca 0.05 0.65 -0.22 0.00 0.31 0.00 0.00 61.69 62.48 2jgj s THR 383 Cb 0.14 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 69.30 2jgj s THR 383 CO 0.75 0.10 0.89 -0.62 -0.69 0.00 0.00 174.62 175.05 2jgj s ASP 384 N 0.38 6.22 0.00 3.53 -1.08 -1.26 -4.94 116.67 119.51 2jgj s ASP 384 Ca 0.59 -0.89 0.12 0.00 -0.52 0.00 0.00 52.55 51.85 2jgj s ASP 384 Cb -0.41 -2.40 0.50 0.00 -1.46 0.00 0.00 42.92 39.16 2jgj s ASP 384 CO 0.42 -1.30 1.36 0.79 0.52 0.00 0.00 175.17 176.96 2jgj n TRP 385 N 7.33 0.00 -0.03 -5.34 7.02 -1.26 -1.30 117.44 123.86 2jgj n TRP 385 Ca -0.04 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.30 2jgj n TRP 385 Cb 0.46 -0.48 -0.11 0.00 -2.42 0.00 0.00 31.31 28.76 2jgj n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2jgj h LEU 386 N 0.00 0.24 -5.50 -0.99 3.38 -2.04 -3.39 115.31 107.00 2jgj h LEU 386 Ca 0.00 -0.71 -0.58 0.00 0.09 0.00 0.00 57.88 56.68 2jgj h LEU 386 Cb 0.19 -0.07 -0.42 0.00 0.09 0.00 0.00 40.66 40.45 2jgj h LEU 386 CO 0.00 0.91 -0.67 1.41 0.09 0.00 0.00 178.44 180.17 2jgj n HIS 387 N -4.53 3.68 0.20 1.13 8.25 -0.48 -4.96 115.22 118.50 2jgj n HIS 387 Ca -0.09 -4.01 0.11 0.00 -0.26 0.00 0.00 57.72 53.47 2jgj n HIS 387 Cb 0.47 -0.50 0.55 0.00 1.12 0.00 0.00 29.99 31.64 2jgj n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jgj n PRO 388 N -0.00 0.14 -0.02 -0.41 -0.04 -0.42 -2.09 135.00 132.16 2jgj n PRO 388 Ca 0.30 0.60 0.02 0.00 -0.04 0.00 0.00 63.50 64.38 2jgj n PRO 388 Cb 0.41 -1.93 0.03 0.00 -0.04 0.00 0.00 33.50 31.97 2jgj n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jgj n GLU 389 N -2.23 0.70 -1.99 0.54 -0.58 -1.26 -4.87 120.64 110.96 2jgj n GLU 389 Ca -0.01 -1.06 -0.42 0.00 -0.42 0.00 0.00 57.16 55.25 2jgj n GLU 389 Cb 0.07 -1.08 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 2jgj n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jgj s ASP 390 N -0.55 6.55 0.29 1.62 2.15 -0.89 -4.78 116.67 121.07 2jgj s ASP 390 Ca 0.06 2.13 -0.01 0.00 0.43 0.00 0.00 52.55 55.16 2jgj s ASP 390 Cb 0.03 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.56 2jgj s ASP 390 CO 0.05 -1.04 1.90 -0.65 -0.17 0.00 0.00 175.17 175.26 2jgj h PRO 391 N 10.06 0.93 -0.43 4.34 0.11 -1.91 -1.62 132.00 143.48 2jgj h PRO 391 Ca -0.39 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 2jgj h PRO 391 Cb 1.18 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2jgj h PRO 391 CO 0.96 0.72 -0.08 1.15 -0.21 0.00 0.00 178.00 180.54 2jgj h THR 392 N 0.93 1.27 -0.21 -1.15 2.02 -1.91 -0.91 112.91 112.94 2jgj h THR 392 Ca 0.23 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 2jgj h THR 392 Cb 0.09 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2jgj h THR 392 CO -0.03 0.40 0.04 -0.74 0.37 0.00 0.00 175.52 175.55 2jgj h HIS 393 N 0.63 0.37 -0.66 3.16 -0.00 -1.87 -1.77 115.15 115.02 2jgj h HIS 393 Ca 0.11 -0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.45 2jgj h HIS 393 Cb 0.60 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.87 2jgj h HIS 393 CO 0.05 0.48 0.43 -0.07 -0.00 0.00 0.00 177.93 178.82 2jgj h LEU 394 N 0.16 0.72 -0.16 0.26 3.38 -1.24 0.39 115.31 118.82 2jgj h LEU 394 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2jgj h LEU 394 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jgj h LEU 394 CO 0.00 0.51 0.06 -0.09 0.09 0.00 0.00 178.44 179.01 2jgj h ARG 395 N 0.85 0.25 0.00 1.13 1.12 -0.95 -1.33 114.38 115.46 2jgj h ARG 395 Ca 0.25 -0.05 -0.11 0.00 -1.11 0.00 0.00 59.98 58.96 2jgj h ARG 395 Cb -0.03 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 29.87 2jgj h ARG 395 CO -0.06 0.36 -0.51 -0.44 -3.11 0.00 0.00 179.97 176.20 2jgj h ASP 396 N 0.10 0.00 -0.10 -3.80 3.32 -0.58 -2.80 116.42 112.55 2jgj h ASP 396 Ca 0.05 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.90 2jgj h ASP 396 Cb 0.21 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.77 2jgj h ASP 396 CO -0.00 0.51 -0.72 0.00 -1.72 0.00 0.00 179.24 177.32 2jgj h ALA 397 N 1.49 0.22 -0.70 3.45 0.00 -0.14 -2.04 119.26 121.54 2jgj h ALA 397 Ca -0.01 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.42 2jgj h ALA 397 Cb 1.16 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 2jgj h ALA 397 CO 0.07 0.56 0.34 1.98 0.00 0.00 0.00 179.25 182.19 2jgj h MET 398 N 0.33 0.56 -0.47 0.00 1.85 -1.14 0.64 114.93 116.69 2jgj h MET 398 Ca -0.06 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 2jgj h MET 398 Cb 1.36 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 33.24 2jgj h MET 398 CO 0.15 0.37 0.30 1.03 -0.40 0.00 0.00 176.91 178.35 2jgj h SER 399 N 0.57 0.55 -0.18 1.39 0.87 -1.42 -2.98 113.55 112.35 2jgj h SER 399 Ca 0.35 -0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.72 2jgj h SER 399 Cb 0.38 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2jgj h SER 399 CO -0.28 0.42 -0.43 0.00 -0.53 0.00 0.00 176.83 176.02 2jgj h ALA 400 N 1.15 0.70 -0.64 6.23 0.00 -0.52 0.70 119.26 126.87 2jgj h ALA 400 Ca 0.17 -0.46 0.12 0.00 0.00 0.00 0.00 54.91 54.74 2jgj h ALA 400 Cb -0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 2jgj h ALA 400 CO -0.03 0.67 0.18 0.28 0.00 0.00 0.00 179.25 180.35 2jgj h VAL 401 N 0.59 0.66 0.25 0.00 2.07 -0.84 0.32 116.25 119.29 2jgj h VAL 401 Ca 0.04 -0.11 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 2jgj h VAL 401 Cb 0.98 0.31 0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2jgj h VAL 401 CO 0.09 0.06 -1.42 0.58 0.02 0.00 0.00 177.57 176.90 2jgj h VAL 402 N 0.32 1.30 -0.60 2.57 2.07 -1.31 -1.91 116.25 118.69 2jgj h VAL 402 Ca 0.34 -2.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 2jgj h VAL 402 Cb 0.50 3.06 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 2jgj h VAL 402 CO -0.39 0.80 0.34 1.23 0.02 0.00 0.00 177.57 179.56 2jgj h GLY 403 N 0.10 0.89 0.68 2.17 0.00 -0.71 -2.83 103.07 103.38 2jgj h GLY 403 Ca -0.25 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.56 2jgj h GLY 403 CO 0.27 0.38 -0.48 -0.55 0.00 0.00 0.00 176.54 176.16 2jgj h ASP 404 N 0.82 0.43 -0.92 0.19 3.32 -0.37 -1.24 116.42 118.65 2jgj h ASP 404 Ca 0.21 -0.76 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 2jgj h ASP 404 Cb 0.03 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2jgj h ASP 404 CO -0.04 1.14 0.52 -0.74 -1.72 0.00 0.00 179.24 178.40 2jgj h HIS 405 N -0.22 1.25 0.00 4.55 2.76 -1.45 -0.72 115.15 121.32 2jgj h HIS 405 Ca -0.06 -0.02 -0.35 0.00 -2.20 0.00 0.00 60.37 57.73 2jgj h HIS 405 Cb 1.21 -0.40 -0.07 0.00 1.55 0.00 0.00 27.41 29.70 2jgj h HIS 405 CO 0.16 0.85 -2.25 0.09 -1.30 0.00 0.00 177.93 175.48 2jgj n ASN 406 N -4.33 0.32 0.04 3.26 3.02 -1.07 -4.56 115.26 111.95 2jgj n ASN 406 Ca 0.10 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2jgj n ASN 406 Cb 0.09 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 2jgj n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jgj n VAL 407 N -2.85 0.67 -0.16 2.41 0.31 -0.57 -4.72 118.33 113.41 2jgj n VAL 407 Ca -0.30 0.22 -0.07 0.00 -0.01 0.00 0.00 64.34 64.18 2jgj n VAL 407 Cb 1.13 -1.23 0.02 0.00 -0.91 0.00 0.00 33.84 32.84 2jgj n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jgj h VAL 408 N 0.00 1.13 0.11 2.52 2.07 -1.34 -0.24 116.25 120.50 2jgj h VAL 408 Ca 0.00 -0.24 -0.26 0.00 0.82 0.00 0.00 66.70 67.01 2jgj h VAL 408 Cb 0.00 0.42 0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2jgj h VAL 408 CO 0.00 0.13 -1.09 0.00 0.02 0.00 0.00 177.57 176.62 2jgj h PRO 410 N 0.12 0.74 -0.44 0.00 0.11 -1.72 -0.68 132.00 130.12 2jgj h PRO 410 Ca -0.17 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 2jgj h PRO 410 Cb 1.80 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.72 2jgj h PRO 410 CO 0.21 0.49 0.14 0.28 -0.21 0.00 0.00 178.00 178.90 2jgj h VAL 411 N 0.76 1.22 -0.09 3.15 2.07 -0.95 -1.38 116.25 121.04 2jgj h VAL 411 Ca 0.55 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2jgj h VAL 411 Cb 0.81 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2jgj h VAL 411 CO -0.37 0.27 0.01 0.00 0.02 0.00 0.00 177.57 177.50 2jgj h ALA 412 N 0.99 0.08 -0.70 1.67 0.00 -1.04 0.52 119.26 120.79 2jgj h ALA 412 Ca 0.14 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2jgj h ALA 412 Cb 0.27 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2jgj h ALA 412 CO -0.00 -0.46 0.24 0.37 0.00 0.00 0.00 179.25 179.40 2jgj h GLN 413 N 0.05 0.37 0.21 0.00 5.75 -1.08 -1.11 115.11 119.29 2jgj h GLN 413 Ca 0.04 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2jgj h GLN 413 Cb 0.04 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.51 2jgj h GLN 413 CO -0.06 0.24 -0.10 1.25 -2.65 0.00 0.00 178.83 177.51 2jgj h LEU 414 N 0.38 -0.24 -0.34 -2.39 5.85 -0.53 -0.71 115.31 117.33 2jgj h LEU 414 Ca 0.37 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.98 2jgj h LEU 414 Cb 0.56 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2jgj h LEU 414 CO -0.40 0.04 0.02 0.00 -0.34 0.00 0.00 178.44 177.76 2jgj h ALA 415 N 0.18 0.32 -0.12 1.25 0.00 -0.72 -0.20 119.26 119.97 2jgj h ALA 415 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jgj h ALA 415 Cb 0.40 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jgj h ALA 415 CO 0.05 -0.39 0.03 0.78 0.00 0.00 0.00 179.25 179.72 2jgj h GLY 416 N 0.12 0.14 1.40 0.00 0.00 -1.22 -0.60 103.07 102.90 2jgj h GLY 416 Ca 0.16 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 2jgj h GLY 416 CO -0.26 0.01 -0.35 3.21 0.00 0.00 0.00 176.54 179.16 2jgj h ARG 417 N 0.08 0.67 -0.20 4.80 2.47 -0.84 -1.90 114.38 119.46 2jgj h ARG 417 Ca 0.05 -0.32 -0.18 0.00 -1.26 0.00 0.00 59.98 58.27 2jgj h ARG 417 Cb 0.04 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2jgj h ARG 417 CO -0.07 0.92 -0.60 -0.07 0.56 0.00 0.00 179.97 180.72 2jgj h LEU 418 N 0.56 0.77 -0.19 3.04 3.38 -0.97 -3.24 115.31 118.67 2jgj h LEU 418 Ca 0.06 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2jgj h LEU 418 Cb 0.86 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2jgj h LEU 418 CO 0.07 1.19 -0.04 0.00 0.09 0.00 0.00 178.44 179.75 2jgj h ALA 419 N 0.82 0.26 0.00 1.53 0.00 -1.04 -2.09 119.26 118.74 2jgj h ALA 419 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jgj h ALA 419 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jgj h ALA 419 CO 0.12 0.02 0.08 0.00 0.00 0.00 0.00 179.25 179.47 2jgj n ALA 420 N -2.35 0.89 -1.87 0.00 0.00 -0.72 -2.36 120.51 114.09 2jgj n ALA 420 Ca -0.05 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.54 2jgj n ALA 420 Cb 0.27 -1.02 0.10 0.00 0.00 0.00 0.00 19.45 18.80 2jgj n ALA 420 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jgj n GLN 421 N -1.84 0.77 0.00 0.00 6.02 -1.05 -5.00 117.38 116.29 2jgj n GLN 421 Ca -0.01 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 2jgj n GLN 421 Cb 0.10 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2jgj n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jgj n GLY 422 N -0.46 2.67 3.77 1.08 0.00 -0.99 -1.99 105.19 109.26 2jgj n GLY 422 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2jgj n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgj s ALA 423 N -2.44 2.99 -0.29 4.61 0.00 -0.03 -4.40 121.76 122.20 2jgj s ALA 423 Ca 0.00 1.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 2jgj s ALA 423 Cb 0.00 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 2jgj s ALA 423 CO 0.00 -0.77 0.77 0.50 0.00 0.00 0.00 175.76 176.25 2jgj s ARG 424 N -2.65 4.00 -0.13 0.00 3.52 0.37 -4.48 118.95 119.57 2jgj s ARG 424 Ca 0.64 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.86 2jgj s ARG 424 Cb -0.32 -3.71 0.01 0.00 -1.56 0.00 0.00 34.95 29.37 2jgj s ARG 424 CO 0.38 -0.63 -0.21 0.08 -0.81 0.00 0.00 175.30 174.11 2jgj s VAL 425 N 2.87 2.00 -0.01 7.11 1.01 -1.26 -0.74 120.40 131.39 2jgj s VAL 425 Ca 0.31 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2jgj s VAL 425 Cb -0.14 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2jgj s VAL 425 CO 0.11 0.54 -0.06 -0.31 0.00 0.00 0.00 175.10 175.38 2jgj s TYR 426 N 0.80 2.90 -0.02 5.22 1.51 -0.20 0.13 117.35 127.69 2jgj s TYR 426 Ca -0.08 -0.02 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 2jgj s TYR 426 Cb -0.16 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.08 2jgj s TYR 426 CO -0.01 0.37 -0.04 0.00 -1.11 0.00 0.00 175.55 174.76 2jgj s ALA 427 N -0.98 0.50 0.15 3.71 0.00 -1.26 -1.04 121.76 122.85 2jgj s ALA 427 Ca 0.17 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.08 2jgj s ALA 427 Cb -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2jgj s ALA 427 CO 0.07 0.04 -0.09 1.52 0.00 0.00 0.00 175.76 177.30 2jgj s TYR 428 N 0.44 1.27 -0.09 0.00 -0.85 -0.61 -1.21 117.35 116.29 2jgj s TYR 428 Ca -0.05 -0.78 0.02 0.00 -0.52 0.00 0.00 57.07 55.74 2jgj s TYR 428 Cb -0.09 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.61 2jgj s TYR 428 CO -0.00 0.06 -0.15 -1.50 -1.52 0.00 0.00 175.55 172.44 2jgj s ILE 429 N -3.35 1.39 -0.21 -3.49 2.07 -0.47 -2.47 121.20 114.67 2jgj s ILE 429 Ca 0.17 -0.60 -0.14 0.00 -1.41 0.00 0.00 60.65 58.67 2jgj s ILE 429 Cb 0.03 -1.26 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 2jgj s ILE 429 CO 0.01 0.41 0.34 0.12 -1.91 0.00 0.00 174.94 173.91 2jgj s PHE 430 N 0.81 3.36 0.00 3.50 2.19 0.13 -0.53 117.98 127.45 2jgj s PHE 430 Ca -0.11 0.52 0.00 0.00 0.33 0.00 0.00 56.93 57.67 2jgj s PHE 430 Cb -0.16 -2.46 0.00 0.00 -1.31 0.00 0.00 43.02 39.10 2jgj s PHE 430 CO 0.02 0.02 0.40 0.39 1.83 0.00 0.00 175.22 177.87 2jgj n GLU 431 N 4.39 -0.11 -3.22 10.12 1.02 0.21 -1.18 120.64 131.86 2jgj n GLU 431 Ca -0.10 -0.46 -0.40 0.00 -0.02 0.00 0.00 57.16 56.19 2jgj n GLU 431 Cb 0.51 -0.80 -0.07 0.00 -0.02 0.00 0.00 31.44 31.07 2jgj n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jgj s HIS 432 N -0.12 3.34 -0.19 -0.32 2.46 -1.22 -4.94 115.29 114.31 2jgj s HIS 432 Ca 0.00 0.76 -0.23 0.00 0.47 0.00 0.00 55.06 56.06 2jgj s HIS 432 Cb 0.00 -2.70 -0.02 0.00 -0.13 0.00 0.00 32.58 29.73 2jgj s HIS 432 CO 0.00 -0.16 0.75 0.50 -2.47 0.00 0.00 174.74 173.35 2jgj s ARG 433 N 1.86 4.25 0.25 2.88 3.52 -1.26 -4.93 118.95 125.52 2jgj s ARG 433 Ca 0.24 0.84 -0.31 0.00 -0.13 0.00 0.00 55.73 56.37 2jgj s ARG 433 Cb -0.15 -3.59 -0.14 0.00 -1.56 0.00 0.00 34.95 29.51 2jgj s ARG 433 CO 0.09 -0.32 1.30 0.00 -0.81 0.00 0.00 175.30 175.57 2jgj n ALA 434 N 5.26 0.64 0.25 6.12 0.00 -1.26 -4.84 120.51 126.68 2jgj n ALA 434 Ca 0.02 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.97 2jgj n ALA 434 Cb 0.49 -2.20 0.64 0.00 0.00 0.00 0.00 19.45 18.38 2jgj n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jgj h SER 435 N 3.55 0.00 -0.01 0.00 4.64 -1.96 -2.66 113.55 117.11 2jgj h SER 435 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jgj h SER 435 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jgj h SER 435 CO 0.71 0.13 0.00 0.35 -0.87 0.00 0.00 176.83 177.15 2jgj n THR 436 N -4.01 0.01 -1.80 2.95 -2.24 -1.26 -4.95 114.28 102.97 2jgj n THR 436 Ca -0.02 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 2jgj n THR 436 Cb 0.22 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.52 2jgj n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jgj s LEU 437 N -1.98 4.32 0.00 3.22 2.96 -1.01 -4.93 118.68 121.27 2jgj s LEU 437 Ca 0.42 3.05 0.15 0.00 -0.22 0.00 0.00 54.13 57.52 2jgj s LEU 437 Cb 0.21 -3.67 0.12 0.00 0.50 0.00 0.00 46.19 43.35 2jgj s LEU 437 CO 0.34 -0.88 0.96 0.35 -1.32 0.00 0.00 176.35 175.81 2jgj n THR 438 N 0.63 0.00 -2.48 3.68 -2.24 -1.26 -4.96 114.28 107.65 2jgj n THR 438 Ca 0.02 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 2jgj n THR 438 Cb 0.39 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.90 2jgj n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jgj s TRP 439 N -1.24 3.47 0.86 4.78 0.52 -1.26 -4.89 118.94 121.19 2jgj s TRP 439 Ca 0.17 1.33 -0.11 0.00 0.02 0.00 0.00 56.10 57.51 2jgj s TRP 439 Cb 0.12 -2.68 0.11 0.00 -1.15 0.00 0.00 33.47 29.87 2jgj s TRP 439 CO 0.19 -0.32 1.14 -1.25 0.02 0.00 0.00 176.95 176.72 2jgj s PRO 440 N -4.11 1.48 0.54 4.98 0.04 -1.26 -4.89 135.00 131.77 2jgj s PRO 440 Ca 0.56 1.46 0.22 0.00 0.04 0.00 0.00 61.00 63.28 2jgj s PRO 440 Cb -0.10 -1.79 1.43 0.00 0.04 0.00 0.00 34.50 34.08 2jgj s PRO 440 CO 0.33 -2.28 2.12 -0.07 0.04 0.00 0.00 177.00 177.15 2jgj h LEU 441 N -1.52 0.00 -1.70 -3.56 3.38 -1.94 -2.85 115.31 107.12 2jgj h LEU 441 Ca -0.44 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 2jgj h LEU 441 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2jgj h LEU 441 CO 0.45 0.00 -0.18 4.11 0.09 0.00 0.00 178.44 182.91 2jgj h TRP 442 N 0.00 0.00 0.00 1.13 5.08 -1.94 -2.00 115.95 118.22 2jgj h TRP 442 Ca 0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.04 2jgj h TRP 442 Cb 0.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.45 2jgj h TRP 442 CO 0.00 0.18 0.00 -1.33 -1.28 0.00 0.00 178.44 176.01 2jgj n MET 443 N -3.92 0.39 0.00 0.12 2.81 -1.08 -4.95 117.12 110.49 2jgj n MET 443 Ca -0.02 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2jgj n MET 443 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2jgj n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jgj n GLY 444 N 0.62 3.96 3.21 3.03 0.00 -0.76 -3.51 105.19 111.75 2jgj n GLY 444 Ca 0.12 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2jgj n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgj s VAL 445 N 0.00 4.41 0.71 1.61 1.01 -1.26 -4.85 120.40 122.03 2jgj s VAL 445 Ca 0.00 -2.18 -0.11 0.00 0.00 0.00 0.00 61.98 59.69 2jgj s VAL 445 Cb 0.00 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2jgj s VAL 445 CO 0.00 -0.85 1.09 -2.84 0.00 0.00 0.00 175.10 172.49 2jgj s PRO 446 N 0.81 2.82 0.17 2.72 0.02 -1.23 -0.87 135.00 139.45 2jgj s PRO 446 Ca 0.11 0.55 -0.33 0.00 0.02 0.00 0.00 61.00 61.34 2jgj s PRO 446 Cb -0.22 -2.01 -0.14 0.00 0.02 0.00 0.00 34.50 32.15 2jgj s PRO 446 CO -0.03 -1.08 1.44 1.58 -0.33 0.00 0.00 177.00 178.59 2jgj n HIS 447 N -3.05 2.01 -0.14 6.54 -0.00 -1.23 -2.06 115.22 117.30 2jgj n HIS 447 Ca 0.07 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 2jgj n HIS 447 Cb 0.56 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.10 2jgj n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jgj n GLY 448 N 2.74 1.42 1.24 1.57 0.00 -1.26 -4.95 105.19 105.95 2jgj n GLY 448 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2jgj n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jgj n TYR 449 N -2.00 1.02 0.07 1.61 4.02 -0.87 -3.19 117.16 117.81 2jgj n TYR 449 Ca 0.00 -0.45 0.11 0.00 -0.01 0.00 0.00 57.90 57.55 2jgj n TYR 449 Cb 0.00 -0.10 -0.05 0.00 -0.02 0.00 0.00 39.34 39.17 2jgj n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jgj n GLU 450 N 1.10 0.62 -0.07 -0.72 0.00 -1.26 -4.57 120.64 115.73 2jgj n GLU 450 Ca 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 57.16 57.34 2jgj n GLU 450 Cb 0.63 -1.75 -0.01 0.00 0.00 0.00 0.00 31.44 30.31 2jgj n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jgj h ILE 451 N 0.00 0.92 -0.43 3.84 2.04 -1.93 -0.72 117.51 121.22 2jgj h ILE 451 Ca -0.01 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.90 2jgj h ILE 451 Cb 1.03 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2jgj h ILE 451 CO 0.00 0.04 0.33 1.05 0.00 0.00 0.00 178.15 179.57 2jgj h GLU 452 N 0.22 0.00 0.03 2.37 4.11 -1.80 -1.61 114.58 117.89 2jgj h GLU 452 Ca 0.12 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.48 2jgj h GLU 452 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2jgj h GLU 452 CO -0.13 0.00 -0.31 0.74 0.07 0.00 0.00 179.01 179.38 2jgj h PHE 453 N 0.00 0.26 -0.98 2.06 0.04 -1.42 -1.68 116.94 115.21 2jgj h PHE 453 Ca 0.21 -0.16 0.20 0.00 2.80 0.00 0.00 57.97 61.02 2jgj h PHE 453 Cb 0.87 -0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.90 2jgj h PHE 453 CO 0.00 1.04 0.62 0.82 -0.60 0.00 0.00 178.31 180.18 2jgj h ILE 454 N -0.59 0.69 -0.00 -0.55 1.08 -1.14 -1.51 117.51 115.49 2jgj h ILE 454 Ca -0.05 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2jgj h ILE 454 Cb 1.14 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2jgj h ILE 454 CO 0.06 0.12 -0.25 0.49 -0.69 0.00 0.00 178.15 177.88 2jgj n PHE 455 N -4.68 0.00 -1.74 1.37 3.01 -0.64 -4.51 117.46 110.28 2jgj n PHE 455 Ca 0.22 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.63 2jgj n PHE 455 Cb 0.63 -0.28 -0.01 0.00 -0.01 0.00 0.00 39.48 39.81 2jgj n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgj n GLY 456 N 1.43 0.39 0.37 1.37 0.00 -0.57 -4.18 105.19 104.00 2jgj n GLY 456 Ca 0.09 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.45 2jgj n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jgj h LEU 457 N 0.00 0.81 -0.43 0.99 3.38 -1.57 -1.73 115.31 116.76 2jgj h LEU 457 Ca -0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jgj h LEU 457 Cb 0.80 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jgj h LEU 457 CO 0.15 0.47 0.11 -2.65 0.09 0.00 0.00 178.44 176.60 2jgj n PRO 458 N -4.54 0.04 0.08 1.13 -0.02 -1.26 -0.29 135.00 130.13 2jgj n PRO 458 Ca 0.16 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 2jgj n PRO 458 Cb 0.33 -1.75 0.45 0.00 -0.02 0.00 0.00 33.50 32.50 2jgj n PRO 458 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jgj n LEU 459 N -1.69 0.45 -4.58 2.45 4.77 -0.65 -4.56 117.00 113.20 2jgj n LEU 459 Ca -0.00 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.13 2jgj n LEU 459 Cb 0.12 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2jgj n LEU 459 CO 0.03 -0.32 0.73 -0.62 -1.33 0.00 0.00 177.39 175.88 2jgj s ASP 460 N -3.85 6.55 0.27 -1.43 -1.08 0.60 -4.80 116.67 112.93 2jgj s ASP 460 Ca 0.08 0.26 0.01 0.00 -0.52 0.00 0.00 52.55 52.37 2jgj s ASP 460 Cb 0.11 -2.45 0.58 0.00 -1.46 0.00 0.00 42.92 39.71 2jgj s ASP 460 CO 0.43 -0.97 1.77 -0.65 0.52 0.00 0.00 175.17 176.27 2jgj h PRO 461 N 8.87 0.66 0.00 4.34 0.11 -1.87 -0.22 132.00 143.89 2jgj h PRO 461 Ca -0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2jgj h PRO 461 Cb 1.08 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2jgj h PRO 461 CO 1.00 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 178.10 2jgj n SER 462 N -4.83 0.00 -0.00 -2.05 3.41 -1.26 -3.02 113.62 105.87 2jgj n SER 462 Ca 0.19 0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 2jgj n SER 462 Cb 0.46 -0.18 0.13 0.00 -0.26 0.00 0.00 64.21 64.36 2jgj n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgj n LEU 463 N -1.18 0.66 -0.50 1.04 4.77 -0.09 -4.99 117.00 116.70 2jgj n LEU 463 Ca 0.04 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.80 2jgj n LEU 463 Cb 0.04 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2jgj n LEU 463 CO 0.05 0.16 -0.06 0.59 -1.33 0.00 0.00 177.39 176.80 2jgj n ASN 464 N -1.49 -3.54 -4.81 -1.43 3.02 -1.17 -5.02 115.26 100.83 2jgj n ASN 464 Ca 0.05 0.13 -0.32 0.00 -0.03 0.00 0.00 54.58 54.40 2jgj n ASN 464 Cb 0.33 -1.77 0.01 0.00 -0.61 0.00 0.00 39.78 37.75 2jgj n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jgj s TYR 465 N -2.24 3.05 0.81 3.10 2.02 -1.26 -4.86 117.35 117.97 2jgj s TYR 465 Ca 0.00 1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 58.09 2jgj s TYR 465 Cb 0.00 -2.97 0.08 0.00 -0.40 0.00 0.00 41.96 38.67 2jgj s TYR 465 CO 0.00 -1.07 1.09 0.95 -1.57 0.00 0.00 175.55 174.95 2jgj s THR 466 N -2.56 3.11 0.24 -0.71 -4.23 -1.26 -4.89 115.64 105.34 2jgj s THR 466 Ca 0.62 0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 61.43 2jgj s THR 466 Cb -0.15 -2.81 0.24 0.00 1.34 0.00 0.00 72.50 71.12 2jgj s THR 466 CO 0.39 -0.47 1.90 0.74 -0.54 0.00 0.00 174.62 176.64 2jgj h THR 467 N -1.27 1.26 -0.83 3.99 2.02 -1.96 -1.67 112.91 114.44 2jgj h THR 467 Ca -0.45 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2jgj h THR 467 Cb 1.24 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2jgj h THR 467 CO 0.51 0.26 0.52 -0.33 0.37 0.00 0.00 175.52 176.86 2jgj h GLU 468 N 1.32 1.12 -0.60 6.66 3.07 -2.00 -1.75 114.58 122.41 2jgj h GLU 468 Ca 0.35 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 59.08 2jgj h GLU 468 Cb -0.09 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 27.55 2jgj h GLU 468 CO -0.07 0.77 0.23 0.93 -1.40 0.00 0.00 179.01 179.47 2jgj h GLU 469 N 1.14 0.88 -0.36 2.33 5.08 -1.75 0.71 114.58 122.62 2jgj h GLU 469 Ca 0.30 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2jgj h GLU 469 Cb -0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2jgj h GLU 469 CO -0.06 0.73 0.10 -0.09 -1.00 0.00 0.00 179.01 178.69 2jgj h ARG 470 N 0.87 0.57 -0.03 2.33 1.12 -0.65 0.26 114.38 118.85 2jgj h ARG 470 Ca 0.20 -0.13 -0.00 0.00 -1.11 0.00 0.00 59.98 58.94 2jgj h ARG 470 Cb 0.19 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.07 2jgj h ARG 470 CO -0.02 0.60 0.01 0.82 -3.11 0.00 0.00 179.97 178.27 2jgj h ILE 471 N 0.43 1.18 -0.78 1.20 2.04 -1.13 -2.11 117.51 118.34 2jgj h ILE 471 Ca 0.11 -0.55 0.15 0.00 1.00 0.00 0.00 64.86 65.57 2jgj h ILE 471 Cb 0.28 1.50 -0.10 0.00 -0.74 0.00 0.00 36.82 37.76 2jgj h ILE 471 CO -0.00 0.15 0.33 0.15 0.00 0.00 0.00 178.15 178.78 2jgj h PHE 472 N -0.17 0.57 -0.49 1.37 3.57 -0.82 -1.21 116.94 119.76 2jgj h PHE 472 Ca 0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2jgj h PHE 472 Cb 0.23 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2jgj h PHE 472 CO 0.00 0.08 0.26 0.00 -2.23 0.00 0.00 178.31 176.42 2jgj h ALA 473 N 1.56 0.63 -0.94 2.41 0.00 -0.69 -2.00 119.26 120.22 2jgj h ALA 473 Ca 0.43 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2jgj h ALA 473 Cb 0.66 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2jgj h ALA 473 CO -0.40 0.17 0.62 1.96 0.00 0.00 0.00 179.25 181.60 2jgj h GLN 474 N 0.65 1.22 -0.37 0.00 4.20 -0.86 -0.13 115.11 119.82 2jgj h GLN 474 Ca 0.17 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2jgj h GLN 474 Cb 0.08 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2jgj h GLN 474 CO -0.03 0.81 0.24 -0.09 -0.67 0.00 0.00 178.83 179.09 2jgj h ARG 475 N 1.25 0.47 -0.51 1.46 2.43 -0.76 -1.18 114.38 117.54 2jgj h ARG 475 Ca 0.35 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 2jgj h ARG 475 Cb -0.11 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 2jgj h ARG 475 CO -0.09 0.31 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.48 2jgj h LEU 476 N 0.48 1.00 -0.78 3.80 3.38 -0.75 -1.23 115.31 121.22 2jgj h LEU 476 Ca 0.14 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.79 2jgj h LEU 476 Cb -0.04 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 2jgj h LEU 476 CO -0.04 1.13 0.48 0.24 0.09 0.00 0.00 178.44 180.34 2jgj h MET 477 N 0.85 0.88 0.22 1.13 2.86 -0.98 -1.38 114.93 118.50 2jgj h MET 477 Ca 0.13 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2jgj h MET 477 Cb 0.70 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 2jgj h MET 477 CO 0.05 0.58 -0.29 0.87 1.06 0.00 0.00 176.91 179.19 2jgj h LYS 478 N 0.90 -0.54 -0.11 1.72 1.79 -0.72 -1.59 116.57 118.02 2jgj h LYS 478 Ca 0.33 0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.87 2jgj h LYS 478 Cb 0.10 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 2jgj h LYS 478 CO -0.14 -0.36 -0.15 1.88 -1.08 0.00 0.00 179.45 179.60 2jgj h TYR 479 N -0.56 -0.38 0.08 -1.35 0.05 -0.89 0.25 116.97 114.17 2jgj h TYR 479 Ca 0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2jgj h TYR 479 Cb 0.54 0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 2jgj h TYR 479 CO -0.21 -0.22 -0.09 -1.49 -1.05 0.00 0.00 178.16 175.10 2jgj h TRP 480 N -0.19 -0.23 -0.02 4.88 6.55 -1.21 -0.01 115.95 125.73 2jgj h TRP 480 Ca 0.09 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.81 2jgj h TRP 480 Cb 0.32 0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.69 2jgj h TRP 480 CO -0.26 -0.14 -0.53 1.79 -1.05 0.00 0.00 178.44 178.26 2jgj h THR 481 N -0.20 1.38 0.08 1.49 1.35 -1.18 -0.43 112.91 115.40 2jgj h THR 481 Ca 0.01 -1.81 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 2jgj h THR 481 Cb 0.19 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2jgj h THR 481 CO -0.03 0.52 -0.04 0.78 -0.25 0.00 0.00 175.52 176.50 2jgj h ASN 482 N 0.03 -0.09 -0.89 5.36 2.35 -0.12 -0.15 115.58 122.08 2jgj h ASN 482 Ca -0.00 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2jgj h ASN 482 Cb 0.94 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.28 2jgj h ASN 482 CO 0.07 -0.01 0.58 0.15 -1.65 0.00 0.00 177.43 176.58 2jgj h PHE 483 N -0.16 1.06 -0.28 1.19 3.57 -0.71 0.12 116.94 121.72 2jgj h PHE 483 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2jgj h PHE 483 Cb 0.13 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2jgj h PHE 483 CO -0.05 0.60 0.08 0.00 -2.23 0.00 0.00 178.31 176.71 2jgj h ALA 484 N 1.49 0.36 -0.40 2.41 0.00 -0.92 0.12 119.26 122.33 2jgj h ALA 484 Ca 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jgj h ALA 484 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jgj h ALA 484 CO -0.12 -0.01 0.24 0.00 0.00 0.00 0.00 179.25 179.37 2jgj h ARG 485 N 0.28 0.54 0.00 0.00 3.08 0.09 -3.40 114.38 114.98 2jgj h ARG 485 Ca 0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2jgj h ARG 485 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2jgj h ARG 485 CO -0.00 0.40 -0.58 0.25 -1.07 0.00 0.00 179.97 178.96 2jgj n THR 486 N -4.77 0.00 -0.39 2.04 -2.24 0.30 -5.00 114.28 104.21 2jgj n THR 486 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2jgj n THR 486 Cb 0.05 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2jgj n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jgj n GLY 487 N 1.53 0.80 2.73 3.38 0.00 0.42 -5.03 105.19 109.02 2jgj n GLY 487 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 2jgj n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jgj s ASP 488 N -2.03 1.09 0.52 1.61 -1.08 -1.26 -4.91 116.67 110.61 2jgj s ASP 488 Ca 0.00 0.12 0.30 0.00 -0.52 0.00 0.00 52.55 52.45 2jgj s ASP 488 Cb 0.00 0.03 1.29 0.00 -1.46 0.00 0.00 42.92 42.79 2jgj s ASP 488 CO 0.00 -0.26 1.97 1.55 0.52 0.00 0.00 175.17 178.95 2jgj h PRO 489 N 8.40 0.00 -7.13 4.34 0.13 -1.84 -3.04 132.00 132.87 2jgj h PRO 489 Ca -0.13 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.49 2jgj h PRO 489 Cb 1.12 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.34 2jgj h PRO 489 CO 0.16 0.09 0.41 -0.80 -0.23 0.00 0.00 178.00 177.63 2jgj s ASN 490 N -5.88 5.37 -0.22 1.44 0.01 -1.26 -4.35 114.94 110.05 2jgj s ASN 490 Ca 0.00 2.14 -0.25 0.00 -0.71 0.00 0.00 52.86 54.04 2jgj s ASN 490 Cb 0.10 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 2jgj s ASN 490 CO 0.57 -1.46 0.85 -0.62 -1.51 0.00 0.00 177.10 174.94 2jgj s ASP 491 N -2.06 6.90 0.19 -1.22 3.68 -1.26 -4.93 116.67 117.97 2jgj s ASP 491 Ca 0.71 1.12 -0.13 0.00 2.13 0.00 0.00 52.55 56.38 2jgj s ASP 491 Cb -0.24 -2.45 0.22 0.00 -1.45 0.00 0.00 42.92 39.00 2jgj s ASP 491 CO 0.34 -0.50 1.69 -0.65 0.13 0.00 0.00 175.17 176.18 2jgj h PRO 492 N 7.55 0.16 0.00 4.34 0.11 -1.95 -3.30 132.00 138.91 2jgj h PRO 492 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2jgj h PRO 492 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jgj h PRO 492 CO 0.88 0.11 0.00 0.54 -0.21 0.00 0.00 178.00 179.31 2jgj n ARG 493 N -5.19 0.00 -1.00 1.05 1.74 -1.26 -4.73 116.66 107.27 2jgj n ARG 493 Ca 0.06 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.95 2jgj n ARG 493 Cb 0.28 -0.57 -0.13 0.00 -1.02 0.00 0.00 32.46 31.02 2jgj n ARG 493 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jgj n ASP 494 N -0.15 -0.56 -0.26 0.55 -0.08 -1.24 -4.75 116.55 110.05 2jgj n ASP 494 Ca 0.00 -0.19 0.10 0.00 -1.51 0.00 0.00 54.79 53.19 2jgj n ASP 494 Cb 0.00 -0.45 -0.05 0.00 2.34 0.00 0.00 41.12 42.96 2jgj n ASP 494 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jgj n SER 495 N 4.89 1.48 0.28 1.67 2.88 -1.26 -4.40 113.62 119.16 2jgj n SER 495 Ca 0.45 -1.24 -0.16 0.00 -1.33 0.00 0.00 58.87 56.59 2jgj n SER 495 Cb 0.07 0.71 -0.08 0.00 -0.75 0.00 0.00 64.21 64.15 2jgj n SER 495 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jgj h LYS 496 N 1.27 -0.67 -6.87 -1.46 1.57 -1.97 -3.44 116.57 105.00 2jgj h LYS 496 Ca 0.00 0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 58.29 2jgj h LYS 496 Cb 0.59 0.15 0.09 0.00 0.08 0.00 0.00 32.23 33.15 2jgj h LYS 496 CO 0.00 -0.39 0.83 -1.12 -0.57 0.00 0.00 179.45 178.20 2jgj s SER 497 N -4.67 6.36 0.69 0.86 0.01 -1.26 -4.96 113.70 110.73 2jgj s SER 497 Ca -0.16 3.00 -0.17 0.00 1.31 0.00 0.00 55.95 59.93 2jgj s SER 497 Cb 0.03 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2jgj s SER 497 CO 0.58 -0.89 1.17 -0.81 0.41 0.00 0.00 173.24 173.70 2jgj n PRO 498 N 1.32 0.80 -3.24 12.44 -0.04 -1.26 -4.98 135.00 140.04 2jgj n PRO 498 Ca 0.05 0.33 -0.34 0.00 -0.04 0.00 0.00 63.50 63.50 2jgj n PRO 498 Cb 0.38 -2.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 2jgj n PRO 498 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2jgj s GLN 499 N -3.41 4.02 -0.55 0.54 -1.52 -1.26 -4.89 119.66 112.60 2jgj s GLN 499 Ca 0.79 0.60 -0.18 0.00 -1.95 0.00 0.00 55.36 54.62 2jgj s GLN 499 Cb -0.36 -2.71 0.09 0.00 -0.22 0.00 0.00 33.01 29.81 2jgj s GLN 499 CO 0.45 0.33 0.60 -0.46 -0.25 0.00 0.00 175.29 175.96 2jgj s TRP 500 N -1.70 3.09 0.47 0.91 -0.11 -1.26 -4.93 118.94 115.41 2jgj s TRP 500 Ca 0.46 -0.92 -0.20 0.00 1.22 0.00 0.00 56.10 56.65 2jgj s TRP 500 Cb -0.13 -3.75 -0.09 0.00 -1.50 0.00 0.00 33.47 28.00 2jgj s TRP 500 CO 0.19 -1.11 1.01 -1.25 -4.62 0.00 0.00 176.95 171.17 2jgj s PRO 501 N 2.32 3.95 0.73 5.86 0.04 -1.26 -4.89 135.00 141.76 2jgj s PRO 501 Ca 0.10 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 2jgj s PRO 501 Cb -0.24 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2jgj s PRO 501 CO 0.07 -0.29 0.78 -2.30 0.04 0.00 0.00 177.00 175.30 2jgj n PRO 502 N -0.86 0.39 -2.85 0.56 -0.02 -1.26 -4.69 135.00 126.28 2jgj n PRO 502 Ca 0.08 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 2jgj n PRO 502 Cb 0.53 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 2jgj n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgj s TYR 503 N -1.88 3.51 0.19 6.00 6.14 0.35 -4.46 117.35 127.20 2jgj s TYR 503 Ca 0.70 1.40 0.09 0.00 0.64 0.00 0.00 57.07 59.90 2jgj s TYR 503 Cb -0.34 -3.03 -0.04 0.00 0.42 0.00 0.00 41.96 38.97 2jgj s TYR 503 CO 0.54 -0.13 -0.19 0.95 0.64 0.00 0.00 175.55 177.35 2jgj s THR 504 N 1.65 1.99 0.23 4.34 -4.23 -1.26 -4.54 115.64 113.83 2jgj s THR 504 Ca 0.43 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.87 2jgj s THR 504 Cb -0.18 -1.96 0.13 0.00 1.34 0.00 0.00 72.50 71.83 2jgj s THR 504 CO 0.17 -0.30 1.76 0.71 -0.54 0.00 0.00 174.62 176.42 2jgj h THR 505 N 3.09 1.25 -0.23 3.99 1.35 -1.92 0.60 112.91 121.05 2jgj h THR 505 Ca -0.43 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.49 2jgj h THR 505 Cb 1.21 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 2jgj h THR 505 CO 0.52 0.35 0.09 0.00 -0.25 0.00 0.00 175.52 176.23 2jgj h ALA 506 N 1.19 0.30 0.00 6.62 0.00 -2.01 -3.37 119.26 121.99 2jgj h ALA 506 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jgj h ALA 506 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jgj h ALA 506 CO 0.00 -0.10 -1.58 0.00 0.00 0.00 0.00 179.25 177.57 2jgj n ALA 507 N -2.25 2.29 -3.71 0.00 0.00 -1.21 -5.04 120.51 110.59 2jgj n ALA 507 Ca -0.03 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 2jgj n ALA 507 Cb 0.13 -0.31 0.04 0.00 0.00 0.00 0.00 19.45 19.31 2jgj n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jgj n GLN 508 N -2.01 -5.55 -3.16 0.00 6.02 0.21 -4.38 117.38 108.51 2jgj n GLN 508 Ca -0.05 0.66 -0.38 0.00 -0.01 0.00 0.00 57.00 57.21 2jgj n GLN 508 Cb 0.42 -5.40 -0.06 0.00 1.02 0.00 0.00 30.24 26.22 2jgj n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jgj s GLN 509 N -6.09 4.32 0.15 -1.09 -0.21 -1.26 0.06 119.66 115.53 2jgj s GLN 509 Ca 0.22 0.88 -0.14 0.00 0.02 0.00 0.00 55.36 56.35 2jgj s GLN 509 Cb -0.11 -3.18 0.02 0.00 1.00 0.00 0.00 33.01 30.74 2jgj s GLN 509 CO 0.80 0.57 0.37 1.52 -2.12 0.00 0.00 175.29 176.44 2jgj s TYR 510 N -1.20 0.01 0.10 0.91 1.13 -0.61 -3.92 117.35 113.76 2jgj s TYR 510 Ca 0.34 -0.36 0.07 0.00 -1.41 0.00 0.00 57.07 55.71 2jgj s TYR 510 Cb -0.20 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.79 2jgj s TYR 510 CO 0.22 -0.74 -0.12 0.14 -2.51 0.00 0.00 175.55 172.54 2jgj s VAL 511 N -3.87 3.23 0.04 -3.49 -7.23 -0.35 -0.65 120.40 108.08 2jgj s VAL 511 Ca 0.08 -1.30 -0.24 0.00 -1.81 0.00 0.00 61.98 58.72 2jgj s VAL 511 Cb 0.02 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 2jgj s VAL 511 CO -0.07 0.13 0.72 -0.94 -0.31 0.00 0.00 175.10 174.64 2jgj s SER 512 N -2.12 7.16 -0.39 4.85 1.04 -0.50 -1.37 113.70 122.37 2jgj s SER 512 Ca 0.20 1.39 -0.08 0.00 0.48 0.00 0.00 55.95 57.94 2jgj s SER 512 Cb -0.11 -2.44 0.07 0.00 0.10 0.00 0.00 66.02 63.64 2jgj s SER 512 CO 0.12 0.05 0.21 -0.76 0.98 0.00 0.00 173.24 173.84 2jgj s LEU 513 N -0.15 4.91 0.00 2.42 1.43 0.31 -4.11 118.68 123.48 2jgj s LEU 513 Ca 0.36 -1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2jgj s LEU 513 Cb -0.20 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2jgj s LEU 513 CO 0.22 -0.47 0.04 -0.46 0.23 0.00 0.00 176.35 175.91 2jgj n ASN 514 N 4.85 -0.12 0.30 2.29 0.23 -1.26 -0.62 115.26 120.93 2jgj n ASN 514 Ca -0.10 -1.14 0.18 0.00 -0.53 0.00 0.00 54.58 52.98 2jgj n ASN 514 Cb 0.43 0.22 0.95 0.00 -2.08 0.00 0.00 39.78 39.30 2jgj n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jgj h LEU 515 N 0.00 0.00-10.14 -4.53 3.38 -1.95 -3.43 115.31 98.63 2jgj h LEU 515 Ca -0.02 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.47 2jgj h LEU 515 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2jgj h LEU 515 CO 0.03 0.03 0.27 -0.54 0.09 0.00 0.00 178.44 178.32 2jgj s LYS 516 N -4.23 3.95 0.51 1.13 1.02 -1.26 -5.00 119.74 115.86 2jgj s LYS 516 Ca -0.04 0.82 -0.22 0.00 0.02 0.00 0.00 55.97 56.56 2jgj s LYS 516 Cb 0.13 -2.24 -0.08 0.00 -0.52 0.00 0.00 37.83 35.12 2jgj s LYS 516 CO 0.51 -0.13 0.99 -2.30 -0.92 0.00 0.00 175.35 173.50 2jgj n PRO 517 N -1.23 1.17 -1.40 -1.68 -0.02 -1.26 -4.81 135.00 125.77 2jgj n PRO 517 Ca 0.05 0.43 -0.55 0.00 -2.02 0.00 0.00 63.50 61.42 2jgj n PRO 517 Cb 0.54 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 2jgj n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jgj n LEU 518 N -0.05 0.53 -4.30 2.45 4.77 -1.26 -4.97 117.00 114.17 2jgj n LEU 518 Ca 0.11 1.01 -0.32 0.00 -0.03 0.00 0.00 56.01 56.78 2jgj n LEU 518 Cb 0.43 -0.77 -0.16 0.00 -2.33 0.00 0.00 43.42 40.59 2jgj n LEU 518 CO 0.53 -1.17 -0.53 -0.70 -1.33 0.00 0.00 177.39 174.20 2jgj s GLU 519 N 1.32 2.88 -0.19 3.23 2.12 -1.26 -4.83 118.70 121.98 2jgj s GLU 519 Ca 0.84 -0.83 -0.17 0.00 0.36 0.00 0.00 54.97 55.17 2jgj s GLU 519 Cb -1.19 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2jgj s GLU 519 CO 0.60 0.31 0.46 0.08 -0.54 0.00 0.00 175.26 176.17 2jgj s VAL 520 N 0.04 5.16 0.30 3.70 1.01 -1.26 -1.41 120.40 127.94 2jgj s VAL 520 Ca -0.08 0.84 0.10 0.00 0.00 0.00 0.00 61.98 62.84 2jgj s VAL 520 Cb -0.15 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2jgj s VAL 520 CO 0.05 0.23 -0.02 -0.13 0.00 0.00 0.00 175.10 175.23 2jgj s ARG 521 N 1.38 2.11 -0.06 2.72 0.52 0.18 -4.97 118.95 120.83 2jgj s ARG 521 Ca 0.22 -1.61 0.06 0.00 -0.52 0.00 0.00 55.73 53.88 2jgj s ARG 521 Cb -0.15 -2.01 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 2jgj s ARG 521 CO 0.09 0.25 -0.25 1.03 0.02 0.00 0.00 175.30 176.44 2jgj s ARG 522 N -3.68 2.54 0.00 3.54 0.52 -1.26 -1.57 118.95 119.03 2jgj s ARG 522 Ca 0.33 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2jgj s ARG 522 Cb -0.03 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.28 2jgj s ARG 522 CO 0.19 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.31 2jgj n GLY 523 N 2.93 -2.57 3.51 -3.53 0.00 0.11 -4.91 105.19 100.74 2jgj n GLY 523 Ca -0.17 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2jgj n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jgj s LEU 524 N 0.00 4.07 -1.44 0.99 2.96 -1.26 -4.13 118.68 119.86 2jgj s LEU 524 Ca 0.00 -1.44 -0.02 0.00 -0.22 0.00 0.00 54.13 52.45 2jgj s LEU 524 Cb 0.00 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.20 2jgj s LEU 524 CO 0.00 -1.40 0.28 0.54 -1.32 0.00 0.00 176.35 174.44 2jgj n ARG 525 N 8.05 -2.20 -0.13 1.98 5.12 -1.26 -4.77 116.66 123.45 2jgj n ARG 525 Ca 0.21 0.27 -0.05 0.00 -1.93 0.00 0.00 57.85 56.35 2jgj n ARG 525 Cb 0.49 -4.07 0.03 0.00 -1.16 0.00 0.00 32.46 27.76 2jgj n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jgj h ALA 526 N 0.85 0.48 0.36 7.54 0.00 -1.93 0.46 119.26 127.02 2jgj h ALA 526 Ca -0.65 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2jgj h ALA 526 Cb 1.39 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2jgj h ALA 526 CO 0.65 -0.27 -0.17 1.96 0.00 0.00 0.00 179.25 181.42 2jgj h GLN 527 N 0.28 -0.47 -0.72 0.00 1.08 -1.96 -2.64 115.11 110.69 2jgj h GLN 527 Ca 0.20 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.47 2jgj h GLN 527 Cb 0.20 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 2jgj h GLN 527 CO -0.22 -0.17 0.44 1.15 -0.95 0.00 0.00 178.83 179.08 2jgj h THR 528 N -0.77 1.06 0.00 -0.54 2.02 -1.92 -2.40 112.91 110.36 2jgj h THR 528 Ca -0.05 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2jgj h THR 528 Cb 0.51 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2jgj h THR 528 CO 0.08 0.15 -0.24 0.00 0.37 0.00 0.00 175.52 175.89 2jgj h ALA 530 N 1.76 1.55 0.40 0.00 0.00 -1.05 0.84 119.26 122.77 2jgj h ALA 530 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2jgj h ALA 530 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jgj h ALA 530 CO 0.03 0.39 -0.19 0.35 0.00 0.00 0.00 179.25 179.83 2jgj h PHE 531 N 0.75 -0.49 -0.36 0.00 3.57 -1.00 -0.80 116.94 118.61 2jgj h PHE 531 Ca 0.20 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 2jgj h PHE 531 Cb -0.03 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2jgj h PHE 531 CO 0.00 -0.28 -0.34 -1.49 -2.23 0.00 0.00 178.31 173.97 2jgj h TRP 532 N -0.57 0.95 0.00 0.41 4.06 -1.31 0.16 115.95 119.65 2jgj h TRP 532 Ca -0.05 -0.26 -0.22 0.00 2.06 0.00 0.00 58.89 60.41 2jgj h TRP 532 Cb 0.43 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.34 2jgj h TRP 532 CO -0.04 1.03 -1.95 0.09 -3.56 0.00 0.00 178.44 174.01 2jgj n ASN 533 N -4.07 0.33 -0.06 -3.49 5.03 0.27 -4.14 115.26 109.15 2jgj n ASN 533 Ca -0.01 0.15 -0.10 0.00 0.87 0.00 0.00 54.58 55.49 2jgj n ASN 533 Cb 0.51 0.88 -0.05 0.00 -1.02 0.00 0.00 39.78 40.09 2jgj n ASN 533 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2jgj n ARG 534 N -2.71 0.27 -0.06 3.52 1.74 -0.43 -4.77 116.66 114.23 2jgj n ARG 534 Ca -0.18 0.08 -0.06 0.00 -0.77 0.00 0.00 57.85 56.92 2jgj n ARG 534 Cb 0.92 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 31.19 2jgj n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jgj h PHE 535 N -0.14 0.00 -0.74 -1.55 3.57 -0.86 -3.38 116.94 113.84 2jgj h PHE 535 Ca -0.27 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.38 2jgj h PHE 535 Cb 1.35 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.99 2jgj h PHE 535 CO -0.00 0.35 0.22 1.25 -2.23 0.00 0.00 178.31 177.90 2jgj h LEU 536 N -1.00 0.11 -0.76 0.59 5.85 -0.85 -1.59 115.31 117.67 2jgj h LEU 536 Ca -0.02 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2jgj h LEU 536 Cb 0.40 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2jgj h LEU 536 CO -0.01 0.01 0.47 -0.65 -0.34 0.00 0.00 178.44 177.92 2jgj h PRO 537 N 0.33 0.88 -0.52 5.25 0.11 -1.77 -1.23 132.00 135.04 2jgj h PRO 537 Ca 0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2jgj h PRO 537 Cb 0.68 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 2jgj h PRO 537 CO -0.47 0.58 0.33 0.87 -0.21 0.00 0.00 178.00 179.10 2jgj h LYS 538 N 0.90 0.70 -0.63 1.05 1.57 -1.49 -2.26 116.57 116.42 2jgj h LYS 538 Ca 0.31 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2jgj h LYS 538 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2jgj h LYS 538 CO -0.13 0.49 0.42 1.25 -0.57 0.00 0.00 179.45 180.90 2jgj h LEU 539 N 0.71 0.69 -0.01 2.94 5.85 -0.91 -1.34 115.31 123.24 2jgj h LEU 539 Ca 0.19 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2jgj h LEU 539 Cb -0.05 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.82 2jgj h LEU 539 CO -0.04 0.49 0.00 0.18 -0.34 0.00 0.00 178.44 178.73 2jgj n LEU 540 N -4.45 0.10 -2.57 2.25 4.77 -0.52 -3.36 117.00 113.22 2jgj n LEU 540 Ca 0.07 0.51 -0.31 0.00 -0.03 0.00 0.00 56.01 56.25 2jgj n LEU 540 Cb 0.08 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 2jgj n LEU 540 CO 0.35 -0.04 1.54 -1.20 -1.33 0.00 0.00 177.39 176.71 2jgj n SER 541 N -1.60 6.89 0.00 -1.43 7.64 -0.51 -5.10 113.62 119.52 2jgj n SER 541 Ca 0.07 -3.43 0.00 0.00 1.01 0.00 0.00 58.87 56.51 2jgj n SER 541 Cb 0.34 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 2jgj n SER 541 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03