#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgj s ASP 5 N 0.00 5.92 0.00 4.31 3.68 -1.26 -4.88 116.67 124.44 2jgj s ASP 5 Ca 0.00 1.34 0.14 0.00 2.13 0.00 0.00 52.55 56.16 2jgj s ASP 5 Cb 0.00 -2.53 0.65 0.00 -1.45 0.00 0.00 42.92 39.59 2jgj s ASP 5 CO 0.00 -1.68 1.42 -0.81 0.13 0.00 0.00 175.17 174.23 2jgj n PRO 6 N 8.39 0.09 0.14 4.34 -0.04 -1.26 -0.49 135.00 146.17 2jgj n PRO 6 Ca 0.23 0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.89 2jgj n PRO 6 Cb 0.47 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.66 2jgj n PRO 6 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jgj h GLN 7 N 0.00 0.07 -0.65 0.54 1.08 -2.03 -3.24 115.11 110.89 2jgj h GLN 7 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2jgj h GLN 7 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2jgj h GLN 7 CO 0.00 0.56 0.00 1.28 -0.95 0.00 0.00 178.83 179.72 2jgj n LEU 8 N -3.95 4.16 -4.10 1.46 4.77 0.36 -4.83 117.00 114.87 2jgj n LEU 8 Ca -0.02 -2.10 -0.33 0.00 -0.03 0.00 0.00 56.01 53.53 2jgj n LEU 8 Cb 0.52 -0.56 -0.16 0.00 -2.33 0.00 0.00 43.42 40.89 2jgj n LEU 8 CO 0.41 0.61 -0.52 -0.22 -1.33 0.00 0.00 177.39 176.35 2jgj s LEU 9 N -1.77 2.29 0.00 2.23 2.96 -1.22 -0.75 118.68 122.42 2jgj s LEU 9 Ca 0.41 -0.75 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2jgj s LEU 9 Cb 0.28 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.49 2jgj s LEU 9 CO 0.17 -0.03 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.31 2jgj s VAL 10 N 1.28 1.28 -0.43 1.68 1.01 -0.73 -4.99 120.40 119.50 2jgj s VAL 10 Ca 0.03 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2jgj s VAL 10 Cb -0.14 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.21 2jgj s VAL 10 CO -0.12 0.29 0.31 -0.60 0.00 0.00 0.00 175.10 174.98 2jgj s ARG 11 N -0.56 2.83 0.63 2.72 3.52 -1.26 -0.68 118.95 126.15 2jgj s ARG 11 Ca 0.06 -1.29 0.03 0.00 -0.13 0.00 0.00 55.73 54.40 2jgj s ARG 11 Cb -0.07 -3.93 0.09 0.00 -1.56 0.00 0.00 34.95 29.48 2jgj s ARG 11 CO -0.00 -0.91 0.87 0.14 -0.81 0.00 0.00 175.30 174.59 2jgj s VAL 12 N 1.56 2.33 0.50 7.11 -7.23 -0.67 -4.90 120.40 119.11 2jgj s VAL 12 Ca 0.03 -0.73 0.17 0.00 -1.81 0.00 0.00 61.98 59.65 2jgj s VAL 12 Cb -0.22 -2.60 0.31 0.00 0.56 0.00 0.00 36.38 34.42 2jgj s VAL 12 CO 0.06 0.00 2.08 0.03 -0.31 0.00 0.00 175.10 176.96 2jgj h ARG 13 N -0.14 0.10 -0.01 4.82 3.08 -1.95 -2.18 114.38 118.10 2jgj h ARG 13 Ca -0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2jgj h ARG 13 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2jgj h ARG 13 CO 0.44 0.07 -0.22 0.41 -1.07 0.00 0.00 179.97 179.59 2jgj n GLY 14 N -1.56 -0.64 0.00 0.04 0.00 -1.26 -4.96 105.19 96.81 2jgj n GLY 14 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.32 0.84 3.87 -0.02 0.00 -0.82 -1.09 105.19 109.30 2jgj n GLY 15 Ca 0.13 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.46 3.66 0.07 1.61 -0.21 -1.24 -1.66 119.66 120.43 2jgj s GLN 16 Ca 0.00 0.05 0.07 0.00 0.02 0.00 0.00 55.36 55.50 2jgj s GLN 16 Cb 0.00 -3.08 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 2jgj s GLN 16 CO 0.00 0.64 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.11 2jgj s LEU 17 N -1.68 2.24 -0.21 2.90 1.43 0.14 -0.66 118.68 122.84 2jgj s LEU 17 Ca 0.28 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2jgj s LEU 17 Cb -0.14 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.34 2jgj s LEU 17 CO 0.16 0.05 -0.11 -0.60 0.23 0.00 0.00 176.35 176.07 2jgj s ARG 18 N -1.58 2.16 0.03 1.70 3.52 -0.74 -1.77 118.95 122.27 2jgj s ARG 18 Ca 0.04 -0.97 -0.00 0.00 -0.13 0.00 0.00 55.73 54.67 2jgj s ARG 18 Cb -0.09 -2.56 0.01 0.00 -1.56 0.00 0.00 34.95 30.75 2jgj s ARG 18 CO 0.03 -0.45 0.04 0.41 -0.81 0.00 0.00 175.30 174.52 2jgj n GLY 19 N 4.62 -0.33 3.02 8.12 0.00 0.07 -1.09 105.19 119.60 2jgj n GLY 19 Ca -0.15 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.57 0.53 -0.20 -0.61 2.07 -0.09 -4.78 121.20 117.55 2jgj s ILE 20 Ca 0.02 -0.63 -0.20 0.00 -1.41 0.00 0.00 60.65 58.43 2jgj s ILE 20 Cb -0.00 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 2jgj s ILE 20 CO 0.02 -0.09 0.61 -0.60 -1.91 0.00 0.00 174.94 172.96 2jgj s ARG 21 N -0.79 4.20 0.25 3.50 3.52 -1.26 -1.18 118.95 127.18 2jgj s ARG 21 Ca -0.03 0.57 0.08 0.00 -0.13 0.00 0.00 55.73 56.22 2jgj s ARG 21 Cb -0.06 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2jgj s ARG 21 CO 0.00 -0.23 0.12 -0.51 -0.81 0.00 0.00 175.30 173.87 2jgj s LEU 22 N 1.90 3.60 -0.27 -0.88 1.43 0.29 -4.95 118.68 119.80 2jgj s LEU 22 Ca 0.28 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 2jgj s LEU 22 Cb -0.16 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 2jgj s LEU 22 CO 0.10 -0.01 0.26 -0.75 0.23 0.00 0.00 176.35 176.18 2jgj s LYS 23 N -3.70 3.99 0.12 1.70 2.47 -1.26 -1.95 119.74 121.12 2jgj s LYS 23 Ca 0.32 -0.16 0.08 0.00 -1.56 0.00 0.00 55.97 54.65 2jgj s LYS 23 Cb -0.08 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.61 2jgj s LYS 23 CO 0.23 -0.19 -0.12 0.00 0.16 0.00 0.00 175.35 175.43 2jgj s ALA 24 N 1.80 2.87 0.58 3.13 0.00 -0.10 -4.98 121.76 125.06 2jgj s ALA 24 Ca 0.11 -1.30 0.28 0.00 0.00 0.00 0.00 51.96 51.05 2jgj s ALA 24 Cb -0.16 -0.81 1.65 0.00 0.00 0.00 0.00 23.12 23.81 2jgj s ALA 24 CO 0.10 0.61 2.12 -1.35 0.00 0.00 0.00 175.76 177.24 2jgj h PRO 25 N 3.58 0.00 -0.24 0.00 0.11 -1.96 0.66 132.00 134.15 2jgj h PRO 25 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jgj h PRO 25 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jgj h PRO 25 CO 0.50 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 2jgj n GLY 26 N -1.41 1.36 0.00 -0.55 0.00 -1.26 -5.06 105.19 98.27 2jgj n GLY 26 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.33 -0.85 3.91 -0.02 0.00 0.22 -5.08 105.19 104.70 2jgj n GLY 27 Ca 0.16 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.91 3.60 0.05 1.61 0.04 -1.26 -0.92 135.00 136.20 2jgj s PRO 28 Ca 0.00 0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.09 2jgj s PRO 28 Cb 0.00 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 2jgj s PRO 28 CO 0.00 0.07 -0.08 0.14 0.04 0.00 0.00 177.00 177.17 2jgj s VAL 29 N -2.32 0.61 -0.21 -0.36 -7.23 -0.82 -3.38 120.40 106.69 2jgj s VAL 29 Ca 0.45 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 59.19 2jgj s VAL 29 Cb -0.10 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 2jgj s VAL 29 CO 0.35 -0.46 0.45 -0.44 -0.31 0.00 0.00 175.10 174.69 2jgj s SER 30 N -1.86 6.47 -0.13 4.85 0.01 -0.79 -0.55 113.70 121.70 2jgj s SER 30 Ca -0.05 0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.78 2jgj s SER 30 Cb -0.07 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 2jgj s SER 30 CO -0.00 -0.15 -0.18 0.00 0.41 0.00 0.00 173.24 173.32 2jgj s ALA 31 N 1.60 2.42 -0.41 1.44 0.00 -0.33 -0.88 121.76 125.60 2jgj s ALA 31 Ca 0.21 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2jgj s ALA 31 Cb -0.15 -1.07 0.11 0.00 0.00 0.00 0.00 23.12 22.01 2jgj s ALA 31 CO 0.09 0.18 0.18 -0.06 0.00 0.00 0.00 175.76 176.15 2jgj s PHE 32 N 0.49 3.61 0.04 0.00 0.40 0.11 -0.91 117.98 121.72 2jgj s PHE 32 Ca -0.12 -2.58 0.01 0.00 -0.60 0.00 0.00 56.93 53.64 2jgj s PHE 32 Cb -0.16 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 2jgj s PHE 32 CO 0.05 -0.96 0.09 -0.51 0.70 0.00 0.00 175.22 174.59 2jgj s LEU 33 N 0.99 3.89 -0.71 -0.37 1.43 -0.44 -0.78 118.68 122.69 2jgj s LEU 33 Ca 0.10 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2jgj s LEU 33 Cb -0.22 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2jgj s LEU 33 CO -0.05 0.22 0.33 0.61 0.23 0.00 0.00 176.35 177.69 2jgj n GLY 34 N 0.80 0.14 3.69 -3.19 0.00 -1.11 -3.93 105.19 101.59 2jgj n GLY 34 Ca -0.10 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.88 4.91 0.07 -0.61 1.01 -0.05 -4.81 121.20 118.85 2jgj s ILE 35 Ca 0.16 1.72 -0.29 0.00 0.00 0.00 0.00 60.65 62.24 2jgj s ILE 35 Cb -0.07 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 2jgj s ILE 35 CO 0.20 0.11 0.93 -2.16 0.00 0.00 0.00 174.94 174.03 2jgj s PRO 36 N 1.53 4.64 0.00 2.79 0.04 -1.26 -0.68 135.00 142.06 2jgj s PRO 36 Ca 0.42 1.38 0.06 0.00 0.04 0.00 0.00 61.00 62.90 2jgj s PRO 36 Cb -0.18 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 2jgj s PRO 36 CO 0.18 0.16 0.41 1.97 0.04 0.00 0.00 177.00 179.76 2jgj n PHE 37 N 3.04 0.00 -4.08 0.56 1.16 -1.08 -4.85 117.46 112.22 2jgj n PHE 37 Ca 0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.52 2jgj n PHE 37 Cb 0.50 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.26 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 -1.22 0.49 0.30 1.98 0.00 -1.25 -3.10 121.76 118.96 2jgj s ALA 38 Ca 0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 2jgj s ALA 38 Cb 0.05 0.22 -0.12 0.00 0.00 0.00 0.00 23.12 23.27 2jgj s ALA 38 CO 0.19 -0.29 1.47 0.39 0.00 0.00 0.00 175.76 177.51 2jgj n GLU 39 N 0.45 2.39 -1.68 0.00 -0.58 0.19 -4.47 120.64 116.94 2jgj n GLU 39 Ca -0.16 0.85 -0.48 0.00 -0.42 0.00 0.00 57.16 56.95 2jgj n GLU 39 Cb 0.59 -2.55 -0.05 0.00 -0.57 0.00 0.00 31.44 28.87 2jgj n GLU 39 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jgj n PRO 40 N 1.59 2.19 -1.39 3.49 -0.02 -1.26 -4.67 135.00 134.92 2jgj n PRO 40 Ca 0.08 0.80 -0.39 0.00 -2.02 0.00 0.00 63.50 61.96 2jgj n PRO 40 Cb 0.35 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 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 5.81 3.77 -4.19 0.52 -0.04 -1.26 -4.89 135.00 134.72 2jgj n PRO 41 Ca 0.21 -2.34 -0.22 0.00 -0.04 0.00 0.00 63.50 61.11 2jgj n PRO 41 Cb 0.30 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 30.90 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 1.88 3.88 0.00 0.52 -7.23 -1.26 -3.23 120.40 114.96 2jgj s VAL 42 Ca 0.68 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 2jgj s VAL 42 Cb 0.18 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 34.00 2jgj s VAL 42 CO -0.06 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 2jgj n GLY 43 N -1.05 3.23 0.05 2.32 0.00 -1.26 -2.06 105.19 106.41 2jgj n GLY 43 Ca -0.07 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 9.33 0.16 -0.09 1.61 3.41 -1.26 -2.74 113.62 124.05 2jgj n SER 44 Ca 0.00 -1.02 0.11 0.00 -0.26 0.00 0.00 58.87 57.70 2jgj n SER 44 Cb 0.00 -0.01 0.14 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.89 0.25 -1.66 4.33 5.12 -0.88 -4.84 116.66 118.09 2jgj n ARG 45 Ca 0.23 -0.17 -0.45 0.00 -1.93 0.00 0.00 57.85 55.53 2jgj n ARG 45 Cb 0.14 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.91 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 -1.23 2.00 -0.81 5.56 0.63 -1.11 -2.04 116.66 119.67 2jgj n ARG 46 Ca 0.06 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 2jgj n ARG 46 Cb 0.35 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 30.87 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 2.24 0.00 -3.94 -0.14 3.72 -1.26 -4.95 117.46 113.13 2jgj n PHE 47 Ca 0.13 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.25 2jgj n PHE 47 Cb 0.30 -0.69 -0.03 0.00 -0.94 0.00 0.00 39.48 38.12 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 -0.50 3.42 0.34 -1.08 -1.94 -0.86 -4.24 119.30 114.44 2jgj s MET 48 Ca 0.00 -0.54 -0.28 0.00 -1.71 0.00 0.00 55.69 53.16 2jgj s MET 48 Cb 0.00 -2.99 -0.12 0.00 2.01 0.00 0.00 34.83 33.73 2jgj s MET 48 CO 0.00 0.56 1.23 -2.30 -0.01 0.00 0.00 175.02 174.50 2jgj n PRO 49 N -0.21 1.96 -2.23 2.03 -0.01 -1.26 -4.93 135.00 130.36 2jgj n PRO 49 Ca -0.06 0.69 -0.41 0.00 -0.01 0.00 0.00 63.50 63.71 2jgj n PRO 49 Cb 0.53 -2.23 -0.03 0.00 -0.01 0.00 0.00 33.50 31.76 2jgj n PRO 49 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 175.50 174.24 2jgj s PRO 50 N -1.83 4.44 -0.04 0.52 0.04 -1.26 -5.05 135.00 131.81 2jgj s PRO 50 Ca 0.56 2.08 -0.04 0.00 0.04 0.00 0.00 61.00 63.64 2jgj s PRO 50 Cb -0.59 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 2jgj s PRO 50 CO 0.62 -0.09 0.17 -1.21 0.04 0.00 0.00 177.00 176.53 2jgj s GLU 51 N -1.44 3.44 0.40 4.56 2.02 -1.26 -5.00 118.70 121.41 2jgj s GLU 51 Ca 0.49 -0.25 -0.26 0.00 0.02 0.00 0.00 54.97 54.97 2jgj s GLU 51 Cb -0.37 -3.13 -0.11 0.00 0.10 0.00 0.00 34.13 30.62 2jgj s GLU 51 CO 0.47 0.71 1.12 -0.35 0.02 0.00 0.00 175.26 177.24 2jgj n PRO 52 N 1.27 1.62 -1.88 0.39 -0.04 -1.26 -0.64 135.00 134.46 2jgj n PRO 52 Ca -0.14 0.58 -0.41 0.00 -0.04 0.00 0.00 63.50 63.49 2jgj n PRO 52 Cb 0.53 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.82 2jgj n PRO 52 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jgj s LYS 53 N -2.00 4.18 0.35 0.54 2.47 -1.18 -4.05 119.74 120.05 2jgj s LYS 53 Ca 0.61 2.47 -0.27 0.00 -1.56 0.00 0.00 55.97 57.22 2jgj s LYS 53 Cb -0.56 -3.02 -0.09 0.00 -1.46 0.00 0.00 37.83 32.70 2jgj s LYS 53 CO 0.58 -0.48 1.14 1.03 0.16 0.00 0.00 175.35 177.78 2jgj s ARG 54 N -1.35 4.32 0.23 4.03 0.52 -1.26 -4.91 118.95 120.54 2jgj s ARG 54 Ca 0.56 1.81 -0.30 0.00 -0.52 0.00 0.00 55.73 57.28 2jgj s ARG 54 Cb -0.45 -2.88 -0.15 0.00 0.52 0.00 0.00 34.95 31.99 2jgj s ARG 54 CO 0.54 -0.08 0.95 -2.30 0.02 0.00 0.00 175.30 174.44 2jgj n PRO 55 N 0.53 1.00 -4.32 3.54 -0.02 -1.26 -5.00 135.00 129.47 2jgj n PRO 55 Ca 0.02 0.35 -0.25 0.00 -2.02 0.00 0.00 63.50 61.61 2jgj n PRO 55 Cb 0.46 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 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 -0.79 2.56 0.24 6.00 -2.14 -0.25 -5.05 118.94 119.52 2jgj s TRP 56 Ca 0.64 -0.47 0.05 0.00 2.66 0.00 0.00 56.10 58.99 2jgj s TRP 56 Cb -0.80 -1.57 -0.03 0.00 -3.10 0.00 0.00 33.47 27.97 2jgj s TRP 56 CO 0.57 0.43 0.34 -1.54 -2.66 0.00 0.00 176.95 174.09 2jgj s SER 57 N -3.74 6.23 0.99 -2.66 1.04 -1.26 -4.59 113.70 109.70 2jgj s SER 57 Ca 0.36 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2jgj s SER 57 Cb 0.01 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.32 2jgj s SER 57 CO 0.20 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2jgj n GLY 58 N -1.36 1.28 3.23 7.32 0.00 -1.26 -4.55 105.19 109.85 2jgj n GLY 58 Ca -0.09 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 3.31 0.04 1.61 1.01 -1.26 -3.66 120.40 121.45 2jgj s VAL 59 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 2jgj s VAL 59 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2jgj s VAL 59 CO 0.00 -0.00 1.17 -0.22 0.00 0.00 0.00 175.10 176.05 2jgj s LEU 60 N 1.35 4.36 -0.33 3.92 2.96 0.16 -4.88 118.68 126.23 2jgj s LEU 60 Ca -0.02 1.94 -0.29 0.00 -0.22 0.00 0.00 54.13 55.55 2jgj s LEU 60 Cb -0.18 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 2jgj s LEU 60 CO -0.00 -0.45 1.40 -0.62 -1.32 0.00 0.00 176.35 175.36 2jgj s ASP 61 N 1.10 6.48 -0.49 3.68 3.68 -1.26 -1.79 116.67 128.07 2jgj s ASP 61 Ca 0.57 1.13 0.07 0.00 2.13 0.00 0.00 52.55 56.45 2jgj s ASP 61 Cb -0.28 -2.54 0.38 0.00 -1.45 0.00 0.00 42.92 39.04 2jgj s ASP 61 CO 0.28 -1.26 0.99 0.00 0.13 0.00 0.00 175.17 175.32 2jgj n ALA 62 N 8.28 4.51 0.10 3.66 0.00 -0.25 -4.74 120.51 132.08 2jgj n ALA 62 Ca 0.16 -4.32 0.01 0.00 0.00 0.00 0.00 53.44 49.29 2jgj n ALA 62 Cb 0.47 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.28 0.00 -4.09 0.00 -2.24 -1.25 -1.32 114.28 105.09 2jgj n THR 63 Ca 0.32 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2jgj n THR 63 Cb 0.55 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.70 2jgj n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jgj s THR 64 N -0.58 0.65 0.43 4.28 -1.32 -1.26 -4.87 115.64 112.97 2jgj s THR 64 Ca 0.02 -1.23 -0.26 0.00 -1.21 0.00 0.00 61.69 59.02 2jgj s THR 64 Cb 0.02 -0.82 -0.08 0.00 -1.51 0.00 0.00 72.50 70.11 2jgj s THR 64 CO 0.05 -0.42 1.37 -0.36 -2.21 0.00 0.00 174.62 173.06 2jgj s PHE 65 N -1.65 2.61 0.50 9.09 0.08 -1.26 -3.41 117.98 123.94 2jgj s PHE 65 Ca -0.06 1.32 -0.04 0.00 0.12 0.00 0.00 56.93 58.28 2jgj s PHE 65 Cb -0.08 -3.82 0.11 0.00 -0.57 0.00 0.00 43.02 38.66 2jgj s PHE 65 CO 0.00 -2.59 0.69 1.04 -0.10 0.00 0.00 175.22 174.26 2jgj n GLN 66 N -0.07 -0.18 -1.91 0.44 1.13 -1.26 -4.90 117.38 110.63 2jgj n GLN 66 Ca 0.05 -1.51 -0.38 0.00 -1.94 0.00 0.00 57.00 53.21 2jgj n GLN 66 Cb 0.43 -0.56 0.02 0.00 0.11 0.00 0.00 30.24 30.23 2jgj n GLN 66 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2jgj s ASN 67 N -3.67 5.64 0.22 1.08 0.01 -1.26 -4.82 114.94 112.14 2jgj s ASN 67 Ca 0.43 2.69 -0.30 0.00 -0.71 0.00 0.00 52.86 54.96 2jgj s ASN 67 Cb -0.02 -2.63 -0.08 0.00 0.41 0.00 0.00 41.25 38.93 2jgj s ASN 67 CO 0.29 -1.31 1.03 -0.69 -1.51 0.00 0.00 177.10 174.91 2jgj s VAL 68 N -1.33 3.90 0.47 1.60 1.01 -0.67 -4.67 120.40 120.72 2jgj s VAL 68 Ca 0.67 1.78 -0.24 0.00 0.00 0.00 0.00 61.98 64.19 2jgj s VAL 68 Cb -0.38 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 2jgj s VAL 68 CO 0.47 0.37 1.29 0.00 0.00 0.00 0.00 175.10 177.23 2jgj s TYR 70 N -1.25 1.75 0.15 0.00 5.04 -1.03 -4.71 117.35 117.30 2jgj s TYR 70 Ca 0.65 -0.16 -0.14 0.00 -2.44 0.00 0.00 57.07 54.99 2jgj s TYR 70 Cb -0.47 -4.14 0.02 0.00 0.35 0.00 0.00 41.96 37.72 2jgj s TYR 70 CO 0.55 -4.92 0.37 1.14 -1.34 0.00 0.00 175.55 171.35 2jgj s GLN 71 N 3.73 1.13 0.44 4.97 -2.07 -1.26 -4.66 119.66 121.94 2jgj s GLN 71 Ca 0.82 -0.89 -0.25 0.00 -1.82 0.00 0.00 55.36 53.23 2jgj s GLN 71 Cb -0.42 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 31.86 2jgj s GLN 71 CO 0.37 -0.44 1.34 0.98 -1.32 0.00 0.00 175.29 176.23 2jgj n TYR 72 N -0.23 2.38 -4.72 9.60 4.19 -1.25 -5.02 117.16 122.11 2jgj n TYR 72 Ca -0.13 0.47 -0.33 0.00 3.31 0.00 0.00 57.90 61.22 2jgj n TYR 72 Cb 0.63 -2.41 -0.15 0.00 0.49 0.00 0.00 39.34 37.90 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 -1.20 2.69 0.20 2.97 1.01 -1.26 -4.87 120.40 119.94 2jgj s VAL 73 Ca 0.62 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2jgj s VAL 73 Cb -0.48 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 2jgj s VAL 73 CO 0.57 0.52 1.39 -0.62 0.00 0.00 0.00 175.10 176.97 2jgj s ASP 74 N 0.59 6.77 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.10 2jgj s ASP 74 Ca -0.09 2.51 0.00 0.00 -0.52 0.00 0.00 52.55 54.45 2jgj s ASP 74 Cb -0.16 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 2jgj s ASP 74 CO 0.03 -0.64 0.00 0.35 0.52 0.00 0.00 175.17 175.43 2jgj n THR 75 N 2.83 0.00 -0.40 1.71 -2.24 -1.26 -4.84 114.28 110.09 2jgj n THR 75 Ca 0.08 -0.11 0.35 0.00 -2.27 0.00 0.00 64.05 62.10 2jgj n THR 75 Cb 0.41 0.57 0.68 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.16 -6.14 3.22 5.85 -2.03 -3.20 115.31 113.17 2jgj h LEU 76 Ca 0.00 0.05 -0.57 0.00 0.84 0.00 0.00 57.88 58.19 2jgj h LEU 76 Cb 0.00 0.03 -0.39 0.00 0.37 0.00 0.00 40.66 40.66 2jgj h LEU 76 CO 0.00 -0.01 -1.00 -1.22 -0.34 0.00 0.00 178.44 175.87 2jgj n TYR 77 N -4.35 0.15 -1.73 1.25 4.01 -1.26 -5.12 117.16 110.11 2jgj n TYR 77 Ca 0.30 -3.61 -0.42 0.00 -0.16 0.00 0.00 57.90 54.01 2jgj n TYR 77 Cb 1.30 -0.26 -0.02 0.00 -0.31 0.00 0.00 39.34 40.04 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 -1.11 4.12 0.00 -0.72 0.02 -1.21 -2.14 135.00 133.95 2jgj s PRO 78 Ca 0.35 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.98 2jgj s PRO 78 Cb 0.13 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.60 2jgj s PRO 78 CO -0.12 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 2jgj n GLY 79 N 3.37 1.86 3.67 0.52 0.00 -1.26 -5.02 105.19 108.32 2jgj n GLY 79 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.18 3.40 0.49 1.61 5.36 -0.91 -4.95 117.98 119.80 2jgj s PHE 80 Ca 0.00 1.36 0.17 0.00 -0.96 0.00 0.00 56.93 57.50 2jgj s PHE 80 Cb 0.00 -3.12 1.21 0.00 -0.34 0.00 0.00 43.02 40.76 2jgj s PHE 80 CO 0.00 -0.32 2.09 1.49 -1.46 0.00 0.00 175.22 177.02 2jgj h GLU 81 N 7.36 0.00 0.00 10.12 4.57 -1.95 -1.06 114.58 133.62 2jgj h GLU 81 Ca -0.26 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 2jgj h GLU 81 Cb 1.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2jgj h GLU 81 CO 0.88 0.08 -0.04 0.78 -1.18 0.00 0.00 179.01 179.53 2jgj h GLY 82 N 0.27 0.00 0.00 1.92 0.00 -1.93 -1.79 103.07 101.54 2jgj h GLY 82 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 2jgj h GLY 82 CO 0.01 0.00 -2.39 -1.30 0.00 0.00 0.00 176.54 172.86 2jgj n THR 83 N -4.45 1.40 0.30 4.70 -2.24 -0.95 -4.53 114.28 108.50 2jgj n THR 83 Ca -0.03 -0.58 0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2jgj n THR 83 Cb 0.13 -1.25 0.90 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.00 0.00 0.00 -0.78 4.39 -1.12 -2.14 114.58 114.93 2jgj h GLU 84 Ca -0.55 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.14 2jgj h GLU 84 Cb 1.90 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.55 2jgj h GLU 84 CO -0.07 0.04 -0.08 0.00 -1.16 0.00 0.00 179.01 177.74 2jgj h MET 85 N 0.00 0.00 -0.01 2.33 -0.00 -1.56 -2.02 114.93 113.67 2jgj h MET 85 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2jgj h MET 85 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 2jgj h MET 85 CO 0.01 0.08 -0.44 0.91 -0.00 0.00 0.00 176.91 177.47 2jgj n TRP 86 N -3.36 0.00 -2.00 -0.10 7.02 -0.81 -4.74 117.44 113.45 2jgj n TRP 86 Ca -0.01 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.16 2jgj n TRP 86 Cb 0.26 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.12 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 -2.49 6.27 0.24 -0.99 0.01 -0.76 -4.67 114.94 112.55 2jgj s ASN 87 Ca 0.20 1.48 -0.31 0.00 -0.71 0.00 0.00 52.86 53.52 2jgj s ASN 87 Cb 0.18 -2.48 -0.13 0.00 0.41 0.00 0.00 41.25 39.23 2jgj s ASN 87 CO 0.57 -0.84 1.49 -2.65 -1.51 0.00 0.00 177.10 174.16 2jgj n PRO 88 N -2.44 2.26 -0.26 -0.60 -0.02 -1.26 -4.88 135.00 127.80 2jgj n PRO 88 Ca 0.06 0.81 0.06 0.00 -2.02 0.00 0.00 63.50 62.41 2jgj n PRO 88 Cb 0.54 -2.52 0.19 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.41 3.22 -4.17 2.55 6.94 -1.26 -4.98 115.26 119.96 2jgj n ASN 89 Ca 0.12 -2.25 -0.12 0.00 -0.02 0.00 0.00 54.58 52.31 2jgj n ASN 89 Cb 0.33 -0.32 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 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 -1.45 1.24 0.37 -3.83 1.81 -1.26 -5.09 118.95 110.75 2jgj s ARG 90 Ca 0.29 -1.59 -0.28 0.00 -1.72 0.00 0.00 55.73 52.43 2jgj s ARG 90 Cb 0.18 0.29 -0.11 0.00 -0.45 0.00 0.00 34.95 34.86 2jgj s ARG 90 CO 0.15 -0.42 1.48 -1.21 -0.68 0.00 0.00 175.30 174.62 2jgj s GLU 91 N -4.14 4.12 0.38 3.54 0.41 -1.26 -4.49 118.70 117.26 2jgj s GLU 91 Ca 0.37 2.55 -0.24 0.00 -0.41 0.00 0.00 54.97 57.24 2jgj s GLU 91 Cb 0.06 -2.97 -0.10 0.00 -1.78 0.00 0.00 34.13 29.35 2jgj s GLU 91 CO 0.12 -0.52 1.00 -0.51 -0.49 0.00 0.00 175.26 174.86 2jgj s LEU 92 N -2.09 4.16 -0.13 1.80 1.43 -1.26 -1.66 118.68 120.93 2jgj s LEU 92 Ca 0.53 1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 55.24 2jgj s LEU 92 Cb -0.46 -4.20 0.12 0.00 0.03 0.00 0.00 46.19 41.68 2jgj s LEU 92 CO 0.63 -0.35 0.98 -0.55 0.23 0.00 0.00 176.35 177.28 2jgj s SER 93 N -1.69 -0.37 0.23 2.29 0.15 -0.75 -4.91 113.70 108.65 2jgj s SER 93 Ca 0.56 0.33 0.26 0.00 0.70 0.00 0.00 55.95 57.80 2jgj s SER 93 Cb -0.19 0.32 0.82 0.00 -1.71 0.00 0.00 66.02 65.26 2jgj s SER 93 CO 0.24 -0.39 1.77 -0.62 1.20 0.00 0.00 173.24 175.43 2jgj n GLU 94 N 0.55 0.26 -2.79 5.44 1.02 -1.26 -2.46 120.64 121.40 2jgj n GLU 94 Ca -0.10 0.25 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 2jgj n GLU 94 Cb 0.59 -1.83 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 2jgj n GLU 94 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jgj s ASP 95 N -4.56 6.82 0.00 1.62 -1.08 -1.26 -4.24 116.67 113.97 2jgj s ASP 95 Ca 0.10 -2.39 0.00 0.00 -0.52 0.00 0.00 52.55 49.74 2jgj s ASP 95 Cb 0.12 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 2jgj s ASP 95 CO 0.57 -1.05 0.56 0.00 0.52 0.00 0.00 175.17 175.77 2jgj n LEU 97 N -0.10 5.36 -4.10 0.00 4.77 -1.26 -4.60 117.00 117.07 2jgj n LEU 97 Ca 0.00 -4.25 -0.16 0.00 -0.03 0.00 0.00 56.01 51.57 2jgj n LEU 97 Cb 0.42 -1.66 -0.12 0.00 -2.33 0.00 0.00 43.42 39.73 2jgj n LEU 97 CO 0.00 0.60 -0.43 -0.31 -1.33 0.00 0.00 177.39 175.92 2jgj s TYR 98 N 2.58 0.91 0.30 -1.77 2.02 -1.26 -2.63 117.35 117.50 2jgj s TYR 98 Ca 0.47 -0.43 0.11 0.00 -0.37 0.00 0.00 57.07 56.85 2jgj s TYR 98 Cb 0.02 -0.53 -0.06 0.00 -0.40 0.00 0.00 41.96 40.99 2jgj s TYR 98 CO 0.03 -0.01 -0.15 -0.48 -1.57 0.00 0.00 175.55 173.36 2jgj s LEU 99 N -1.44 2.64 -0.02 -1.29 0.05 0.15 -0.94 118.68 117.83 2jgj s LEU 99 Ca -0.05 -1.10 0.06 0.00 0.05 0.00 0.00 54.13 53.10 2jgj s LEU 99 Cb -0.09 -1.02 -0.02 0.00 -2.05 0.00 0.00 46.19 43.01 2jgj s LEU 99 CO 0.01 -0.08 -0.21 0.20 -0.55 0.00 0.00 176.35 175.73 2jgj s ASN 100 N -3.54 2.44 -0.11 1.48 0.01 0.91 -0.87 114.94 115.26 2jgj s ASN 100 Ca 0.31 -0.38 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 2jgj s ASN 100 Cb -0.02 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.36 2jgj s ASN 100 CO 0.15 0.25 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.13 2jgj s VAL 101 N -0.46 1.61 -0.09 1.60 1.01 0.04 -1.34 120.40 122.77 2jgj s VAL 101 Ca 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2jgj s VAL 101 Cb -0.08 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2jgj s VAL 101 CO -0.01 0.46 -0.08 0.26 0.00 0.00 0.00 175.10 175.73 2jgj s TRP 102 N 0.83 2.89 0.17 5.22 0.51 -0.10 0.06 118.94 128.52 2jgj s TRP 102 Ca -0.09 -0.15 0.03 0.00 -2.12 0.00 0.00 56.10 53.76 2jgj s TRP 102 Cb -0.16 -1.75 -0.05 0.00 -0.81 0.00 0.00 33.47 30.70 2jgj s TRP 102 CO 0.01 0.18 -0.03 0.95 -0.51 0.00 0.00 176.95 177.54 2jgj s THR 103 N -0.45 0.85 0.91 2.01 -4.23 -0.06 -1.27 115.64 113.41 2jgj s THR 103 Ca 0.06 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 2jgj s THR 103 Cb -0.12 -2.06 0.14 0.00 1.34 0.00 0.00 72.50 71.80 2jgj s THR 103 CO 0.02 -0.54 1.09 -2.16 -0.54 0.00 0.00 174.62 172.49 2jgj s PRO 104 N -3.86 1.12 -0.17 3.99 0.04 -1.26 -1.89 135.00 132.96 2jgj s PRO 104 Ca 0.22 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2jgj s PRO 104 Cb 0.05 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.84 2jgj s PRO 104 CO 0.03 -2.37 -0.09 -0.47 0.04 0.00 0.00 177.00 174.15 2jgj s TYR 105 N -2.86 2.04 0.80 0.56 5.04 -1.22 -2.82 117.35 118.89 2jgj s TYR 105 Ca 0.64 -1.28 -0.11 0.00 -2.44 0.00 0.00 57.07 53.89 2jgj s TYR 105 Cb -0.19 -1.48 0.07 0.00 0.35 0.00 0.00 41.96 40.71 2jgj s TYR 105 CO 0.58 -0.67 1.09 -1.25 -1.34 0.00 0.00 175.55 173.96 2jgj s PRO 106 N 1.52 2.02 0.47 4.97 0.04 -1.26 -4.75 135.00 138.01 2jgj s PRO 106 Ca 0.01 1.01 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 2jgj s PRO 106 Cb -0.15 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2jgj s PRO 106 CO -0.08 -1.76 1.27 -0.98 0.04 0.00 0.00 177.00 175.48 2jgj s ARG 107 N -4.94 3.61 0.21 4.56 1.70 -1.13 -4.81 118.95 118.14 2jgj s ARG 107 Ca 0.61 2.04 -0.31 0.00 -0.47 0.00 0.00 55.73 57.61 2jgj s ARG 107 Cb -0.17 -2.45 -0.15 0.00 -0.57 0.00 0.00 34.95 31.60 2jgj s ARG 107 CO 0.56 -0.75 1.02 -2.30 -1.08 0.00 0.00 175.30 172.74 2jgj n PRO 108 N -0.50 1.02 0.07 3.89 -0.02 -1.26 -4.86 135.00 133.35 2jgj n PRO 108 Ca 0.07 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2jgj n PRO 108 Cb 0.46 -1.75 0.34 0.00 -0.02 0.00 0.00 33.50 32.53 2jgj n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jgj h ALA 109 N 2.54 1.42 -2.51 3.55 0.00 -1.94 -3.45 119.26 118.87 2jgj h ALA 109 Ca -0.40 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 53.94 2jgj h ALA 109 Cb 1.36 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.88 2jgj h ALA 109 CO 0.65 0.40 -0.73 -1.54 0.00 0.00 0.00 179.25 178.03 2jgj s SER 110 N -6.83 1.78 -0.12 0.00 1.04 -1.26 -5.11 113.70 103.19 2jgj s SER 110 Ca -0.06 -0.91 -0.36 0.00 0.48 0.00 0.00 55.95 55.09 2jgj s SER 110 Cb 0.15 -0.02 -0.17 0.00 0.10 0.00 0.00 66.02 66.08 2jgj s SER 110 CO 0.75 -0.26 1.05 -2.65 0.98 0.00 0.00 173.24 173.11 2jgj n PRO 111 N 0.16 0.00 -5.09 4.02 -0.02 -1.26 -4.89 135.00 127.92 2jgj n PRO 111 Ca -0.13 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.05 2jgj n PRO 111 Cb 0.59 -1.29 -0.17 0.00 -0.02 0.00 0.00 33.50 32.61 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 0.74 1.84 0.26 3.45 2.01 -0.35 -4.74 115.64 118.84 2jgj s THR 112 Ca 0.82 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 2jgj s THR 112 Cb -1.15 -1.59 -0.15 0.00 0.01 0.00 0.00 72.50 69.62 2jgj s THR 112 CO 0.55 0.51 0.89 -2.65 -0.69 0.00 0.00 174.62 173.24 2jgj n PRO 113 N 3.36 0.97 -4.20 4.92 -0.02 -1.26 0.02 135.00 138.78 2jgj n PRO 113 Ca -0.19 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.29 2jgj n PRO 113 Cb 0.53 -1.62 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.98 4.39 -0.17 -1.45 1.01 -0.26 -3.28 120.40 119.68 2jgj s VAL 114 Ca 0.61 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 2jgj s VAL 114 Cb -0.78 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2jgj s VAL 114 CO 0.58 0.49 0.01 -0.76 0.00 0.00 0.00 175.10 175.42 2jgj s LEU 115 N 0.21 3.49 -0.25 3.92 1.43 -0.25 -0.89 118.68 126.34 2jgj s LEU 115 Ca 0.01 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2jgj s LEU 115 Cb -0.13 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.26 2jgj s LEU 115 CO 0.01 0.17 -0.06 -0.63 0.23 0.00 0.00 176.35 176.07 2jgj s ILE 116 N 0.37 2.87 -0.02 -0.59 1.01 -0.03 0.18 121.20 124.99 2jgj s ILE 116 Ca -0.01 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.44 2jgj s ILE 116 Cb -0.13 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 2jgj s ILE 116 CO 0.02 0.20 0.50 0.86 0.00 0.00 0.00 174.94 176.52 2jgj s TRP 117 N 1.33 3.67 -0.29 3.97 -0.11 0.84 -1.02 118.94 127.33 2jgj s TRP 117 Ca 0.00 1.05 0.02 0.00 1.22 0.00 0.00 56.10 58.39 2jgj s TRP 117 Cb -0.17 -2.47 0.08 0.00 -1.50 0.00 0.00 33.47 29.42 2jgj s TRP 117 CO -0.05 0.43 0.01 0.42 -4.62 0.00 0.00 176.95 173.15 2jgj s ILE 118 N -0.39 1.70 0.88 5.86 1.01 -0.74 -3.74 121.20 125.78 2jgj s ILE 118 Ca 0.27 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.13 2jgj s ILE 118 Cb -0.17 -2.11 0.12 0.00 0.01 0.00 0.00 42.46 40.31 2jgj s ILE 118 CO 0.14 -0.39 1.14 0.00 0.00 0.00 0.00 174.94 175.84 2jgj n TYR 119 N 4.55 0.93 -1.55 3.97 0.18 -1.26 -3.58 117.16 120.39 2jgj n TYR 119 Ca -0.05 0.40 0.00 0.00 1.88 0.00 0.00 57.90 60.13 2jgj n TYR 119 Cb 0.43 -2.03 0.00 0.00 -0.38 0.00 0.00 39.34 37.36 2jgj n TYR 119 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2jgj n GLY 120 N 0.40 0.70 0.00 -7.48 0.00 -1.15 -3.00 105.19 94.67 2jgj n GLY 120 Ca 0.12 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 1.51 2.40 -0.02 0.00 -1.26 -4.05 105.19 108.78 2jgj n GLY 121 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.28 3.15 -0.02 0.00 -1.26 -0.63 105.19 106.71 2jgj n GLY 122 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.55 0.00 0.04 1.61 3.72 -1.26 -4.76 117.46 113.27 2jgj n PHE 123 Ca -0.20 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.20 2jgj n PHE 123 Cb 0.64 -1.54 -0.01 0.00 -0.94 0.00 0.00 39.48 37.63 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 -2.11 0.00 -3.98 1.38 0.18 -0.60 0.46 117.16 112.48 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 0.29 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.20 2jgj n TYR 124 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2jgj n SER 125 N -1.29 -0.94 0.00 9.48 3.41 0.20 -3.96 113.62 120.52 2jgj n SER 125 Ca 0.00 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 2jgj n SER 125 Cb 0.04 1.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.77 2jgj n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jgj n GLY 126 N -0.44 2.70 3.61 5.00 0.00 -1.26 -4.07 105.19 110.74 2jgj n GLY 126 Ca 0.01 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.26 -2.00 -2.00 4.61 0.00 -1.26 -4.66 121.76 114.19 2jgj s ALA 127 Ca 0.00 1.73 0.12 0.00 0.00 0.00 0.00 51.96 53.81 2jgj s ALA 127 Cb 0.00 -1.16 0.73 0.00 0.00 0.00 0.00 23.12 22.69 2jgj s ALA 127 CO 0.00 -0.25 1.43 0.00 0.00 0.00 0.00 175.76 176.94 2jgj n ALA 128 N 1.30 2.52 0.63 0.00 0.00 -1.26 -3.59 120.51 120.11 2jgj n ALA 128 Ca -0.10 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2jgj n ALA 128 Cb 0.57 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.70 1.47 -4.73 0.00 3.41 -1.26 -4.88 113.62 106.93 2jgj n SER 129 Ca 0.09 -1.24 -0.36 0.00 -0.26 0.00 0.00 58.87 57.10 2jgj n SER 129 Cb 0.04 0.49 0.07 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.94 3.54 0.37 1.04 1.43 -1.24 -4.89 118.68 116.99 2jgj s LEU 130 Ca 0.12 2.56 0.07 0.00 -1.03 0.00 0.00 54.13 55.85 2jgj s LEU 130 Cb 0.11 -4.61 0.77 0.00 0.03 0.00 0.00 46.19 42.49 2jgj s LEU 130 CO 0.37 -2.02 1.96 0.44 0.23 0.00 0.00 176.35 177.32 2jgj h ASP 131 N 0.43 0.64 0.41 2.29 3.32 -1.95 -2.26 116.42 119.31 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 1.33 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2jgj h ASP 131 CO 0.53 0.41 0.00 1.33 -1.72 0.00 0.00 179.24 179.78 2jgj n VAL 132 N -4.48 1.11 -0.51 -1.35 0.24 -1.26 -1.84 118.33 110.23 2jgj n VAL 132 Ca 0.11 0.37 0.09 0.00 -2.04 0.00 0.00 64.34 62.86 2jgj n VAL 132 Cb 0.25 -1.26 0.29 0.00 -1.47 0.00 0.00 33.84 31.65 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 -1.89 1.09 -1.65 6.34 4.01 -0.85 -4.52 117.16 119.70 2jgj n TYR 133 Ca 0.02 -0.59 -0.43 0.00 -0.16 0.00 0.00 57.90 56.73 2jgj n TYR 133 Cb 0.14 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.92 3.90 -1.05 7.72 -0.08 -0.77 -4.88 116.55 122.32 2jgj n ASP 134 Ca 0.22 0.82 0.08 0.00 -1.51 0.00 0.00 54.79 54.39 2jgj n ASP 134 Cb 0.73 -1.50 0.24 0.00 2.34 0.00 0.00 41.12 42.93 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 4.72 1.63 0.23 0.27 0.00 -1.26 -4.41 105.19 106.37 2jgj n GLY 135 Ca 0.22 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 3.00 0.74 0.64 1.61 0.11 -1.89 -2.52 114.38 116.07 2jgj h ARG 136 Ca 0.00 -0.47 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 2jgj h ARG 136 Cb 0.84 0.05 0.01 0.00 1.11 0.00 0.00 29.97 31.99 2jgj h ARG 136 CO 0.06 1.09 -0.31 0.74 0.10 0.00 0.00 179.97 181.66 2jgj h PHE 137 N 0.57 -0.79 -0.99 4.08 0.04 -1.78 0.16 116.94 118.22 2jgj h PHE 137 Ca 0.01 -0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.89 2jgj h PHE 137 Cb 1.13 0.26 -0.08 0.00 2.20 0.00 0.00 35.95 39.46 2jgj h PHE 137 CO 0.06 -0.47 0.62 -0.07 -0.60 0.00 0.00 178.31 177.86 2jgj h LEU 138 N -0.93 0.89 -0.55 1.54 3.38 -1.72 0.17 115.31 118.09 2jgj h LEU 138 Ca -0.09 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2jgj h LEU 138 Cb 0.68 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2jgj h LEU 138 CO 0.14 0.47 -0.00 0.00 0.09 0.00 0.00 178.44 179.14 2jgj h ALA 139 N 1.55 0.74 0.03 1.53 0.00 -1.16 -2.52 119.26 119.42 2jgj h ALA 139 Ca 0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jgj h ALA 139 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jgj h ALA 139 CO -0.26 0.56 -0.01 0.37 0.00 0.00 0.00 179.25 179.91 2jgj h GLN 140 N 0.84 -0.04 -0.18 0.00 -0.00 0.47 -2.85 115.11 113.36 2jgj h GLN 140 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.61 2jgj h GLN 140 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.03 2jgj h GLN 140 CO 0.03 0.57 -0.66 0.28 0.00 0.00 0.00 178.83 179.06 2jgj h VAL 141 N -0.96 1.30 -0.08 2.39 2.07 -0.85 -3.34 116.25 116.78 2jgj h VAL 141 Ca -0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2jgj h VAL 141 Cb 0.62 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2jgj h VAL 141 CO 0.01 0.60 0.00 -0.62 0.02 0.00 0.00 177.57 177.57 2jgj n GLU 142 N -3.94 0.91 -2.73 1.57 -0.58 -0.99 -4.99 120.64 109.90 2jgj n GLU 142 Ca -0.05 -1.27 -0.21 0.00 -0.42 0.00 0.00 57.16 55.22 2jgj n GLU 142 Cb 0.68 -1.19 0.01 0.00 -0.57 0.00 0.00 31.44 30.37 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 0.47 -0.51 3.78 0.62 0.00 -1.08 -4.98 105.19 103.49 2jgj n GLY 143 Ca 0.06 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.03 3.33 -0.30 4.61 0.00 -0.99 -4.84 121.76 120.55 2jgj s ALA 144 Ca 0.15 0.44 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 2jgj s ALA 144 Cb -0.07 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2jgj s ALA 144 CO 0.19 0.24 0.60 0.08 0.00 0.00 0.00 175.76 176.86 2jgj s VAL 145 N -1.41 4.97 -0.13 0.00 1.01 -1.20 -4.01 120.40 119.62 2jgj s VAL 145 Ca 0.44 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 2jgj s VAL 145 Cb -0.21 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2jgj s VAL 145 CO 0.25 -0.11 -0.11 -0.22 0.00 0.00 0.00 175.10 174.91 2jgj s LEU 146 N 2.54 2.82 -0.02 3.92 0.20 -0.39 -1.09 118.68 126.65 2jgj s LEU 146 Ca 0.24 -0.28 0.07 0.00 0.69 0.00 0.00 54.13 54.84 2jgj s LEU 146 Cb -0.15 -1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 43.94 2jgj s LEU 146 CO 0.11 0.17 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.43 2jgj s VAL 147 N 0.32 2.37 0.01 1.68 1.01 0.13 -0.93 120.40 124.98 2jgj s VAL 147 Ca -0.09 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 2jgj s VAL 147 Cb -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2jgj s VAL 147 CO 0.05 0.56 -0.01 -0.94 0.00 0.00 0.00 175.10 174.76 2jgj s SER 148 N -0.72 0.11 0.17 3.32 1.04 -0.45 -0.11 113.70 117.06 2jgj s SER 148 Ca 0.11 -0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.39 2jgj s SER 148 Cb -0.10 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 2jgj s SER 148 CO -0.00 -0.15 -0.18 0.00 0.98 0.00 0.00 173.24 173.88 2jgj s MET 149 N -0.72 1.30 0.26 4.02 0.23 -1.25 -0.06 119.30 123.07 2jgj s MET 149 Ca -0.08 -1.43 -0.17 0.00 -1.03 0.00 0.00 55.69 52.97 2jgj s MET 149 Cb -0.05 -1.34 -0.08 0.00 -1.53 0.00 0.00 34.83 31.82 2jgj s MET 149 CO -0.00 0.27 0.72 -0.80 -2.03 0.00 0.00 175.02 173.17 2jgj s ASN 150 N -2.73 6.93 0.01 -1.18 0.01 -0.12 -4.47 114.94 113.39 2jgj s ASN 150 Ca 0.17 1.34 -0.02 0.00 -0.71 0.00 0.00 52.86 53.64 2jgj s ASN 150 Cb -0.05 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.20 2jgj s ASN 150 CO 0.07 -0.06 0.03 -0.72 -1.51 0.00 0.00 177.10 174.91 2jgj s TYR 151 N -1.70 0.14 0.19 2.20 1.13 -1.26 -4.54 117.35 113.50 2jgj s TYR 151 Ca 0.47 -0.28 -0.31 0.00 -1.41 0.00 0.00 57.07 55.53 2jgj s TYR 151 Cb -0.14 -0.11 -0.10 0.00 -1.10 0.00 0.00 41.96 40.51 2jgj s TYR 151 CO 0.20 -0.18 1.53 1.03 -2.51 0.00 0.00 175.55 175.62 2jgj s ARG 152 N -1.11 4.23 0.44 -3.49 0.52 -1.26 -4.87 118.95 113.41 2jgj s ARG 152 Ca -0.12 2.34 0.06 0.00 -0.52 0.00 0.00 55.73 57.49 2jgj s ARG 152 Cb -0.07 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.21 2jgj s ARG 152 CO -0.00 -0.56 0.08 0.14 0.02 0.00 0.00 175.30 174.99 2jgj s VAL 153 N 0.82 1.89 0.00 3.52 -7.23 -1.26 -3.79 120.40 114.35 2jgj s VAL 153 Ca 0.67 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2jgj s VAL 153 Cb -0.43 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.74 2jgj s VAL 153 CO 0.35 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 2jgj n GLY 154 N -1.16 2.14 0.37 2.32 0.00 0.17 -2.58 105.19 106.45 2jgj n GLY 154 Ca -0.07 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 1.08 -0.32 2.61 1.35 -1.89 -0.34 112.91 115.40 2jgj h THR 155 Ca 0.00 -0.39 -0.05 0.00 -0.55 0.00 0.00 66.41 65.42 2jgj h THR 155 Cb 0.00 -0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 66.24 2jgj h THR 155 CO 0.00 0.21 -0.00 -0.26 -0.25 0.00 0.00 175.52 175.22 2jgj h PHE 156 N 1.14 0.51 0.00 4.73 0.04 -1.86 -1.67 116.94 119.84 2jgj h PHE 156 Ca 0.42 -0.05 -0.32 0.00 2.80 0.00 0.00 57.97 60.83 2jgj h PHE 156 Cb 0.18 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.12 2jgj h PHE 156 CO -0.00 0.51 -1.95 0.41 -0.60 0.00 0.00 178.31 176.68 2jgj n GLY 157 N -0.90 -0.98 0.00 -1.45 0.00 -0.98 -4.18 105.19 96.70 2jgj n GLY 157 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.97 0.00 -1.81 1.61 3.72 -0.17 -2.13 117.46 115.72 2jgj n PHE 158 Ca -0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.75 2jgj n PHE 158 Cb 1.09 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.60 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 -0.82 4.39 -0.01 4.37 0.20 -0.63 -4.46 118.68 121.71 2jgj s LEU 159 Ca 0.00 2.60 0.02 0.00 0.69 0.00 0.00 54.13 57.44 2jgj s LEU 159 Cb 0.00 -3.56 -0.00 0.00 -0.43 0.00 0.00 46.19 42.20 2jgj s LEU 159 CO 0.00 -0.96 -0.07 0.00 -0.29 0.00 0.00 176.35 175.03 2jgj s ALA 160 N 3.13 0.59 -0.57 5.97 0.00 -1.26 -4.40 121.76 125.21 2jgj s ALA 160 Ca 0.79 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 2jgj s ALA 160 Cb -0.42 -0.18 0.15 0.00 0.00 0.00 0.00 23.12 22.67 2jgj s ALA 160 CO 0.35 0.13 0.37 -0.51 0.00 0.00 0.00 175.76 176.10 2jgj s LEU 161 N -0.05 5.01 0.18 0.00 1.43 0.04 -3.84 118.68 121.45 2jgj s LEU 161 Ca 0.01 -2.80 -0.33 0.00 -1.03 0.00 0.00 54.13 49.98 2jgj s LEU 161 Cb -0.04 -1.79 -0.14 0.00 0.03 0.00 0.00 46.19 44.24 2jgj s LEU 161 CO -0.00 -0.35 1.39 -2.65 0.23 0.00 0.00 176.35 174.97 2jgj n PRO 162 N 3.51 1.76 0.00 1.29 -0.02 -1.26 -1.47 135.00 138.81 2jgj n PRO 162 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2jgj n PRO 162 Cb 0.37 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 2.50 3.34 3.74 -1.23 0.00 -1.26 -5.05 105.19 107.24 2jgj n GLY 163 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.82 4.04 0.06 1.61 1.04 -0.54 -4.98 113.70 114.11 2jgj s SER 164 Ca 0.00 1.71 0.03 0.00 0.48 0.00 0.00 55.95 58.17 2jgj s SER 164 Cb 0.00 -2.39 -0.24 0.00 0.10 0.00 0.00 66.02 63.48 2jgj s SER 164 CO 0.00 -2.31 1.06 -0.09 0.98 0.00 0.00 173.24 172.88 2jgj h ARG 165 N -1.32 0.12 -0.32 4.02 2.43 -1.97 -3.36 114.38 113.98 2jgj h ARG 165 Ca -0.46 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 2jgj h ARG 165 Cb 1.25 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2jgj h ARG 165 CO 0.52 1.00 0.00 -0.85 -1.51 0.00 0.00 179.97 179.13 2jgj n GLU 166 N -3.37 2.90 -2.73 0.20 0.00 -1.26 -4.49 120.64 111.89 2jgj n GLU 166 Ca -0.08 -2.31 -0.09 0.00 0.00 0.00 0.00 57.16 54.69 2jgj n GLU 166 Cb 1.00 -1.46 0.09 0.00 0.00 0.00 0.00 31.44 31.07 2jgj n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgj n ALA 167 N 0.17 -0.98 1.54 -1.84 0.00 -1.26 -4.52 120.51 113.63 2jgj n ALA 167 Ca 0.15 -1.38 0.13 0.00 0.00 0.00 0.00 53.44 52.33 2jgj n ALA 167 Cb 0.58 -1.30 0.74 0.00 0.00 0.00 0.00 19.45 19.46 2jgj n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jgj n PRO 168 N 0.42 0.74 0.00 0.00 -0.04 -1.26 -0.78 135.00 134.08 2jgj n PRO 168 Ca 0.05 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2jgj n PRO 168 Cb 0.70 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2jgj n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jgj n GLY 169 N 0.60 -1.99 2.49 0.55 0.00 -1.26 -4.73 105.19 100.85 2jgj n GLY 169 Ca 0.18 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.96 -5.07 0.10 1.61 3.02 -1.26 -4.89 115.26 106.82 2jgj n ASN 170 Ca 0.00 0.40 -0.02 0.00 -0.03 0.00 0.00 54.58 54.93 2jgj n ASN 170 Cb 0.00 -4.09 0.23 0.00 -0.61 0.00 0.00 39.78 35.32 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 1.31 -0.27 2.41 -1.51 -1.78 -1.13 116.25 115.29 2jgj h VAL 171 Ca -0.36 -1.53 0.06 0.00 -1.23 0.00 0.00 66.70 63.64 2jgj h VAL 171 Cb 1.13 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 2jgj h VAL 171 CO 0.51 0.46 0.19 1.23 -1.23 0.00 0.00 177.57 178.73 2jgj h GLY 172 N 1.24 0.10 1.81 5.19 0.00 -1.63 0.43 103.07 110.22 2jgj h GLY 172 Ca 0.01 -0.03 -0.23 0.00 0.00 0.00 0.00 47.33 47.08 2jgj h GLY 172 CO 0.06 0.02 -1.13 1.41 0.00 0.00 0.00 176.54 176.91 2jgj h LEU 173 N 0.08 0.11 -0.57 3.11 3.38 -1.53 -2.84 115.31 117.05 2jgj h LEU 173 Ca 0.12 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2jgj h LEU 173 Cb 0.39 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2jgj h LEU 173 CO -0.01 1.10 -0.42 -0.07 0.09 0.00 0.00 178.44 179.13 2jgj h LEU 174 N 0.02 0.72 -0.26 1.67 3.38 -0.43 0.74 115.31 121.15 2jgj h LEU 174 Ca -0.07 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.63 2jgj h LEU 174 Cb 1.84 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.31 2jgj h LEU 174 CO 0.14 1.04 -0.35 0.44 0.09 0.00 0.00 178.44 179.80 2jgj h ASP 175 N 0.55 -1.14 -0.43 -0.43 3.32 -0.21 0.85 116.42 118.92 2jgj h ASP 175 Ca 0.04 0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.33 2jgj h ASP 175 Cb 0.95 0.50 -0.06 0.00 0.22 0.00 0.00 39.33 40.94 2jgj h ASP 175 CO 0.09 -0.36 0.11 1.56 -1.72 0.00 0.00 179.24 178.92 2jgj h GLN 176 N -0.36 0.25 -0.67 3.56 4.20 -1.20 -1.76 115.11 119.14 2jgj h GLN 176 Ca 0.12 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.89 2jgj h GLN 176 Cb 0.56 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 2jgj h GLN 176 CO -0.45 0.17 0.35 -0.09 -0.67 0.00 0.00 178.83 178.13 2jgj h ARG 177 N 0.26 0.61 -0.63 1.46 2.43 -0.46 -1.37 114.38 116.67 2jgj h ARG 177 Ca 0.21 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2jgj h ARG 177 Cb 0.24 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2jgj h ARG 177 CO -0.25 0.40 0.34 1.25 -1.51 0.00 0.00 179.97 180.20 2jgj h LEU 178 N 0.62 0.80 -1.51 3.80 5.85 -0.37 -0.52 115.31 123.98 2jgj h LEU 178 Ca 0.31 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2jgj h LEU 178 Cb 0.26 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2jgj h LEU 178 CO -0.22 0.67 0.01 0.00 -0.34 0.00 0.00 178.44 178.56 2jgj h ALA 179 N 1.16 1.60 -0.20 1.25 0.00 -0.82 0.15 119.26 122.41 2jgj h ALA 179 Ca 0.22 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2jgj h ALA 179 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jgj h ALA 179 CO -0.03 0.30 -0.59 -0.07 0.00 0.00 0.00 179.25 178.85 2jgj h LEU 180 N 0.32 0.73 -0.60 0.00 3.38 -0.84 -1.92 115.31 116.37 2jgj h LEU 180 Ca 0.07 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2jgj h LEU 180 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2jgj h LEU 180 CO 0.00 1.16 0.30 1.56 0.09 0.00 0.00 178.44 181.55 2jgj h GLN 181 N 0.49 0.86 -0.58 1.13 4.20 -0.22 -2.09 115.11 118.89 2jgj h GLN 181 Ca -0.00 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.62 2jgj h GLN 181 Cb 1.17 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.75 2jgj h GLN 181 CO 0.12 0.68 0.36 2.35 -0.67 0.00 0.00 178.83 181.67 2jgj h TRP 182 N 0.82 0.67 -0.50 2.96 7.01 -0.64 -1.87 115.95 124.40 2jgj h TRP 182 Ca 0.21 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.27 2jgj h TRP 182 Cb 0.09 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.90 2jgj h TRP 182 CO -0.00 0.38 0.26 0.28 -2.79 0.00 0.00 178.44 176.57 2jgj h VAL 183 N 0.70 0.97 -0.49 2.65 2.07 -1.04 -0.11 116.25 121.01 2jgj h VAL 183 Ca 0.23 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2jgj h VAL 183 Cb 0.02 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2jgj h VAL 183 CO -0.10 0.09 0.20 1.56 0.02 0.00 0.00 177.57 179.35 2jgj h GLN 184 N 0.51 0.38 0.00 1.57 1.08 -0.94 -0.42 115.11 117.29 2jgj h GLN 184 Ca 0.22 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 2jgj h GLN 184 Cb 0.11 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2jgj h GLN 184 CO -0.14 0.25 -0.21 0.93 -0.95 0.00 0.00 178.83 178.71 2jgj h GLU 185 N 0.40 0.00 0.00 1.46 5.08 -1.00 -3.40 114.58 117.12 2jgj h GLU 185 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2jgj h GLU 185 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2jgj h GLU 185 CO -0.21 0.21 -0.64 0.09 -1.00 0.00 0.00 179.01 177.46 2jgj n ASN 186 N -3.18 3.21 0.22 1.42 3.02 -0.09 -4.83 115.26 115.04 2jgj n ASN 186 Ca 0.03 -0.02 0.07 0.00 -0.03 0.00 0.00 54.58 54.63 2jgj n ASN 186 Cb 0.58 0.67 0.51 0.00 -0.61 0.00 0.00 39.78 40.93 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 0.93 -0.87 2.41 6.09 -1.24 -2.36 117.51 122.48 2jgj h ILE 187 Ca 0.00 -0.94 0.07 0.00 -1.37 0.00 0.00 64.86 62.62 2jgj h ILE 187 Cb 0.00 1.55 -0.06 0.00 0.47 0.00 0.00 36.82 38.78 2jgj h ILE 187 CO 0.00 0.25 0.56 0.00 -3.07 0.00 0.00 178.15 175.89 2jgj h ALA 188 N 1.75 1.58 -0.01 0.18 0.00 -1.80 -0.83 119.26 120.13 2jgj h ALA 188 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jgj h ALA 188 Cb 0.53 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jgj h ALA 188 CO 0.03 0.28 0.05 0.00 0.00 0.00 0.00 179.25 179.61 2jgj h ALA 189 N 1.54 1.14 -0.01 0.00 0.00 -1.73 0.80 119.26 121.00 2jgj h ALA 189 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2jgj h ALA 189 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jgj h ALA 189 CO -0.14 -0.06 -0.70 1.19 0.00 0.00 0.00 179.25 179.54 2jgj n PHE 190 N -3.17 0.00 -0.19 0.00 3.01 -0.46 -4.89 117.46 111.76 2jgj n PHE 190 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 2jgj n PHE 190 Cb 0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 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 1.46 0.65 3.75 1.37 0.00 0.27 -4.46 105.19 108.23 2jgj n GLY 191 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.34 2.05 -0.39 -0.02 0.00 -0.44 -1.21 107.32 105.97 2jgj s GLY 192 Ca 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 44.72 45.18 2jgj s GLY 192 CO 0.00 0.93 0.23 -0.35 0.00 0.00 0.00 173.10 173.90 2jgj s ASP 193 N -2.65 5.70 0.00 1.64 -1.08 0.10 -3.65 116.67 116.73 2jgj s ASP 193 Ca 0.67 -1.20 0.18 0.00 -0.52 0.00 0.00 52.55 51.69 2jgj s ASP 193 Cb -0.22 -2.01 0.91 0.00 -1.46 0.00 0.00 42.92 40.15 2jgj s ASP 193 CO 0.47 -0.45 1.55 -0.81 0.52 0.00 0.00 175.17 176.45 2jgj n PRO 194 N 4.97 0.25 -0.21 4.34 -0.04 -1.26 -2.17 135.00 140.88 2jgj n PRO 194 Ca -0.11 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2jgj n PRO 194 Cb 0.45 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.29 2.35 -3.18 0.54 2.81 -1.26 -4.43 117.12 112.65 2jgj n MET 195 Ca 0.08 -2.06 -0.20 0.00 -1.81 0.00 0.00 57.70 53.72 2jgj n MET 195 Cb 0.15 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.11 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 1.23 -1.35 -4.34 7.83 2.88 -0.92 -4.97 113.62 113.98 2jgj n SER 196 Ca 0.19 -2.58 -0.35 0.00 -1.33 0.00 0.00 58.87 54.80 2jgj n SER 196 Cb 0.53 0.16 -0.14 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.21 3.59 -0.20 2.46 1.01 -1.26 -1.10 120.40 125.12 2jgj s VAL 197 Ca 0.32 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 2jgj s VAL 197 Cb 0.05 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2jgj s VAL 197 CO -0.15 0.37 0.01 -0.89 0.00 0.00 0.00 175.10 174.44 2jgj s THR 198 N 1.50 4.06 0.10 3.92 2.01 -0.07 -0.85 115.64 126.31 2jgj s THR 198 Ca 0.06 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.57 2jgj s THR 198 Cb -0.15 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 2jgj s THR 198 CO -0.02 0.43 0.63 -0.76 -0.69 0.00 0.00 174.62 174.21 2jgj s LEU 199 N 0.94 4.54 0.03 4.42 1.43 -0.54 -0.85 118.68 128.65 2jgj s LEU 199 Ca 0.02 1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 54.44 2jgj s LEU 199 Cb -0.14 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 2jgj s LEU 199 CO 0.02 0.25 0.07 0.72 0.23 0.00 0.00 176.35 177.64 2jgj s PHE 200 N -1.14 0.23 -0.09 0.29 -0.71 -0.18 -0.46 117.98 115.91 2jgj s PHE 200 Ca 0.31 -0.53 -0.32 0.00 -1.04 0.00 0.00 56.93 55.35 2jgj s PHE 200 Cb -0.20 -0.16 0.12 0.00 -1.21 0.00 0.00 43.02 41.56 2jgj s PHE 200 CO 0.21 -0.33 1.08 0.20 -1.34 0.00 0.00 175.22 175.04 2jgj s GLY 201 N -2.04 -0.36 -0.33 1.99 0.00 -1.09 -1.79 107.32 103.69 2jgj s GLY 201 Ca -0.06 1.26 0.13 0.00 0.00 0.00 0.00 44.72 46.04 2jgj s GLY 201 CO -0.04 0.41 1.10 -2.21 0.00 0.00 0.00 173.10 172.36 2jgj n GLU 202 N -0.19 2.60 0.00 2.90 0.00 -1.23 -1.77 120.64 122.95 2jgj n GLU 202 Ca -0.04 -3.91 0.00 0.00 0.00 0.00 0.00 57.16 53.21 2jgj n GLU 202 Cb 0.60 -1.89 0.00 0.00 0.00 0.00 0.00 31.44 30.14 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 -0.49 0.00 -0.27 4.31 0.00 -1.26 -2.91 120.51 119.89 2jgj n ALA 204 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 2jgj n ALA 204 Cb 0.82 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.34 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 1.07 0.89 0.00 0.00 -1.69 0.50 103.07 103.83 2jgj h GLY 205 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2jgj h GLY 205 CO 0.00 0.37 0.03 0.00 0.00 0.00 0.00 176.54 176.95 2jgj h ALA 206 N 1.28 0.10 -0.54 3.60 0.00 -1.60 -0.85 119.26 121.24 2jgj h ALA 206 Ca 0.28 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2jgj h ALA 206 Cb -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2jgj h ALA 206 CO -0.07 -0.34 0.36 0.00 0.00 0.00 0.00 179.25 179.20 2jgj h ALA 207 N 0.90 1.72 -0.29 0.00 0.00 -1.67 1.00 119.26 120.92 2jgj h ALA 207 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jgj h ALA 207 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jgj h ALA 207 CO -0.00 0.23 0.08 0.77 0.00 0.00 0.00 179.25 180.33 2jgj h SER 208 N 0.63 0.42 -0.24 0.00 0.02 -0.77 0.53 113.55 114.15 2jgj h SER 208 Ca 0.21 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2jgj h SER 208 Cb 0.07 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 2jgj h SER 208 CO -0.06 0.53 -0.15 0.58 -1.14 0.00 0.00 176.83 176.59 2jgj h VAL 209 N 0.30 0.56 -0.95 2.27 2.07 0.19 -1.33 116.25 119.36 2jgj h VAL 209 Ca 0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.75 2jgj h VAL 209 Cb 0.26 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 2jgj h VAL 209 CO -0.00 0.00 0.56 1.23 0.02 0.00 0.00 177.57 179.38 2jgj h GLY 210 N -0.14 1.57 1.70 2.17 0.00 -0.60 -0.81 103.07 106.97 2jgj h GLY 210 Ca 0.13 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 2jgj h GLY 210 CO -0.32 0.06 -0.31 -0.33 0.00 0.00 0.00 176.54 175.64 2jgj h MET 211 N 0.83 0.35 -0.57 4.80 2.86 -0.07 -1.19 114.93 121.95 2jgj h MET 211 Ca 0.50 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.91 2jgj h MET 211 Cb 0.61 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2jgj h MET 211 CO -0.31 0.63 -0.00 0.45 1.06 0.00 0.00 176.91 178.73 2jgj h HIS 212 N 0.30 1.07 -0.97 -0.22 3.86 -0.15 -0.01 115.15 119.04 2jgj h HIS 212 Ca 0.04 -0.18 0.11 0.00 -1.16 0.00 0.00 60.37 59.18 2jgj h HIS 212 Cb 0.70 -0.28 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 2jgj h HIS 212 CO 0.02 0.96 0.60 0.82 0.86 0.00 0.00 177.93 181.18 2jgj h ILE 213 N 0.91 0.93 -0.28 2.45 2.04 -0.72 -2.90 117.51 119.93 2jgj h ILE 213 Ca 0.16 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2jgj h ILE 213 Cb 0.53 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2jgj h ILE 213 CO 0.03 0.18 0.00 0.18 0.00 0.00 0.00 178.15 178.53 2jgj n LEU 214 N -4.64 2.36 -4.06 1.44 4.77 -0.49 -4.79 117.00 111.58 2jgj n LEU 214 Ca 0.18 -1.03 -0.32 0.00 -0.03 0.00 0.00 56.01 54.81 2jgj n LEU 214 Cb 0.33 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.07 2jgj n LEU 214 CO 0.27 0.51 -0.50 -0.55 -1.33 0.00 0.00 177.39 175.80 2jgj s SER 215 N -1.45 3.07 0.16 -1.43 0.15 -0.10 -4.76 113.70 109.34 2jgj s SER 215 Ca 0.34 -0.66 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 2jgj s SER 215 Cb 0.19 -1.34 0.04 0.00 -1.71 0.00 0.00 66.02 63.19 2jgj s SER 215 CO 0.27 -0.05 1.83 0.25 1.20 0.00 0.00 173.24 176.74 2jgj h LEU 216 N 7.98 0.52 -2.43 3.45 5.85 -1.85 -1.75 115.31 127.09 2jgj h LEU 216 Ca -0.39 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.33 2jgj h LEU 216 Cb 1.13 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2jgj h LEU 216 CO 0.57 0.38 0.16 -0.65 -0.34 0.00 0.00 178.44 178.56 2jgj h PRO 217 N 0.62 0.00 0.00 5.25 0.11 -1.95 -0.59 132.00 135.44 2jgj h PRO 217 Ca 0.17 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.12 2jgj h PRO 217 Cb -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 2jgj h PRO 217 CO -0.04 0.00 -0.77 0.77 -0.21 0.00 0.00 178.00 177.75 2jgj h SER 218 N 0.00 0.00 0.14 -2.05 0.02 -1.57 -3.38 113.55 106.70 2jgj h SER 218 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2jgj h SER 218 Cb 0.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 2jgj h SER 218 CO -0.00 0.73 -0.04 0.03 -1.14 0.00 0.00 176.83 176.40 2jgj h ARG 219 N 0.00 0.00 -0.44 3.45 2.47 -1.00 0.76 114.38 119.61 2jgj h ARG 219 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2jgj h ARG 219 Cb 1.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.89 2jgj h ARG 219 CO 0.09 0.04 0.00 -1.13 0.56 0.00 0.00 179.97 179.53 2jgj n SER 220 N -3.72 2.03 -0.10 7.04 3.41 -1.26 -3.94 113.62 117.08 2jgj n SER 220 Ca -0.03 -2.10 0.05 0.00 -0.26 0.00 0.00 58.87 56.54 2jgj n SER 220 Cb 0.14 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.39 0.79 -4.04 1.04 4.77 0.26 -5.04 117.00 115.17 2jgj n LEU 221 Ca 0.11 -0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 55.36 2jgj n LEU 221 Cb 0.36 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 2jgj n LEU 221 CO 0.09 0.17 0.16 0.72 -1.33 0.00 0.00 177.39 177.20 2jgj s PHE 222 N -1.75 0.75 0.00 -1.77 -0.71 -1.25 -4.87 117.98 108.39 2jgj s PHE 222 Ca 0.06 -1.07 0.00 0.00 -1.04 0.00 0.00 56.93 54.88 2jgj s PHE 222 Cb 0.08 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 2jgj s PHE 222 CO 0.36 -1.09 0.00 0.72 -1.34 0.00 0.00 175.22 173.86 2jgj n HIS 223 N -0.48 0.00 -4.08 3.49 8.25 -0.03 -4.94 115.22 117.42 2jgj n HIS 223 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 2jgj n HIS 223 Cb 0.62 0.00 -0.10 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 -1.46 0.60 -0.02 -0.41 0.52 -1.15 -4.25 118.95 112.79 2jgj s ARG 224 Ca 0.00 -1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 2jgj s ARG 224 Cb 0.00 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.68 2jgj s ARG 224 CO 0.00 -0.11 0.08 0.00 0.02 0.00 0.00 175.30 175.29 2jgj s ALA 225 N -3.85 -0.20 -0.09 2.13 0.00 -0.97 -1.47 121.76 117.32 2jgj s ALA 225 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2jgj s ALA 225 Cb 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2jgj s ALA 225 CO -0.10 -0.11 -0.16 0.08 0.00 0.00 0.00 175.76 175.47 2jgj s VAL 226 N -0.62 1.46 -0.26 0.00 1.01 0.39 -1.83 120.40 120.55 2jgj s VAL 226 Ca -0.07 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2jgj s VAL 226 Cb -0.04 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 35.09 2jgj s VAL 226 CO 0.00 0.43 -0.07 -0.76 0.00 0.00 0.00 175.10 174.70 2jgj s LEU 227 N 0.69 3.28 -0.28 3.92 1.02 0.64 -2.67 118.68 125.28 2jgj s LEU 227 Ca -0.13 -1.41 -0.09 0.00 0.02 0.00 0.00 54.13 52.52 2jgj s LEU 227 Cb -0.16 -1.43 -0.02 0.00 0.02 0.00 0.00 46.19 44.59 2jgj s LEU 227 CO 0.03 -0.22 0.12 -1.10 0.02 0.00 0.00 176.35 175.20 2jgj s GLN 228 N 1.18 3.56 -1.45 1.70 -0.21 -0.73 -2.01 119.66 121.69 2jgj s GLN 228 Ca -0.06 -0.56 -0.11 0.00 0.02 0.00 0.00 55.36 54.65 2jgj s GLN 228 Cb -0.20 -3.48 0.07 0.00 1.00 0.00 0.00 33.01 30.41 2jgj s GLN 228 CO -0.06 -0.29 0.74 0.43 -2.12 0.00 0.00 175.29 173.99 2jgj n SER 229 N 4.97 -4.62 -3.59 5.90 7.64 0.72 -4.22 113.62 120.41 2jgj n SER 229 Ca -0.15 -0.56 -0.05 0.00 1.01 0.00 0.00 58.87 59.12 2jgj n SER 229 Cb 0.50 -3.74 -0.02 0.00 -1.01 0.00 0.00 64.21 59.94 2jgj n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jgj s GLY 230 N -2.99 -0.26 0.02 0.23 0.00 -1.26 -4.80 107.32 98.26 2jgj s GLY 230 Ca 0.51 1.73 -0.16 0.00 0.00 0.00 0.00 44.72 46.81 2jgj s GLY 230 CO 0.63 0.62 0.34 -0.51 0.00 0.00 0.00 173.10 174.18 2jgj s THR 231 N -2.21 0.07 0.25 0.90 -4.23 -1.26 -4.24 115.64 104.91 2jgj s THR 231 Ca 0.08 -0.55 0.14 0.00 -1.18 0.00 0.00 61.69 60.19 2jgj s THR 231 Cb -0.01 -0.84 0.05 0.00 1.34 0.00 0.00 72.50 73.05 2jgj s THR 231 CO -0.05 -0.30 1.69 1.55 -0.54 0.00 0.00 174.62 176.97 2jgj h PRO 232 N 3.38 0.00 -7.56 3.99 0.13 -1.83 -3.39 132.00 126.72 2jgj h PRO 232 Ca -0.31 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.36 2jgj h PRO 232 Cb 1.19 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.42 2jgj h PRO 232 CO 0.43 0.49 0.38 0.54 -0.23 0.00 0.00 178.00 179.61 2jgj s ASN 233 N -6.69 4.55 0.00 1.44 4.22 -1.26 -4.57 114.94 112.63 2jgj s ASN 233 Ca -0.01 0.72 0.00 0.00 -2.14 0.00 0.00 52.86 51.43 2jgj s ASN 233 Cb 0.12 -1.23 0.00 0.00 1.28 0.00 0.00 41.25 41.42 2jgj s ASN 233 CO 0.73 -1.86 0.00 0.61 -2.04 0.00 0.00 177.10 174.54 2jgj n GLY 234 N -3.25 0.64 0.13 0.45 0.00 -1.26 -4.73 105.19 97.18 2jgj n GLY 234 Ca 0.08 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 44.05 2jgj n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jgj h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.37 132.00 128.49 2jgj h PRO 235 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jgj h PRO 235 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jgj h PRO 235 CO 0.00 0.00 -0.87 -2.67 -0.23 0.00 0.00 178.00 174.23 2jgj n TRP 236 N -2.45 0.00 0.26 1.56 4.27 -1.26 -4.76 117.44 115.05 2jgj n TRP 236 Ca 0.05 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.78 2jgj n TRP 236 Cb 0.44 -0.07 0.14 0.00 -1.36 0.00 0.00 31.31 30.46 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 0.47 0.80 -2.34 -1.67 0.00 -1.85 -3.43 119.26 111.24 2jgj h ALA 237 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2jgj h ALA 237 Cb 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 2jgj h ALA 237 CO 0.00 0.00 -0.69 0.95 0.00 0.00 0.00 179.25 179.51 2jgj s THR 238 N -3.24 0.47 0.23 0.00 -4.23 -1.26 -3.82 115.64 103.79 2jgj s THR 238 Ca 0.05 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 2jgj s THR 238 Cb 0.08 -1.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.40 2jgj s THR 238 CO 0.71 -0.87 -0.02 0.68 -0.54 0.00 0.00 174.62 174.57 2jgj s VAL 239 N -3.47 1.17 0.78 2.29 -7.23 -0.75 -5.00 120.40 108.20 2jgj s VAL 239 Ca 0.07 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.07 2jgj s VAL 239 Cb 0.04 -2.32 0.06 0.00 0.56 0.00 0.00 36.38 34.73 2jgj s VAL 239 CO -0.06 -0.36 1.14 -0.94 -0.31 0.00 0.00 175.10 174.57 2jgj s SER 240 N -3.32 4.77 0.13 4.85 1.04 -1.26 -0.93 113.70 118.97 2jgj s SER 240 Ca 0.28 0.97 -0.23 0.00 0.48 0.00 0.00 55.95 57.45 2jgj s SER 240 Cb 0.05 -1.61 -0.02 0.00 0.10 0.00 0.00 66.02 64.54 2jgj s SER 240 CO 0.09 -1.76 1.65 0.00 0.98 0.00 0.00 173.24 174.20 2jgj h ALA 241 N -0.95 -0.17 -0.96 5.32 0.00 -1.94 -1.78 119.26 118.78 2jgj h ALA 241 Ca -0.46 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2jgj h ALA 241 Cb 1.30 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 2jgj h ALA 241 CO 0.64 -0.66 0.63 0.78 0.00 0.00 0.00 179.25 180.64 2jgj h GLY 242 N -0.27 1.40 2.00 0.00 0.00 -1.94 -0.96 103.07 103.31 2jgj h GLY 242 Ca 0.09 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 2jgj h GLY 242 CO -0.27 0.39 -0.69 -2.09 0.00 0.00 0.00 176.54 173.89 2jgj h GLU 243 N 1.19 0.00 -0.04 4.80 4.57 -1.90 -2.22 114.58 120.98 2jgj h GLU 243 Ca 0.39 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 2jgj h GLU 243 Cb 0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2jgj h GLU 243 CO -0.13 0.69 -0.04 0.00 -1.18 0.00 0.00 179.01 178.36 2jgj h ALA 244 N 1.31 0.06 -0.72 2.92 0.00 -0.93 -2.39 119.26 119.51 2jgj h ALA 244 Ca -0.01 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.78 2jgj h ALA 244 Cb 1.46 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2jgj h ALA 244 CO 0.09 -0.17 0.24 -0.09 0.00 0.00 0.00 179.25 179.32 2jgj h ARG 245 N -0.35 0.35 -0.11 0.00 2.43 -1.20 -1.64 114.38 113.87 2jgj h ARG 245 Ca 0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2jgj h ARG 245 Cb 0.52 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2jgj h ARG 245 CO 0.01 0.23 0.04 -0.09 -1.51 0.00 0.00 179.97 178.65 2jgj h ARG 246 N 0.36 0.16 -0.37 0.20 2.43 -1.39 -1.65 114.38 114.13 2jgj h ARG 246 Ca 0.40 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.47 2jgj h ARG 246 Cb 0.62 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2jgj h ARG 246 CO -0.43 0.28 -0.07 0.00 -1.51 0.00 0.00 179.97 178.24 2jgj h ARG 247 N 0.01 0.61 0.06 0.20 3.08 -0.94 -0.66 114.38 116.74 2jgj h ARG 247 Ca 0.04 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2jgj h ARG 247 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2jgj h ARG 247 CO -0.00 0.68 -0.03 0.00 -1.07 0.00 0.00 179.97 179.55 2jgj h ALA 248 N 1.36 -0.08 -0.99 0.04 0.00 -1.24 -0.73 119.26 117.62 2jgj h ALA 248 Ca 0.11 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 54.96 2jgj h ALA 248 Cb 0.46 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 2jgj h ALA 248 CO 0.02 -0.31 0.60 1.15 0.00 0.00 0.00 179.25 180.72 2jgj h THR 249 N -0.55 0.77 -0.18 0.00 2.02 -1.22 0.39 112.91 114.13 2jgj h THR 249 Ca -0.01 -0.28 -0.19 0.00 0.77 0.00 0.00 66.41 66.70 2jgj h THR 249 Cb 0.48 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2jgj h THR 249 CO 0.01 0.15 -0.66 0.25 0.37 0.00 0.00 175.52 175.64 2jgj h LEU 250 N 0.82 0.80 -0.77 2.58 5.85 -1.03 -1.71 115.31 121.85 2jgj h LEU 250 Ca 0.54 -0.48 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 2jgj h LEU 250 Cb 0.76 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2jgj h LEU 250 CO -0.35 1.25 -0.21 0.25 -0.34 0.00 0.00 178.44 179.04 2jgj h LEU 251 N 0.50 0.71 -0.18 2.25 5.85 -0.45 -1.80 115.31 122.20 2jgj h LEU 251 Ca -0.02 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2jgj h LEU 251 Cb 1.26 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2jgj h LEU 251 CO 0.13 0.91 0.02 0.00 -0.34 0.00 0.00 178.44 179.17 2jgj h ALA 252 N 1.14 0.24 -0.68 1.25 0.00 -0.87 -2.21 119.26 118.13 2jgj h ALA 252 Ca 0.09 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.93 2jgj h ALA 252 Cb 0.70 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2jgj h ALA 252 CO 0.05 -0.09 0.29 -0.09 0.00 0.00 0.00 179.25 179.41 2jgj h ARG 253 N 0.08 0.46 0.00 0.00 2.43 -1.21 0.15 114.38 116.29 2jgj h ARG 253 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2jgj h ARG 253 Cb 0.32 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2jgj h ARG 253 CO 0.00 0.31 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.61 2jgj h LEU 254 N 0.48 0.00 -2.92 3.80 3.38 -1.06 -1.97 115.31 117.01 2jgj h LEU 254 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2jgj h LEU 254 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jgj h LEU 254 CO -0.32 0.09 0.00 1.33 0.09 0.00 0.00 178.44 179.63 2jgj n VAL 255 N -3.43 1.18 -2.03 1.22 0.24 -0.56 -5.02 118.33 109.92 2jgj n VAL 255 Ca -0.01 -1.11 -0.05 0.00 -2.04 0.00 0.00 64.34 61.13 2jgj n VAL 255 Cb 0.24 0.40 0.02 0.00 -1.47 0.00 0.00 33.84 33.03 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 0.55 0.29 0.00 7.63 0.00 0.41 -5.04 105.19 109.03 2jgj n GLY 256 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -1.14 0.12 0.00 2.85 -1.26 -4.33 115.26 111.50 2jgj n ASN 265 Ca 0.00 1.08 -0.13 0.00 -0.11 0.00 0.00 54.58 55.42 2jgj n ASN 265 Cb 0.00 -1.95 -0.07 0.00 1.24 0.00 0.00 39.78 39.00 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 3.65 -0.29 -0.71 1.20 3.32 -2.01 -2.56 116.42 119.02 2jgj h ASP 266 Ca 0.00 0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.23 2jgj h ASP 266 Cb 0.00 0.09 -0.12 0.00 0.22 0.00 0.00 39.33 39.52 2jgj h ASP 266 CO 0.00 -0.18 0.03 0.74 -1.72 0.00 0.00 179.24 178.12 2jgj h THR 267 N -0.26 0.41 -0.45 0.35 2.02 -2.01 -0.58 112.91 112.40 2jgj h THR 267 Ca -0.01 -0.05 -0.13 0.00 0.77 0.00 0.00 66.41 67.00 2jgj h THR 267 Cb 0.24 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2jgj h THR 267 CO -0.01 0.02 -0.22 -0.33 0.37 0.00 0.00 175.52 175.36 2jgj h GLU 268 N 0.13 0.91 -0.10 6.66 5.08 -1.98 -1.17 114.58 124.12 2jgj h GLU 268 Ca 0.39 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jgj h GLU 268 Cb 0.66 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2jgj h GLU 268 CO -0.60 1.03 0.05 1.25 -1.00 0.00 0.00 179.01 179.75 2jgj h LEU 269 N 0.79 0.12 -0.50 1.33 5.85 -0.75 -2.58 115.31 119.57 2jgj h LEU 269 Ca 0.10 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2jgj h LEU 269 Cb 0.77 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2jgj h LEU 269 CO 0.06 0.15 -0.22 0.40 -0.34 0.00 0.00 178.44 178.49 2jgj h ILE 270 N 0.07 1.27 -0.82 4.05 2.04 -1.09 -2.08 117.51 120.96 2jgj h ILE 270 Ca 0.03 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.56 2jgj h ILE 270 Cb 0.06 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 2jgj h ILE 270 CO -0.01 0.48 0.50 0.00 0.00 0.00 0.00 178.15 179.13 2jgj h ALA 271 N 0.88 1.11 -0.51 1.87 0.00 -1.16 0.77 119.26 122.21 2jgj h ALA 271 Ca 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2jgj h ALA 271 Cb 0.80 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jgj h ALA 271 CO 0.07 0.25 -0.13 0.00 0.00 0.00 0.00 179.25 179.43 2jgj h LEU 273 N 0.87 0.98 -2.10 0.00 3.38 -0.65 -2.31 115.31 115.48 2jgj h LEU 273 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2jgj h LEU 273 Cb 0.69 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jgj h LEU 273 CO 0.05 0.69 -0.08 0.03 0.09 0.00 0.00 178.44 179.23 2jgj h ARG 274 N 1.15 0.00 0.00 1.13 3.08 -0.60 -2.24 114.38 116.89 2jgj h ARG 274 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2jgj h ARG 274 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2jgj h ARG 274 CO -0.09 0.08 0.00 0.25 -1.07 0.00 0.00 179.97 179.14 2jgj n THR 275 N -3.62 0.44 -2.98 2.04 -2.24 -0.87 -4.84 114.28 102.21 2jgj n THR 275 Ca -0.02 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 2jgj n THR 275 Cb 0.19 -0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 2jgj n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jgj s ARG 276 N -3.08 4.46 0.45 -0.78 1.81 -0.85 -5.03 118.95 115.94 2jgj s ARG 276 Ca 0.11 0.99 -0.21 0.00 -1.72 0.00 0.00 55.73 54.91 2jgj s ARG 276 Cb 0.14 -3.44 -0.13 0.00 -0.45 0.00 0.00 34.95 31.06 2jgj s ARG 276 CO 0.56 0.06 0.27 -2.30 -0.68 0.00 0.00 175.30 173.21 2jgj n PRO 277 N 3.73 0.27 -0.12 3.54 -0.02 -1.26 -4.90 135.00 136.24 2jgj n PRO 277 Ca -0.00 0.10 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2jgj n PRO 277 Cb 0.51 -1.28 0.03 0.00 -0.02 0.00 0.00 33.50 32.74 2jgj n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jgj h ALA 278 N 0.41 0.45 0.00 3.55 0.00 -1.97 -2.67 119.26 119.03 2jgj h ALA 278 Ca -0.40 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2jgj h ALA 278 Cb 1.42 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jgj h ALA 278 CO 0.48 -0.29 -0.12 0.37 0.00 0.00 0.00 179.25 179.68 2jgj h GLN 279 N 0.24 0.00 -0.67 0.00 5.75 -1.99 -2.51 115.11 115.93 2jgj h GLN 279 Ca 0.19 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2jgj h GLN 279 Cb 0.20 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 2jgj h GLN 279 CO -0.22 0.12 0.33 -0.44 -2.65 0.00 0.00 178.83 175.97 2jgj h ASP 280 N 0.00 0.87 -0.46 -0.69 5.19 -1.83 0.71 116.42 120.22 2jgj h ASP 280 Ca -0.00 -0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.15 2jgj h ASP 280 Cb 0.29 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2jgj h ASP 280 CO 0.02 0.76 -0.23 -0.07 -3.12 0.00 0.00 179.24 176.60 2jgj h LEU 281 N 0.93 0.99 -0.67 1.55 3.38 -1.52 -3.14 115.31 116.83 2jgj h LEU 281 Ca 0.23 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2jgj h LEU 281 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2jgj h LEU 281 CO -0.03 1.18 -0.13 0.58 0.09 0.00 0.00 178.44 180.12 2jgj h VAL 282 N 0.80 1.27 -0.90 1.22 2.07 -1.36 -2.78 116.25 116.58 2jgj h VAL 282 Ca 0.10 -1.25 0.23 0.00 0.82 0.00 0.00 66.70 66.60 2jgj h VAL 282 Cb 0.81 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 2jgj h VAL 282 CO 0.07 0.43 0.61 0.44 0.02 0.00 0.00 177.57 179.14 2jgj h ASP 283 N 0.80 0.25 -0.19 0.57 3.32 -0.80 -2.19 116.42 118.17 2jgj h ASP 283 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jgj h ASP 283 Cb 0.66 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2jgj h ASP 283 CO 0.05 0.09 0.00 1.41 -1.72 0.00 0.00 179.24 179.07 2jgj n HIS 284 N -4.43 0.49 -0.13 4.55 8.25 -1.12 -4.67 115.22 118.17 2jgj n HIS 284 Ca 0.19 -0.74 -0.08 0.00 -0.26 0.00 0.00 57.72 56.83 2jgj n HIS 284 Cb 0.81 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.75 2jgj n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2jgj h GLU 285 N 1.24 0.54 -0.00 -0.41 4.81 -1.12 -2.91 114.58 116.73 2jgj h GLU 285 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jgj h GLU 285 Cb 1.03 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2jgj h GLU 285 CO 0.09 0.36 -0.00 0.91 -0.73 0.00 0.00 179.01 179.63 2jgj n TRP 286 N -4.80 0.00 0.69 0.92 7.02 -1.26 -3.79 117.44 116.22 2jgj n TRP 286 Ca 0.01 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.57 2jgj n TRP 286 Cb 0.03 -0.10 0.25 0.00 -2.42 0.00 0.00 31.31 29.06 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 -1.06 0.50 0.53 -5.99 8.25 -1.10 -4.28 115.22 112.07 2jgj n HIS 287 Ca 0.20 -0.25 0.06 0.00 -0.26 0.00 0.00 57.72 57.47 2jgj n HIS 287 Cb 0.17 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.30 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 0.78 0.00 -2.32 1.59 0.24 -1.25 -5.00 118.33 112.38 2jgj n VAL 288 Ca 0.16 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.34 61.62 2jgj n VAL 288 Cb 0.40 1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.93 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 -1.45 4.45 0.52 1.34 1.43 -1.26 -4.82 118.68 118.89 2jgj s LEU 289 Ca 0.12 2.33 0.34 0.00 -1.03 0.00 0.00 54.13 55.89 2jgj s LEU 289 Cb 0.10 -3.61 1.48 0.00 0.03 0.00 0.00 46.19 44.18 2jgj s LEU 289 CO 0.24 -0.40 2.00 1.55 0.23 0.00 0.00 176.35 179.97 2jgj h PRO 290 N 4.90 0.00 -4.05 1.29 0.13 -1.98 -3.44 132.00 128.84 2jgj h PRO 290 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 2jgj h PRO 290 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 2jgj h PRO 290 CO 0.73 0.00 -0.52 -0.65 -0.23 0.00 0.00 178.00 177.33 2jgj s GLN 291 N -3.69 0.78 -0.10 0.86 1.11 -1.26 -5.12 119.66 112.25 2jgj s GLN 291 Ca 0.01 -1.13 -0.29 0.00 0.01 0.00 0.00 55.36 53.95 2jgj s GLN 291 Cb 0.10 0.28 -0.06 0.00 -1.01 0.00 0.00 33.01 32.32 2jgj s GLN 291 CO 0.49 -0.21 1.79 -2.00 0.01 0.00 0.00 175.29 175.36 2jgj s GLU 292 N -3.91 3.94 0.19 2.91 2.12 -1.26 -4.96 118.70 117.72 2jgj s GLU 292 Ca 0.09 2.13 -0.07 0.00 0.36 0.00 0.00 54.97 57.48 2jgj s GLU 292 Cb 0.06 -4.09 -0.02 0.00 0.26 0.00 0.00 34.13 30.34 2jgj s GLU 292 CO -0.09 -1.15 0.26 -1.54 -0.54 0.00 0.00 175.26 172.21 2jgj s SER 293 N 4.45 0.07 0.29 -1.70 1.04 -1.26 -4.59 113.70 112.01 2jgj s SER 293 Ca 0.80 -1.04 0.09 0.00 0.48 0.00 0.00 55.95 56.28 2jgj s SER 293 Cb -0.33 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.17 2jgj s SER 293 CO 0.33 -0.91 -0.13 0.27 0.98 0.00 0.00 173.24 173.78 2jgj s ILE 294 N -4.03 2.13 -1.49 -1.02 -4.36 -1.12 -4.79 121.20 106.51 2jgj s ILE 294 Ca 0.24 -2.25 -0.13 0.00 -0.26 0.00 0.00 60.65 58.25 2jgj s ILE 294 Cb 0.04 -2.43 0.09 0.00 1.25 0.00 0.00 42.46 41.41 2jgj s ILE 294 CO 0.05 -0.33 0.77 0.33 0.24 0.00 0.00 174.94 176.00 2jgj n PHE 295 N -0.65 -2.02 -4.22 1.37 -0.00 -1.26 -4.84 117.46 105.85 2jgj n PHE 295 Ca -0.05 0.73 -0.18 0.00 -0.00 0.00 0.00 57.45 57.95 2jgj n PHE 295 Cb 0.62 -3.49 -0.15 0.00 -0.00 0.00 0.00 39.48 36.46 2jgj n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2jgj s ARG 296 N -6.44 0.61 -0.02 -4.13 6.06 -1.26 -4.73 118.95 109.05 2jgj s ARG 296 Ca 0.58 -0.20 0.04 0.00 -2.50 0.00 0.00 55.73 53.65 2jgj s ARG 296 Cb -0.30 -0.60 -0.01 0.00 0.06 0.00 0.00 34.95 34.10 2jgj s ARG 296 CO 0.71 0.08 -0.14 -0.06 -2.50 0.00 0.00 175.30 173.39 2jgj s PHE 297 N 0.14 1.34 0.08 5.12 0.08 -1.26 -5.04 117.98 118.44 2jgj s PHE 297 Ca -0.01 -0.28 -0.20 0.00 0.12 0.00 0.00 56.93 56.55 2jgj s PHE 297 Cb -0.06 -0.88 -0.10 0.00 -0.57 0.00 0.00 43.02 41.41 2jgj s PHE 297 CO -0.00 -0.05 1.57 0.77 -0.10 0.00 0.00 175.22 177.40 2jgj h SER 298 N 5.92 0.30 -3.64 1.36 0.02 -1.90 -3.42 113.55 112.19 2jgj h SER 298 Ca -0.34 -0.24 -0.62 0.00 -0.84 0.00 0.00 61.79 59.75 2jgj h SER 298 Cb 1.16 -0.08 -0.38 0.00 0.14 0.00 0.00 62.40 63.24 2jgj h SER 298 CO 0.49 0.46 -0.78 -0.36 -1.14 0.00 0.00 176.83 175.49 2jgj s PHE 299 N -5.27 2.52 0.16 3.45 0.08 -1.26 -5.01 117.98 112.65 2jgj s PHE 299 Ca -0.14 -1.88 -0.02 0.00 0.12 0.00 0.00 56.93 55.01 2jgj s PHE 299 Cb 0.07 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 2jgj s PHE 299 CO 0.72 -0.80 0.13 0.14 -0.10 0.00 0.00 175.22 175.31 2jgj s VAL 300 N 1.35 0.06 0.41 -0.44 -7.23 -1.26 -4.44 120.40 108.85 2jgj s VAL 300 Ca -0.04 -1.86 -0.24 0.00 -1.81 0.00 0.00 61.98 58.03 2jgj s VAL 300 Cb -0.19 -2.19 -0.11 0.00 0.56 0.00 0.00 36.38 34.45 2jgj s VAL 300 CO -0.07 -0.26 0.85 -2.65 -0.31 0.00 0.00 175.10 172.66 2jgj n PRO 301 N -0.18 1.05 -4.99 4.82 -0.02 -1.25 -4.70 135.00 129.73 2jgj n PRO 301 Ca -0.03 0.38 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 2jgj n PRO 301 Cb 0.64 -1.84 -0.14 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.32 2.80 -0.58 -1.45 0.11 -1.26 -1.80 120.40 116.89 2jgj s VAL 302 Ca 0.63 -0.84 -0.27 0.00 -2.93 0.00 0.00 61.98 58.57 2jgj s VAL 302 Cb -0.59 -2.07 -0.01 0.00 -1.53 0.00 0.00 36.38 32.19 2jgj s VAL 302 CO 0.57 0.58 1.66 -0.69 -3.33 0.00 0.00 175.10 173.89 2jgj s VAL 303 N -0.71 3.53 -0.57 2.04 1.01 -0.11 -4.68 120.40 120.91 2jgj s VAL 303 Ca 0.11 0.39 0.15 0.00 0.00 0.00 0.00 61.98 62.64 2jgj s VAL 303 Cb -0.10 -4.16 -0.19 0.00 0.00 0.00 0.00 36.38 31.93 2jgj s VAL 303 CO 0.00 -1.03 0.59 -0.90 0.00 0.00 0.00 175.10 173.76 2jgj n ASP 304 N 11.17 0.87 0.00 3.32 5.75 -1.23 -3.55 116.55 132.88 2jgj n ASP 304 Ca 0.16 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.28 2jgj n ASP 304 Cb 0.50 1.16 0.00 0.00 -1.03 0.00 0.00 41.12 41.76 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 1.42 0.78 0.00 6.12 0.00 -0.19 -4.89 105.19 108.42 2jgj n GLY 305 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 0.00 0.03 1.61 2.03 -1.26 -4.46 116.55 114.47 2jgj n ASP 306 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 2jgj n ASP 306 Cb 0.01 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 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 -0.26 -3.40 -0.67 3.04 -1.92 -3.33 116.94 110.41 2jgj h PHE 307 Ca 0.00 0.01 -0.73 0.00 3.98 0.00 0.00 57.97 61.24 2jgj h PHE 307 Cb 0.00 0.12 -0.25 0.00 2.56 0.00 0.00 35.95 38.39 2jgj h PHE 307 CO 0.00 -0.16 -0.41 -0.51 -2.02 0.00 0.00 178.31 175.22 2jgj s LEU 308 N -10.33 5.34 0.41 0.59 1.43 -1.26 -4.54 118.68 110.31 2jgj s LEU 308 Ca -0.14 -1.36 0.14 0.00 -1.03 0.00 0.00 54.13 51.74 2jgj s LEU 308 Cb 0.09 -2.09 0.88 0.00 0.03 0.00 0.00 46.19 45.09 2jgj s LEU 308 CO 0.67 -0.57 1.91 0.77 0.23 0.00 0.00 176.35 179.35 2jgj h SER 309 N 8.58 0.00 -2.00 2.29 4.64 -1.78 -0.49 113.55 124.79 2jgj h SER 309 Ca -0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2jgj h SER 309 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2jgj h SER 309 CO 0.81 0.28 -0.02 -0.67 -0.87 0.00 0.00 176.83 176.35 2jgj n ASP 310 N -4.16 -0.06 -4.75 4.97 -0.08 -1.26 -4.39 116.55 106.82 2jgj n ASP 310 Ca -0.02 -1.13 -0.35 0.00 -1.51 0.00 0.00 54.79 51.78 2jgj n ASP 310 Cb 0.33 0.13 0.06 0.00 2.34 0.00 0.00 41.12 43.97 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 -2.23 2.68 0.30 5.18 -4.23 -1.26 -4.84 115.64 111.24 2jgj s THR 311 Ca 0.02 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.93 2jgj s THR 311 Cb 0.00 -2.99 0.29 0.00 1.34 0.00 0.00 72.50 71.14 2jgj s THR 311 CO 0.02 -0.15 1.85 -0.65 -0.54 0.00 0.00 174.62 175.15 2jgj h PRO 312 N 0.28 0.88 -0.09 3.99 0.11 -1.99 -1.14 132.00 134.05 2jgj h PRO 312 Ca -0.49 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.61 2jgj h PRO 312 Cb 1.28 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 2jgj h PRO 312 CO 0.53 0.58 -0.29 0.93 -0.21 0.00 0.00 178.00 179.54 2jgj h GLU 313 N 0.91 -0.37 -0.31 1.05 3.07 -1.91 0.10 114.58 117.13 2jgj h GLU 313 Ca 0.48 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.38 2jgj h GLU 313 Cb 0.54 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 2jgj h GLU 313 CO -0.24 -0.25 0.16 0.00 -1.40 0.00 0.00 179.01 177.28 2jgj h ALA 314 N 0.45 0.38 -0.59 3.43 0.00 -1.75 -2.36 119.26 118.81 2jgj h ALA 314 Ca 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2jgj h ALA 314 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2jgj h ALA 314 CO -0.31 -0.22 0.17 -0.07 0.00 0.00 0.00 179.25 178.83 2jgj h LEU 315 N 0.33 0.83 -0.03 0.00 3.38 -0.73 -2.17 115.31 116.93 2jgj h LEU 315 Ca 0.13 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 2jgj h LEU 315 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2jgj h LEU 315 CO -0.08 0.79 -0.94 0.16 0.09 0.00 0.00 178.44 178.46 2jgj h ILE 316 N 0.87 1.64 -0.47 1.22 3.07 -0.94 -0.79 117.51 122.10 2jgj h ILE 316 Ca 0.19 -3.28 -0.06 0.00 1.55 0.00 0.00 64.86 63.27 2jgj h ILE 316 Cb 0.27 2.79 -0.02 0.00 -0.27 0.00 0.00 36.82 39.58 2jgj h ILE 316 CO -0.01 0.92 0.06 0.78 -1.05 0.00 0.00 178.15 178.86 2jgj h ASN 317 N 0.00 0.70 -0.00 2.16 -0.26 -1.05 -3.33 115.58 113.79 2jgj h ASN 317 Ca -0.01 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 2jgj h ASN 317 Cb 1.71 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 38.79 2jgj h ASN 317 CO 0.12 0.74 -0.26 0.35 -1.06 0.00 0.00 177.43 177.32 2jgj n THR 318 N -4.26 0.00 -1.11 2.81 -2.24 -0.85 -5.04 114.28 103.59 2jgj n THR 318 Ca 0.03 -0.37 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 2jgj n THR 318 Cb 0.25 1.06 0.12 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.43 1.66 -0.21 3.38 0.00 -0.30 -5.04 107.32 105.37 2jgj s GLY 319 Ca 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.02 2jgj s GLY 319 CO 0.26 0.66 -0.09 -0.35 0.00 0.00 0.00 173.10 173.58 2jgj s ASP 320 N -3.22 3.95 -0.31 1.64 2.15 -1.26 -4.91 116.67 114.70 2jgj s ASP 320 Ca 0.63 -0.54 0.08 0.00 0.43 0.00 0.00 52.55 53.15 2jgj s ASP 320 Cb -0.19 -1.65 0.46 0.00 -0.30 0.00 0.00 42.92 41.24 2jgj s ASP 320 CO 0.57 -0.03 1.17 0.49 -0.17 0.00 0.00 175.17 177.19 2jgj n PHE 321 N 4.72 2.69 -0.06 -5.34 3.72 -0.72 -4.88 117.46 117.60 2jgj n PHE 321 Ca -0.19 -2.37 -0.13 0.00 -0.05 0.00 0.00 57.45 54.72 2jgj n PHE 321 Cb 0.50 -0.29 -0.07 0.00 -0.94 0.00 0.00 39.48 38.69 2jgj n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2jgj h GLN 322 N 2.30 0.36 -1.08 -1.08 1.08 -1.76 -1.63 115.11 113.30 2jgj h GLN 322 Ca 0.30 -0.17 -0.54 0.00 -1.45 0.00 0.00 58.65 56.79 2jgj h GLN 322 Cb 1.41 -0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 28.58 2jgj h GLN 322 CO 0.72 0.71 0.70 -0.25 -0.95 0.00 0.00 178.83 179.75 2jgj n ASP 323 N -4.58 6.02 -4.15 1.46 8.00 -1.26 -4.58 116.55 117.46 2jgj n ASP 323 Ca -0.06 -3.53 -0.28 0.00 0.71 0.00 0.00 54.79 51.63 2jgj n ASP 323 Cb 0.34 -0.92 -0.16 0.00 -0.02 0.00 0.00 41.12 40.35 2jgj n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jgj s LEU 324 N -3.17 1.91 -0.07 0.64 2.96 -1.20 -5.01 118.68 114.75 2jgj s LEU 324 Ca 0.54 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 2jgj s LEU 324 Cb 0.43 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 2jgj s LEU 324 CO 0.03 0.14 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.94 2jgj s GLN 325 N 0.25 2.74 -0.01 1.98 1.11 -1.26 -0.83 119.66 123.64 2jgj s GLN 325 Ca -0.10 -0.72 0.00 0.00 0.01 0.00 0.00 55.36 54.55 2jgj s GLN 325 Cb -0.15 -2.42 0.01 0.00 -1.01 0.00 0.00 33.01 29.44 2jgj s GLN 325 CO 0.05 0.49 0.00 0.08 0.01 0.00 0.00 175.29 175.91 2jgj s VAL 326 N -0.38 0.06 -0.16 1.09 1.01 0.51 -2.29 120.40 120.24 2jgj s VAL 326 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 2jgj s VAL 326 Cb -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2jgj s VAL 326 CO 0.02 0.06 -0.10 -0.22 0.00 0.00 0.00 175.10 174.86 2jgj s LEU 327 N 0.41 2.80 0.07 3.92 2.96 -0.76 -0.58 118.68 127.49 2jgj s LEU 327 Ca -0.04 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2jgj s LEU 327 Cb -0.06 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2jgj s LEU 327 CO -0.01 0.10 -0.10 0.68 -1.32 0.00 0.00 176.35 175.70 2jgj s VAL 328 N 0.75 0.84 0.08 1.68 -7.23 0.16 -0.26 120.40 116.41 2jgj s VAL 328 Ca -0.04 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.49 2jgj s VAL 328 Cb -0.15 -1.05 0.09 0.00 0.56 0.00 0.00 36.38 35.83 2jgj s VAL 328 CO 0.02 -0.43 1.16 -0.83 -0.31 0.00 0.00 175.10 174.71 2jgj s GLY 329 N -2.00 -0.09 0.14 2.32 0.00 -0.85 -1.60 107.32 105.22 2jgj s GLY 329 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 2jgj s GLY 329 CO 0.01 2.97 0.04 -1.34 0.00 0.00 0.00 173.10 174.77 2jgj s VAL 330 N -2.25 0.26 0.34 1.40 -7.23 -0.98 -0.20 120.40 111.74 2jgj s VAL 330 Ca 0.22 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 2jgj s VAL 330 Cb -0.00 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 2jgj s VAL 330 CO 0.01 -0.50 0.50 0.68 -0.31 0.00 0.00 175.10 175.48 2jgj s VAL 331 N -3.94 4.36 0.53 1.32 -7.23 -1.26 -0.28 120.40 113.91 2jgj s VAL 331 Ca 0.23 -0.86 0.22 0.00 -1.81 0.00 0.00 61.98 59.76 2jgj s VAL 331 Cb 0.07 -3.54 0.33 0.00 0.56 0.00 0.00 36.38 33.80 2jgj s VAL 331 CO 0.02 -0.25 2.09 0.50 -0.31 0.00 0.00 175.10 177.14 2jgj h LYS 332 N 0.83 0.00 -2.06 4.82 3.64 -0.82 -3.30 116.57 119.68 2jgj h LYS 332 Ca -0.47 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.36 2jgj h LYS 332 Cb 1.25 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.67 2jgj h LYS 332 CO 0.56 0.00 -0.99 -0.25 -2.27 0.00 0.00 179.45 176.49 2jgj n ASP 333 N -4.37 1.45 0.26 4.20 9.92 -0.26 -4.92 116.55 122.84 2jgj n ASP 333 Ca 0.02 -3.02 0.15 0.00 -0.53 0.00 0.00 54.79 51.41 2jgj n ASP 333 Cb 0.32 -0.63 0.85 0.00 -0.64 0.00 0.00 41.12 41.02 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 3.63 0.00 0.00 -1.24 4.39 -1.76 -3.18 114.58 116.43 2jgj h GLU 334 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2jgj h GLU 334 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2jgj h GLU 334 CO 0.58 0.00 -1.37 0.41 -1.16 0.00 0.00 179.01 177.47 2jgj n GLY 335 N -1.38 -1.03 0.49 -3.84 0.00 -1.26 -4.30 105.19 93.88 2jgj n GLY 335 Ca -0.02 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.38 -0.75 1.61 4.64 -1.77 -2.85 113.55 113.05 2jgj h SER 336 Ca 0.00 0.12 0.25 0.00 -0.47 0.00 0.00 61.79 61.69 2jgj h SER 336 Cb 0.71 0.46 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 2jgj h SER 336 CO 0.00 -0.65 0.19 0.00 -0.87 0.00 0.00 176.83 175.51 2jgj n TYR 337 N -5.55 0.66 0.18 4.77 9.36 -1.26 -1.51 117.16 123.80 2jgj n TYR 337 Ca -0.11 0.89 0.06 0.00 3.32 0.00 0.00 57.90 62.06 2jgj n TYR 337 Cb 0.45 -1.17 0.13 0.00 -0.63 0.00 0.00 39.34 38.12 2jgj n TYR 337 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2jgj h PHE 338 N 0.00 0.00 -0.39 2.98 -1.00 -1.82 -3.31 116.94 113.40 2jgj h PHE 338 Ca 0.54 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.24 2jgj h PHE 338 Cb 1.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.82 2jgj h PHE 338 CO -0.21 0.31 -0.08 -0.07 -1.61 0.00 0.00 178.31 176.65 2jgj h LEU 339 N 0.00 0.64 -0.23 1.54 3.38 -1.35 -2.14 115.31 117.15 2jgj h LEU 339 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2jgj h LEU 339 Cb 1.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2jgj h LEU 339 CO 0.04 0.77 0.00 1.33 0.09 0.00 0.00 178.44 180.67 2jgj n VAL 340 N -4.20 1.22 -0.99 1.22 0.24 -1.25 -0.75 118.33 113.82 2jgj n VAL 340 Ca 0.01 0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 62.54 2jgj n VAL 340 Cb 0.33 -1.21 0.24 0.00 -1.47 0.00 0.00 33.84 31.73 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 -1.68 2.58 0.00 6.34 4.02 -0.80 -4.71 117.16 122.90 2jgj n TYR 341 Ca 0.02 -1.39 0.00 0.00 -0.01 0.00 0.00 57.90 56.52 2jgj n TYR 341 Cb 0.13 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 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 -0.48 -0.23 3.50 2.72 0.00 -1.15 -4.91 105.19 104.64 2jgj n GLY 342 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 5.17 0.11 1.61 1.01 0.07 -5.02 120.40 123.34 2jgj s VAL 343 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 61.98 61.33 2jgj s VAL 343 Cb 0.00 -3.93 -0.14 0.00 0.00 0.00 0.00 36.38 32.31 2jgj s VAL 343 CO 0.00 -0.28 1.62 -2.65 0.00 0.00 0.00 175.10 173.80 2jgj n PRO 344 N 5.40 2.10 0.00 2.72 -0.02 -1.26 -2.27 135.00 141.67 2jgj n PRO 344 Ca -0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2jgj n PRO 344 Cb 0.48 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2jgj n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgj n GLY 345 N 3.56 0.66 3.37 -1.23 0.00 -1.26 -4.95 105.19 105.35 2jgj n GLY 345 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 2.57 -0.01 1.61 0.40 -0.96 -4.50 117.98 115.08 2jgj s PHE 346 Ca 0.00 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 55.62 2jgj s PHE 346 Cb 0.00 -1.62 0.08 0.00 0.51 0.00 0.00 43.02 41.99 2jgj s PHE 346 CO 0.00 -0.01 0.71 0.45 0.70 0.00 0.00 175.22 177.06 2jgj s SER 347 N -0.43 -0.59 0.11 1.36 0.15 -1.26 -4.62 113.70 108.42 2jgj s SER 347 Ca 0.05 0.48 0.27 0.00 0.70 0.00 0.00 55.95 57.45 2jgj s SER 347 Cb -0.12 0.52 1.01 0.00 -1.71 0.00 0.00 66.02 65.72 2jgj s SER 347 CO 0.02 -0.66 1.85 2.29 1.20 0.00 0.00 173.24 177.93 2jgj n LYS 348 N 0.52 0.14 0.00 5.44 2.85 -1.26 -3.88 118.16 121.97 2jgj n LYS 348 Ca -0.17 0.12 0.13 0.00 -1.05 0.00 0.00 58.31 57.33 2jgj n LYS 348 Cb 0.59 -1.66 0.30 0.00 -0.65 0.00 0.00 35.03 33.61 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 -1.91 1.52 -0.82 -5.58 8.00 -1.26 -4.44 116.55 112.07 2jgj n ASP 349 Ca 0.06 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.31 2jgj n ASP 349 Cb 0.39 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 2jgj n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jgj n ASN 350 N -0.15 0.00 -0.22 -2.24 0.23 -1.25 -5.06 115.26 106.57 2jgj n ASN 350 Ca 0.13 -0.82 0.15 0.00 -0.53 0.00 0.00 54.58 53.51 2jgj n ASN 350 Cb 0.40 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.76 2jgj n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jgj n GLU 351 N 0.00 1.12 -4.01 -3.83 1.02 -1.26 -4.84 120.64 108.84 2jgj n GLU 351 Ca 0.00 -0.44 -0.29 0.00 -0.02 0.00 0.00 57.16 56.42 2jgj n GLU 351 Cb 0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 2jgj n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jgj n SER 352 N -0.56 -1.63 -4.58 1.62 7.64 -1.26 -4.88 113.62 109.97 2jgj n SER 352 Ca 0.19 -0.97 -0.43 0.00 1.01 0.00 0.00 58.87 58.66 2jgj n SER 352 Cb 0.26 -3.12 -0.03 0.00 -1.01 0.00 0.00 64.21 60.32 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 -7.07 3.77 0.41 -3.43 1.43 -1.26 -4.79 118.68 107.75 2jgj s LEU 353 Ca 0.27 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2jgj s LEU 353 Cb -0.14 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 2jgj s LEU 353 CO 0.89 -1.20 0.63 0.27 0.23 0.00 0.00 176.35 177.17 2jgj s ILE 354 N 4.23 4.48 0.66 -0.59 -4.36 -1.25 -5.00 121.20 119.37 2jgj s ILE 354 Ca 0.43 -0.44 -0.05 0.00 -0.26 0.00 0.00 60.65 60.33 2jgj s ILE 354 Cb -0.08 -3.65 0.05 0.00 1.25 0.00 0.00 42.46 40.03 2jgj s ILE 354 CO 0.29 -0.46 0.96 -0.94 0.24 0.00 0.00 174.94 175.03 2jgj s SER 355 N -4.14 4.98 0.20 4.36 1.04 -1.26 -4.24 113.70 114.64 2jgj s SER 355 Ca 0.45 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 57.17 2jgj s SER 355 Cb -0.10 -1.13 0.14 0.00 0.10 0.00 0.00 66.02 65.03 2jgj s SER 355 CO 0.38 -1.46 1.87 -0.09 0.98 0.00 0.00 173.24 174.92 2jgj h ARG 356 N -0.43 0.93 -0.78 4.02 2.43 -1.91 -2.25 114.38 116.38 2jgj h ARG 356 Ca -0.44 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 2jgj h ARG 356 Cb 1.31 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 2jgj h ARG 356 CO 0.59 0.62 0.32 0.00 -1.51 0.00 0.00 179.97 179.98 2jgj h ALA 357 N 1.26 1.08 -0.37 2.80 0.00 -2.00 -1.28 119.26 120.75 2jgj h ALA 357 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jgj h ALA 357 Cb -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 2jgj h ALA 357 CO -0.06 0.66 0.04 1.96 0.00 0.00 0.00 179.25 181.85 2jgj h GLN 358 N 1.14 0.56 -0.36 0.00 4.20 -1.90 -2.32 115.11 116.43 2jgj h GLN 358 Ca 0.26 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.71 2jgj h GLN 358 Cb 0.20 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2jgj h GLN 358 CO -0.02 0.56 -0.37 0.35 -0.67 0.00 0.00 178.83 178.67 2jgj h PHE 359 N 0.54 1.06 -0.59 2.96 3.04 -0.67 0.14 116.94 123.42 2jgj h PHE 359 Ca 0.12 -0.32 -0.08 0.00 3.98 0.00 0.00 57.97 61.67 2jgj h PHE 359 Cb 0.29 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 2jgj h PHE 359 CO 0.01 1.13 0.06 -0.07 -2.02 0.00 0.00 178.31 177.42 2jgj h LEU 360 N 0.68 0.95 -0.31 0.59 3.38 -1.05 -2.25 115.31 117.31 2jgj h LEU 360 Ca 0.06 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 2jgj h LEU 360 Cb 0.96 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jgj h LEU 360 CO 0.09 0.97 -0.47 0.00 0.09 0.00 0.00 178.44 179.12 2jgj h ALA 361 N 1.13 0.47 -0.73 1.53 0.00 -1.33 -2.99 119.26 117.34 2jgj h ALA 361 Ca 0.18 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2jgj h ALA 361 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2jgj h ALA 361 CO 0.02 0.63 0.48 0.78 0.00 0.00 0.00 179.25 181.16 2jgj h GLY 362 N 0.65 0.96 1.38 0.00 0.00 -0.60 -2.79 103.07 102.67 2jgj h GLY 362 Ca 0.03 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 2jgj h GLY 362 CO 0.11 0.22 -0.24 -2.08 0.00 0.00 0.00 176.54 174.55 2jgj h VAL 363 N 0.75 1.27 0.00 4.60 2.07 -1.26 0.76 116.25 124.44 2jgj h VAL 363 Ca 0.32 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2jgj h VAL 363 Cb 0.27 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2jgj h VAL 363 CO -0.11 0.44 -0.03 0.03 0.02 0.00 0.00 177.57 177.93 2jgj h ARG 364 N 0.62 0.00 0.12 1.57 2.47 -1.42 0.77 114.38 118.51 2jgj h ARG 364 Ca 0.09 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.45 2jgj h ARG 364 Cb 0.73 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 2jgj h ARG 364 CO 0.06 0.03 -1.98 -0.89 0.56 0.00 0.00 179.97 177.75 2jgj n ILE 365 N -3.15 1.76 0.08 2.04 5.41 -0.95 -3.44 119.36 121.10 2jgj n ILE 365 Ca -0.00 -0.62 -0.04 0.00 1.00 0.00 0.00 62.75 63.09 2jgj n ILE 365 Cb 0.27 -1.74 0.16 0.00 -0.71 0.00 0.00 39.64 37.61 2jgj n ILE 365 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2jgj h GLY 366 N 1.01 0.30 -6.11 7.39 0.00 -0.71 -2.96 103.07 101.99 2jgj h GLY 366 Ca -0.43 -0.33 -0.60 0.00 0.00 0.00 0.00 47.33 45.97 2jgj h GLY 366 CO 0.07 0.30 -0.62 -0.62 0.00 0.00 0.00 176.54 175.66 2jgj n VAL 367 N -3.95 2.28 0.31 4.60 0.31 0.25 -4.85 118.33 117.29 2jgj n VAL 367 Ca -0.02 -5.20 0.20 0.00 -0.01 0.00 0.00 64.34 59.31 2jgj n VAL 367 Cb 0.55 -2.03 0.99 0.00 -0.91 0.00 0.00 33.84 32.45 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 4.06 0.00 0.00 5.55 0.13 -1.66 -0.53 132.00 139.55 2jgj h PRO 368 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2jgj h PRO 368 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2jgj h PRO 368 CO 0.82 0.01 -0.19 -0.56 -0.23 0.00 0.00 178.00 177.84 2jgj h GLN 369 N 0.00 0.00 -6.50 0.86 3.07 -1.91 -3.47 115.11 107.16 2jgj h GLN 369 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 2jgj h GLN 369 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.77 2jgj h GLN 369 CO 0.00 0.00 0.60 0.00 0.09 0.00 0.00 178.83 179.53 2jgj s ALA 370 N -3.14 3.44 0.91 0.06 0.00 -0.21 -5.05 121.76 117.78 2jgj s ALA 370 Ca 0.09 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2jgj s ALA 370 Cb 0.11 -3.47 0.14 0.00 0.00 0.00 0.00 23.12 19.90 2jgj s ALA 370 CO 0.65 -0.48 1.09 -1.54 0.00 0.00 0.00 175.76 175.48 2jgj s SER 371 N 1.07 3.34 0.27 0.00 1.04 -1.26 -4.71 113.70 113.45 2jgj s SER 371 Ca 0.60 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.50 2jgj s SER 371 Cb -0.31 -2.14 0.62 0.00 0.10 0.00 0.00 66.02 64.28 2jgj s SER 371 CO 0.29 -2.72 1.71 0.44 0.98 0.00 0.00 173.24 173.95 2jgj h ASP 372 N -1.60 0.30 -0.08 7.02 5.19 -1.98 0.90 116.42 126.17 2jgj h ASP 372 Ca -0.50 0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.01 2jgj h ASP 372 Cb 1.29 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.91 2jgj h ASP 372 CO 0.55 0.05 -0.09 0.25 -3.12 0.00 0.00 179.24 176.87 2jgj h LEU 373 N 0.42 0.23 -0.73 1.55 5.85 -1.99 -0.89 115.31 119.76 2jgj h LEU 373 Ca 0.50 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2jgj h LEU 373 Cb 0.87 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2jgj h LEU 373 CO -0.48 0.68 0.44 0.00 -0.34 0.00 0.00 178.44 178.73 2jgj h ALA 374 N 0.56 0.97 -0.80 1.25 0.00 -1.75 0.86 119.26 120.34 2jgj h ALA 374 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jgj h ALA 374 Cb 0.62 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2jgj h ALA 374 CO 0.02 0.17 0.34 0.00 0.00 0.00 0.00 179.25 179.78 2jgj h ALA 375 N 1.34 1.04 -0.11 0.00 0.00 -0.82 -0.72 119.26 119.99 2jgj h ALA 375 Ca 0.31 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jgj h ALA 375 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2jgj h ALA 375 CO -0.15 0.65 0.00 1.49 0.00 0.00 0.00 179.25 181.24 2jgj h GLU 376 N 1.16 0.04 -0.82 0.00 4.57 -0.22 -1.05 114.58 118.25 2jgj h GLU 376 Ca 0.27 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.57 2jgj h GLU 376 Cb 0.19 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.68 2jgj h GLU 376 CO -0.03 0.03 0.44 0.00 -1.18 0.00 0.00 179.01 178.27 2jgj h ALA 377 N 1.09 1.20 -0.12 2.92 0.00 -0.19 0.44 119.26 124.61 2jgj h ALA 377 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jgj h ALA 377 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jgj h ALA 377 CO -0.09 -0.02 0.05 0.28 0.00 0.00 0.00 179.25 179.48 2jgj h VAL 378 N 0.68 1.13 -0.35 0.00 2.07 -0.77 -1.91 116.25 117.10 2jgj h VAL 378 Ca 0.42 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2jgj h VAL 378 Cb 0.51 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2jgj h VAL 378 CO -0.31 0.12 0.21 0.58 0.02 0.00 0.00 177.57 178.19 2jgj h VAL 379 N 0.05 1.05 -0.21 2.57 2.07 -0.24 -1.58 116.25 119.96 2jgj h VAL 379 Ca 0.04 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2jgj h VAL 379 Cb 0.14 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2jgj h VAL 379 CO -0.00 0.08 -0.04 -0.07 0.02 0.00 0.00 177.57 177.55 2jgj h LEU 380 N 0.43 0.30 -0.10 2.57 3.38 -0.86 0.05 115.31 121.08 2jgj h LEU 380 Ca 0.14 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 2jgj h LEU 380 Cb -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jgj h LEU 380 CO -0.06 0.39 -1.02 -0.74 0.09 0.00 0.00 178.44 177.10 2jgj h HIS 381 N 0.31 0.52 0.00 1.13 2.76 -0.77 -3.32 115.15 115.78 2jgj h HIS 381 Ca 0.07 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 2jgj h HIS 381 Cb 0.28 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2jgj h HIS 381 CO 0.01 1.16 -1.13 0.66 -1.30 0.00 0.00 177.93 177.33 2jgj n TYR 382 N -3.67 0.34 -1.91 5.26 4.02 -0.65 -4.84 117.16 115.71 2jgj n TYR 382 Ca -0.07 0.10 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 2jgj n TYR 382 Cb 0.89 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.66 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 -3.25 2.76 -0.53 -0.72 2.01 -0.01 -4.88 115.64 111.01 2jgj s THR 383 Ca 0.02 0.42 -0.28 0.00 0.31 0.00 0.00 61.69 62.16 2jgj s THR 383 Cb 0.14 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.41 2jgj s THR 383 CO 0.81 0.02 1.11 -0.62 -0.69 0.00 0.00 174.62 175.25 2jgj s ASP 384 N 1.74 6.50 0.16 3.53 -1.08 -1.26 -4.93 116.67 121.33 2jgj s ASP 384 Ca 0.72 0.17 0.22 0.00 -0.52 0.00 0.00 52.55 53.14 2jgj s ASP 384 Cb -0.43 -2.52 0.88 0.00 -1.46 0.00 0.00 42.92 39.40 2jgj s ASP 384 CO 0.32 -1.32 1.68 0.79 0.52 0.00 0.00 175.17 177.16 2jgj n TRP 385 N 7.96 0.55 0.13 -5.34 7.02 -1.26 -1.31 117.44 125.18 2jgj n TRP 385 Ca 0.08 0.20 -0.02 0.00 -1.02 0.00 0.00 57.50 56.74 2jgj n TRP 385 Cb 0.49 -0.82 0.18 0.00 -2.42 0.00 0.00 31.31 28.73 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 0.08 -5.94 -0.99 3.38 -2.04 -3.37 115.31 106.43 2jgj h LEU 386 Ca 0.00 -0.04 -0.50 0.00 0.09 0.00 0.00 57.88 57.43 2jgj h LEU 386 Cb 0.41 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.74 2jgj h LEU 386 CO 0.00 0.65 -1.13 1.41 0.09 0.00 0.00 178.44 179.45 2jgj n HIS 387 N -3.85 0.53 0.22 1.13 8.25 -0.43 -5.00 115.22 116.07 2jgj n HIS 387 Ca -0.02 -3.82 0.16 0.00 -0.26 0.00 0.00 57.72 53.79 2jgj n HIS 387 Cb 0.59 -0.42 0.84 0.00 1.12 0.00 0.00 29.99 32.12 2jgj n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jgj h PRO 388 N 3.10 0.00 -0.00 -0.41 0.13 -1.42 -2.96 132.00 130.44 2jgj h PRO 388 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2jgj h PRO 388 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2jgj h PRO 388 CO 0.53 0.00 -0.10 0.39 -0.23 0.00 0.00 178.00 178.59 2jgj n GLU 389 N -3.86 2.68 -1.56 0.86 -0.58 -1.26 -4.88 120.64 112.03 2jgj n GLU 389 Ca 0.00 -0.39 -0.47 0.00 -0.42 0.00 0.00 57.16 55.89 2jgj n GLU 389 Cb 0.26 -0.89 -0.05 0.00 -0.57 0.00 0.00 31.44 30.19 2jgj n GLU 389 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2jgj n ASP 390 N -0.43 2.93 -0.34 1.62 2.03 -1.12 -4.75 116.55 116.50 2jgj n ASP 390 Ca 0.02 0.45 0.07 0.00 0.52 0.00 0.00 54.79 55.84 2jgj n ASP 390 Cb 0.09 -1.42 0.23 0.00 -0.72 0.00 0.00 41.12 39.31 2jgj n ASP 390 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jgj h PRO 391 N 12.87 0.85 -0.44 -0.67 0.13 -1.92 -1.79 132.00 141.03 2jgj h PRO 391 Ca -0.38 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jgj h PRO 391 Cb 1.28 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2jgj h PRO 391 CO 0.98 0.56 0.28 1.15 -0.23 0.00 0.00 178.00 180.74 2jgj h THR 392 N 0.88 1.13 -0.13 1.56 2.02 -1.89 -1.80 112.91 114.67 2jgj h THR 392 Ca 0.49 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 2jgj h THR 392 Cb 0.54 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2jgj h THR 392 CO -0.29 0.13 0.06 0.45 0.37 0.00 0.00 175.52 176.24 2jgj h HIS 393 N 0.59 0.19 -0.86 3.16 3.86 -1.75 -1.52 115.15 118.83 2jgj h HIS 393 Ca 0.16 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.44 2jgj h HIS 393 Cb -0.03 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.32 2jgj h HIS 393 CO -0.04 0.26 0.56 -0.07 0.86 0.00 0.00 177.93 179.50 2jgj h LEU 394 N 0.07 0.79 0.03 2.43 3.38 -1.23 0.21 115.31 120.98 2jgj h LEU 394 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jgj h LEU 394 Cb 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jgj h LEU 394 CO -0.00 0.48 -0.01 -0.09 0.09 0.00 0.00 178.44 178.90 2jgj h ARG 395 N 0.88 -0.03 -0.35 1.13 1.12 -1.15 -1.88 114.38 114.10 2jgj h ARG 395 Ca 0.39 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.26 2jgj h ARG 395 Cb 0.35 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.30 2jgj h ARG 395 CO -0.16 0.47 0.20 -0.44 -3.11 0.00 0.00 179.97 176.93 2jgj h ASP 396 N -0.55 0.41 -0.31 -3.80 3.32 -0.86 -1.99 116.42 112.64 2jgj h ASP 396 Ca -0.00 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.85 2jgj h ASP 396 Cb 0.52 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2jgj h ASP 396 CO 0.01 0.33 -0.48 0.00 -1.72 0.00 0.00 179.24 177.38 2jgj h ALA 397 N 1.74 0.47 -0.52 3.45 0.00 -0.55 -1.09 119.26 122.77 2jgj h ALA 397 Ca 0.12 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2jgj h ALA 397 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jgj h ALA 397 CO -0.02 0.64 0.32 1.98 0.00 0.00 0.00 179.25 182.17 2jgj h MET 398 N 0.65 0.62 0.27 0.00 1.85 -0.92 0.43 114.93 117.83 2jgj h MET 398 Ca 0.03 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2jgj h MET 398 Cb 1.08 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.95 2jgj h MET 398 CO 0.11 0.41 -0.28 1.03 -0.40 0.00 0.00 176.91 177.78 2jgj h SER 399 N 0.64 -0.76 -0.56 1.39 0.87 -1.26 -2.62 113.55 111.25 2jgj h SER 399 Ca 0.20 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.91 2jgj h SER 399 Cb -0.01 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 2jgj h SER 399 CO -0.08 -0.40 0.22 0.00 -0.53 0.00 0.00 176.83 176.04 2jgj h ALA 400 N 0.02 0.71 -0.47 6.23 0.00 -0.79 -0.49 119.26 124.47 2jgj h ALA 400 Ca -0.01 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2jgj h ALA 400 Cb 0.55 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2jgj h ALA 400 CO -0.07 -0.17 0.05 0.28 0.00 0.00 0.00 179.25 179.34 2jgj h VAL 401 N 0.42 0.69 -0.06 0.00 2.07 -0.04 0.10 116.25 119.43 2jgj h VAL 401 Ca 0.27 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.72 2jgj h VAL 401 Cb 0.28 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2jgj h VAL 401 CO -0.25 0.03 -0.02 0.58 0.02 0.00 0.00 177.57 177.93 2jgj h VAL 402 N 0.17 1.31 -0.52 2.57 2.07 -0.95 -1.99 116.25 118.90 2jgj h VAL 402 Ca 0.23 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2jgj h VAL 402 Cb 0.33 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2jgj h VAL 402 CO -0.35 0.27 0.30 1.23 0.02 0.00 0.00 177.57 179.04 2jgj h GLY 403 N -0.24 0.76 0.80 2.17 0.00 -0.94 -1.46 103.07 104.16 2jgj h GLY 403 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2jgj h GLY 403 CO 0.01 0.31 -0.04 -0.55 0.00 0.00 0.00 176.54 176.26 2jgj h ASP 404 N 0.69 -0.10 -0.56 0.19 3.32 -0.81 0.17 116.42 119.31 2jgj h ASP 404 Ca 0.18 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2jgj h ASP 404 Cb 0.00 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2jgj h ASP 404 CO -0.03 0.11 0.16 -0.74 -1.72 0.00 0.00 179.24 177.02 2jgj h HIS 405 N -0.32 0.95 0.00 4.55 2.76 -1.34 -0.40 115.15 121.35 2jgj h HIS 405 Ca -0.01 -0.09 -0.30 0.00 -2.20 0.00 0.00 60.37 57.77 2jgj h HIS 405 Cb 0.27 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 28.90 2jgj h HIS 405 CO -0.01 0.78 -1.93 0.09 -1.30 0.00 0.00 177.93 175.56 2jgj n ASN 406 N -4.27 0.54 0.06 3.26 3.02 -0.55 -4.57 115.26 112.75 2jgj n ASN 406 Ca 0.05 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 2jgj n ASN 406 Cb 0.22 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 -2.91 0.53 0.02 2.41 0.31 0.48 -4.72 118.33 114.44 2jgj n VAL 407 Ca -0.22 0.17 -0.12 0.00 -0.01 0.00 0.00 64.34 64.17 2jgj n VAL 407 Cb 1.06 -1.01 -0.06 0.00 -0.91 0.00 0.00 33.84 32.92 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 1.02 -0.24 2.52 2.07 -1.28 0.16 116.25 120.49 2jgj h VAL 408 Ca 0.00 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 2jgj h VAL 408 Cb 0.00 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2jgj h VAL 408 CO 0.00 0.02 -0.31 0.00 0.02 0.00 0.00 177.57 177.30 2jgj h PRO 410 N 0.35 1.03 -0.42 0.00 0.11 -1.69 -1.57 132.00 129.80 2jgj h PRO 410 Ca 0.03 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2jgj h PRO 410 Cb 0.89 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 2jgj h PRO 410 CO 0.07 0.68 0.27 0.28 -0.21 0.00 0.00 178.00 179.09 2jgj h VAL 411 N 1.06 1.12 -0.36 3.15 2.07 -0.33 -0.78 116.25 122.18 2jgj h VAL 411 Ca 0.45 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.74 2jgj h VAL 411 Cb 0.30 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2jgj h VAL 411 CO -0.21 0.12 0.19 0.00 0.02 0.00 0.00 177.57 177.69 2jgj h ALA 412 N 1.14 0.45 0.00 1.67 0.00 -0.76 0.14 119.26 121.91 2jgj h ALA 412 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jgj h ALA 412 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jgj h ALA 412 CO -0.03 -0.17 -0.10 0.37 0.00 0.00 0.00 179.25 179.31 2jgj h GLN 413 N 0.39 -0.17 -0.37 0.00 5.75 -1.21 -0.74 115.11 118.76 2jgj h GLN 413 Ca 0.15 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.70 2jgj h GLN 413 Cb 0.05 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 2jgj h GLN 413 CO -0.10 -0.11 0.15 1.25 -2.65 0.00 0.00 178.83 177.37 2jgj h LEU 414 N -0.18 0.19 -0.35 -2.39 5.85 -0.86 -1.38 115.31 116.20 2jgj h LEU 414 Ca 0.04 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2jgj h LEU 414 Cb 0.22 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2jgj h LEU 414 CO -0.10 0.15 0.14 0.00 -0.34 0.00 0.00 178.44 178.29 2jgj h ALA 415 N 1.22 0.41 0.17 1.25 0.00 -0.47 -1.60 119.26 120.24 2jgj h ALA 415 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jgj h ALA 415 Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jgj h ALA 415 CO -0.15 -0.24 -0.14 0.78 0.00 0.00 0.00 179.25 179.49 2jgj h GLY 416 N 0.30 -0.32 0.94 0.00 0.00 -0.95 -1.91 103.07 101.13 2jgj h GLY 416 Ca 0.15 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2jgj h GLY 416 CO -0.14 -0.15 0.16 3.21 0.00 0.00 0.00 176.54 179.63 2jgj h ARG 417 N -0.33 0.45 -0.43 4.80 2.47 -1.10 -1.65 114.38 118.60 2jgj h ARG 417 Ca -0.00 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2jgj h ARG 417 Cb 0.30 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2jgj h ARG 417 CO -0.02 0.41 0.25 -0.07 0.56 0.00 0.00 179.97 181.10 2jgj h LEU 418 N 0.38 0.40 -0.22 3.04 3.38 -1.27 -1.07 115.31 119.94 2jgj h LEU 418 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2jgj h LEU 418 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jgj h LEU 418 CO -0.01 0.28 0.10 0.00 0.09 0.00 0.00 178.44 178.90 2jgj h ALA 419 N 1.20 0.29 -0.07 1.53 0.00 -1.18 -1.21 119.26 119.82 2jgj h ALA 419 Ca 0.17 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jgj h ALA 419 Cb 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jgj h ALA 419 CO -0.09 -0.13 0.06 0.00 0.00 0.00 0.00 179.25 179.09 2jgj h ALA 420 N 0.95 1.84 -0.70 0.00 0.00 -1.14 -2.52 119.26 117.70 2jgj h ALA 420 Ca 0.08 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 2jgj h ALA 420 Cb 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.77 2jgj h ALA 420 CO -0.01 -0.09 0.30 1.04 0.00 0.00 0.00 179.25 180.49 2jgj n GLN 421 N -4.18 2.76 0.00 0.00 6.02 -0.42 -4.93 117.38 116.63 2jgj n GLN 421 Ca -0.01 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.91 2jgj n GLN 421 Cb 0.16 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.33 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 -0.73 0.64 3.77 1.08 0.00 -0.95 -1.75 105.19 107.25 2jgj n GLY 422 Ca 0.44 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.20 2.67 -0.32 4.61 0.00 -0.52 -4.35 121.76 121.65 2jgj s ALA 423 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 2jgj s ALA 423 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2jgj s ALA 423 CO 0.00 -0.84 0.50 0.50 0.00 0.00 0.00 175.76 175.92 2jgj s ARG 424 N -3.36 3.78 -0.08 0.00 3.52 -0.01 -4.36 118.95 118.43 2jgj s ARG 424 Ca 0.72 -0.02 0.05 0.00 -0.13 0.00 0.00 55.73 56.36 2jgj s ARG 424 Cb -0.24 -3.75 -0.01 0.00 -1.56 0.00 0.00 34.95 29.39 2jgj s ARG 424 CO 0.29 -0.53 -0.24 0.08 -0.81 0.00 0.00 175.30 174.08 2jgj s VAL 425 N 2.34 2.05 -0.07 7.11 1.01 -1.26 -0.37 120.40 131.21 2jgj s VAL 425 Ca 0.19 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2jgj s VAL 425 Cb -0.16 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2jgj s VAL 425 CO 0.12 0.56 -0.24 -0.31 0.00 0.00 0.00 175.10 175.23 2jgj s TYR 426 N 0.08 2.42 0.16 5.22 1.51 0.25 0.10 117.35 127.10 2jgj s TYR 426 Ca -0.11 -0.82 0.11 0.00 -1.01 0.00 0.00 57.07 55.23 2jgj s TYR 426 Cb -0.16 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2jgj s TYR 426 CO 0.06 -0.29 -0.24 0.00 -1.11 0.00 0.00 175.55 173.98 2jgj s ALA 427 N 0.04 2.36 0.07 3.71 0.00 -1.26 -0.67 121.76 126.02 2jgj s ALA 427 Ca -0.09 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 2jgj s ALA 427 Cb -0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2jgj s ALA 427 CO 0.05 0.43 0.04 1.52 0.00 0.00 0.00 175.76 177.81 2jgj s TYR 428 N -1.51 0.48 -0.06 0.00 -0.85 -0.63 -1.93 117.35 112.84 2jgj s TYR 428 Ca 0.17 -0.97 0.04 0.00 -0.52 0.00 0.00 57.07 55.79 2jgj s TYR 428 Cb -0.08 -0.31 -0.00 0.00 0.38 0.00 0.00 41.96 41.94 2jgj s TYR 428 CO 0.08 -0.45 -0.20 -1.50 -1.52 0.00 0.00 175.55 171.96 2jgj s ILE 429 N -3.93 1.66 -0.25 -3.49 2.07 -0.16 -2.32 121.20 114.78 2jgj s ILE 429 Ca 0.09 -0.82 -0.13 0.00 -1.41 0.00 0.00 60.65 58.38 2jgj s ILE 429 Cb 0.07 -1.43 -0.05 0.00 0.13 0.00 0.00 42.46 41.18 2jgj s ILE 429 CO -0.08 0.47 0.26 0.12 -1.91 0.00 0.00 174.94 173.80 2jgj s PHE 430 N 0.17 3.28 0.00 3.50 2.19 0.62 -0.24 117.98 127.51 2jgj s PHE 430 Ca -0.09 0.30 0.00 0.00 0.33 0.00 0.00 56.93 57.47 2jgj s PHE 430 Cb -0.14 -2.41 0.00 0.00 -1.31 0.00 0.00 43.02 39.15 2jgj s PHE 430 CO 0.04 -0.08 0.60 0.39 1.83 0.00 0.00 175.22 178.01 2jgj n GLU 431 N 4.78 0.50 -3.30 10.12 1.02 0.41 -0.36 120.64 133.81 2jgj n GLU 431 Ca -0.12 -0.77 -0.40 0.00 -0.02 0.00 0.00 57.16 55.85 2jgj n GLU 431 Cb 0.52 -0.90 -0.08 0.00 -0.02 0.00 0.00 31.44 30.95 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 -0.32 3.23 -0.23 -0.32 2.46 -1.25 -4.95 115.29 113.91 2jgj s HIS 432 Ca 0.00 0.41 -0.29 0.00 0.47 0.00 0.00 55.06 55.65 2jgj s HIS 432 Cb 0.00 -2.71 0.00 0.00 -0.13 0.00 0.00 32.58 29.74 2jgj s HIS 432 CO 0.00 -0.33 1.12 0.50 -2.47 0.00 0.00 174.74 173.55 2jgj s ARG 433 N 2.22 4.20 0.17 2.88 3.52 -1.26 -4.93 118.95 125.76 2jgj s ARG 433 Ca 0.18 1.38 -0.33 0.00 -0.13 0.00 0.00 55.73 56.83 2jgj s ARG 433 Cb -0.16 -3.70 -0.15 0.00 -1.56 0.00 0.00 34.95 29.39 2jgj s ARG 433 CO 0.11 -0.72 1.35 0.00 -0.81 0.00 0.00 175.30 175.23 2jgj n ALA 434 N 6.55 0.17 0.04 6.12 0.00 -1.26 -4.87 120.51 127.26 2jgj n ALA 434 Ca 0.13 0.45 0.03 0.00 0.00 0.00 0.00 53.44 54.06 2jgj n ALA 434 Cb 0.46 -2.17 0.42 0.00 0.00 0.00 0.00 19.45 18.16 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 4.35 0.40 -0.01 0.00 4.64 -1.96 -2.73 113.55 118.24 2jgj h SER 435 Ca -0.45 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2jgj h SER 435 Cb 1.30 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2jgj h SER 435 CO 0.77 0.35 0.00 0.35 -0.87 0.00 0.00 176.83 177.43 2jgj n THR 436 N -4.43 0.02 -2.03 2.95 -2.24 -1.26 -4.93 114.28 102.36 2jgj n THR 436 Ca 0.02 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2jgj n THR 436 Cb 0.11 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.04 4.36 0.14 3.22 2.96 -1.03 -4.92 118.68 122.38 2jgj s LEU 437 Ca 0.03 2.45 0.05 0.00 -0.22 0.00 0.00 54.13 56.44 2jgj s LEU 437 Cb 0.01 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.01 2jgj s LEU 437 CO 0.02 -0.78 1.33 0.71 -1.32 0.00 0.00 176.35 176.31 2jgj h THR 438 N 4.36 1.62 -4.21 3.68 1.35 -1.92 -3.46 112.91 114.33 2jgj h THR 438 Ca -0.42 -3.08 -0.51 0.00 -0.55 0.00 0.00 66.41 61.85 2jgj h THR 438 Cb 1.20 2.70 0.10 0.00 -1.73 0.00 0.00 68.15 70.43 2jgj h THR 438 CO 0.90 0.88 0.37 0.26 -0.25 0.00 0.00 175.52 177.69 2jgj s TRP 439 N -2.91 2.67 0.89 4.73 0.52 -1.26 -4.96 118.94 118.62 2jgj s TRP 439 Ca -0.00 1.54 -0.12 0.00 0.02 0.00 0.00 56.10 57.54 2jgj s TRP 439 Cb 0.10 -3.13 0.13 0.00 -1.15 0.00 0.00 33.47 29.41 2jgj s TRP 439 CO 0.82 -1.62 1.09 -1.25 0.02 0.00 0.00 176.95 176.01 2jgj s PRO 440 N -4.18 1.29 0.45 4.98 0.04 -1.26 -4.93 135.00 131.39 2jgj s PRO 440 Ca 0.66 0.73 0.17 0.00 0.04 0.00 0.00 61.00 62.60 2jgj s PRO 440 Cb -0.20 -1.82 1.06 0.00 0.04 0.00 0.00 34.50 33.58 2jgj s PRO 440 CO 0.42 -2.19 1.98 -0.07 0.04 0.00 0.00 177.00 177.18 2jgj h LEU 441 N -1.51 0.00 -1.22 -3.56 3.38 -1.94 -2.85 115.31 107.60 2jgj h LEU 441 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2jgj h LEU 441 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2jgj h LEU 441 CO 0.56 0.20 0.00 4.11 0.09 0.00 0.00 178.44 183.40 2jgj h TRP 442 N 0.00 0.00 0.00 1.13 5.08 -1.94 -1.15 115.95 119.07 2jgj h TRP 442 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2jgj h TRP 442 Cb 0.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.54 2jgj h TRP 442 CO 0.00 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 2jgj n MET 443 N -2.69 0.15 0.00 0.12 2.81 -1.08 -4.98 117.12 111.46 2jgj n MET 443 Ca 0.01 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2jgj n MET 443 Cb 0.25 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 1.36 3.66 3.20 3.03 0.00 -0.44 -3.76 105.19 112.24 2jgj n GLY 444 Ca 0.06 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 4.29 0.52 1.61 1.01 -1.26 -4.85 120.40 121.71 2jgj s VAL 445 Ca 0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 61.98 59.81 2jgj s VAL 445 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2jgj s VAL 445 CO 0.00 -0.83 0.86 -2.16 0.00 0.00 0.00 175.10 172.97 2jgj s PRO 446 N 0.94 3.59 -0.50 2.72 0.05 -1.25 -1.10 135.00 139.46 2jgj s PRO 446 Ca 0.09 0.41 -0.47 0.00 0.05 0.00 0.00 61.00 61.08 2jgj s PRO 446 Cb -0.23 -2.28 -0.20 0.00 0.05 0.00 0.00 34.50 31.84 2jgj s PRO 446 CO -0.02 -0.30 1.65 1.58 0.05 0.00 0.00 177.00 179.95 2jgj n HIS 447 N -2.30 1.71 0.00 0.56 -0.00 -1.24 -1.83 115.22 112.11 2jgj n HIS 447 Ca 0.02 1.12 0.00 0.00 -0.00 0.00 0.00 57.72 58.86 2jgj n HIS 447 Cb 0.55 -2.24 0.00 0.00 -0.00 0.00 0.00 29.99 28.30 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 4.31 2.67 0.69 1.57 0.00 -1.26 -4.96 105.19 108.21 2jgj n GLY 448 Ca 0.33 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.52 0.52 0.05 1.61 4.02 -0.76 -2.69 117.16 118.38 2jgj n TYR 449 Ca 0.00 -0.23 0.02 0.00 -0.01 0.00 0.00 57.90 57.67 2jgj n TYR 449 Cb 0.00 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.20 2jgj n TYR 449 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2jgj h GLU 450 N 1.82 0.00 -0.30 -0.72 9.09 -1.92 -3.42 114.58 119.14 2jgj h GLU 450 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.44 2jgj h GLU 450 Cb 0.57 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.64 2jgj h GLU 450 CO 0.04 0.27 0.10 0.82 0.05 0.00 0.00 179.01 180.29 2jgj h ILE 451 N 0.00 0.91 -0.46 -1.06 2.04 -1.90 -1.03 117.51 116.02 2jgj h ILE 451 Ca -0.13 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2jgj h ILE 451 Cb 1.50 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2jgj h ILE 451 CO 0.04 0.04 0.31 1.05 0.00 0.00 0.00 178.15 179.60 2jgj h GLU 452 N 0.23 0.25 -0.10 2.37 4.11 -1.79 -1.46 114.58 118.19 2jgj h GLU 452 Ca 0.13 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.40 2jgj h GLU 452 Cb 0.10 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jgj h GLU 452 CO -0.14 0.17 -0.50 0.74 0.07 0.00 0.00 179.01 179.35 2jgj h PHE 453 N 0.26 0.70 -0.87 2.06 0.04 -1.48 -1.01 116.94 116.64 2jgj h PHE 453 Ca 0.21 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 2jgj h PHE 453 Cb 0.49 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 2jgj h PHE 453 CO -0.00 1.08 0.45 0.82 -0.60 0.00 0.00 178.31 180.07 2jgj h ILE 454 N 0.11 1.26 -0.00 -0.55 1.08 -0.93 -2.64 117.51 115.84 2jgj h ILE 454 Ca -0.03 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 2jgj h ILE 454 Cb 1.14 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2jgj h ILE 454 CO 0.10 0.30 -0.02 0.49 -0.69 0.00 0.00 178.15 178.34 2jgj n PHE 455 N -4.33 0.00 -1.04 1.37 3.01 -0.59 -4.44 117.46 111.43 2jgj n PHE 455 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 2jgj n PHE 455 Cb 0.12 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 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 1.48 0.84 0.36 1.37 0.00 -1.00 -4.14 105.19 104.11 2jgj n GLY 456 Ca 0.07 -0.61 -0.04 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 1.13 0.00 0.99 3.38 -1.43 -2.27 115.31 117.11 2jgj h LEU 457 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jgj h LEU 457 Cb 0.41 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2jgj h LEU 457 CO 0.00 0.91 0.10 -2.65 0.09 0.00 0.00 178.44 176.89 2jgj n PRO 458 N -4.33 0.00 0.03 1.13 -0.02 -1.26 -0.26 135.00 130.29 2jgj n PRO 458 Ca 0.10 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2jgj n PRO 458 Cb 0.10 -1.60 0.53 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.30 0.21 -4.55 2.45 4.77 -0.86 -4.58 117.00 113.14 2jgj n LEU 459 Ca 0.00 0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 2jgj n LEU 459 Cb 0.10 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 2jgj n LEU 459 CO 0.00 -0.09 0.68 -0.62 -1.33 0.00 0.00 177.39 176.03 2jgj s ASP 460 N -3.39 6.46 0.38 -1.43 2.15 0.64 -4.80 116.67 116.68 2jgj s ASP 460 Ca 0.12 0.02 0.06 0.00 0.43 0.00 0.00 52.55 53.18 2jgj s ASP 460 Cb 0.16 -2.43 0.75 0.00 -0.30 0.00 0.00 42.92 41.10 2jgj s ASP 460 CO 0.51 -1.01 1.98 -0.65 -0.17 0.00 0.00 175.17 175.84 2jgj h PRO 461 N 9.05 0.55 0.00 4.34 0.11 -1.86 -2.25 132.00 141.94 2jgj h PRO 461 Ca -0.24 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2jgj h PRO 461 Cb 1.08 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2jgj h PRO 461 CO 1.00 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 178.11 2jgj n SER 462 N -4.40 0.00 -0.07 -2.05 3.41 -1.26 -2.56 113.62 106.70 2jgj n SER 462 Ca 0.03 -0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.58 2jgj n SER 462 Cb 0.13 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.10 0.97 -1.46 1.04 4.77 -0.85 -4.99 117.00 115.39 2jgj n LEU 463 Ca 0.07 -0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 55.56 2jgj n LEU 463 Cb 0.05 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2jgj n LEU 463 CO 0.06 0.22 -0.12 0.59 -1.33 0.00 0.00 177.39 176.81 2jgj n ASN 464 N -1.29 -3.89 -4.78 -1.43 3.02 -1.06 -5.02 115.26 100.83 2jgj n ASN 464 Ca 0.06 -0.04 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 2jgj n ASN 464 Cb 0.35 -3.03 -0.06 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.66 3.62 0.89 3.10 2.02 -1.26 -4.86 117.35 118.19 2jgj s TYR 465 Ca 0.04 1.76 -0.11 0.00 -0.37 0.00 0.00 57.07 58.39 2jgj s TYR 465 Cb -0.02 -3.00 0.13 0.00 -0.40 0.00 0.00 41.96 38.68 2jgj s TYR 465 CO 0.04 -0.01 1.15 0.95 -1.57 0.00 0.00 175.55 176.12 2jgj s THR 466 N -1.56 2.15 0.36 -0.71 -4.23 -1.26 -4.83 115.64 105.56 2jgj s THR 466 Ca 0.51 0.05 0.15 0.00 -1.18 0.00 0.00 61.69 61.22 2jgj s THR 466 Cb -0.21 -2.16 0.12 0.00 1.34 0.00 0.00 72.50 71.59 2jgj s THR 466 CO 0.27 -0.06 1.85 0.00 -0.54 0.00 0.00 174.62 176.13 2jgj h THR 467 N -1.68 1.14 -0.45 3.99 1.03 -1.97 -2.16 112.91 112.81 2jgj h THR 467 Ca -0.44 -1.21 -0.14 0.00 -0.01 0.00 0.00 66.41 64.62 2jgj h THR 467 Cb 1.27 1.67 -0.01 0.00 -1.07 0.00 0.00 68.15 70.01 2jgj h THR 467 CO 0.43 0.33 -0.26 -0.33 -0.01 0.00 0.00 175.52 175.68 2jgj h GLU 468 N 0.00 0.97 -0.38 0.00 3.07 -2.00 -2.84 114.58 113.40 2jgj h GLU 468 Ca -0.00 -0.44 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 2jgj h GLU 468 Cb 0.64 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 2jgj h GLU 468 CO 0.04 1.11 0.16 0.93 -1.40 0.00 0.00 179.01 179.85 2jgj h GLU 469 N 0.83 0.54 -0.40 2.33 5.08 -1.76 0.72 114.58 121.92 2jgj h GLU 469 Ca 0.10 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2jgj h GLU 469 Cb 0.84 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2jgj h GLU 469 CO 0.07 0.44 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.30 2jgj h ARG 470 N 0.54 0.79 -0.49 2.33 1.12 -1.38 -0.06 114.38 117.23 2jgj h ARG 470 Ca 0.13 -0.32 -0.08 0.00 -1.11 0.00 0.00 59.98 58.60 2jgj h ARG 470 Cb 0.10 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.01 2jgj h ARG 470 CO -0.01 0.94 -0.01 0.82 -3.11 0.00 0.00 179.97 178.59 2jgj h ILE 471 N 0.60 1.26 -0.10 1.20 2.04 -1.19 -1.97 117.51 119.36 2jgj h ILE 471 Ca 0.10 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.90 2jgj h ILE 471 Cb 0.67 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2jgj h ILE 471 CO 0.05 0.38 -0.09 0.15 0.00 0.00 0.00 178.15 178.64 2jgj h PHE 472 N 0.72 -0.21 -0.81 1.37 3.57 -0.81 -2.17 116.94 118.60 2jgj h PHE 472 Ca 0.14 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.77 2jgj h PHE 472 Cb 0.53 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 2jgj h PHE 472 CO 0.04 -0.13 0.42 0.00 -2.23 0.00 0.00 178.31 176.40 2jgj h ALA 473 N 0.97 1.17 -0.78 2.41 0.00 -0.78 -1.31 119.26 120.94 2jgj h ALA 473 Ca 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2jgj h ALA 473 Cb 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2jgj h ALA 473 CO -0.16 -0.04 0.32 1.96 0.00 0.00 0.00 179.25 181.33 2jgj h GLN 474 N 0.65 1.16 -0.47 0.00 4.20 -1.06 -1.16 115.11 118.43 2jgj h GLN 474 Ca 0.42 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.94 2jgj h GLN 474 Cb 0.51 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2jgj h GLN 474 CO -0.32 0.93 0.29 0.00 -0.67 0.00 0.00 178.83 179.06 2jgj h ARG 475 N 1.13 0.57 -0.25 1.46 3.08 -0.64 -2.58 114.38 117.15 2jgj h ARG 475 Ca 0.26 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 2jgj h ARG 475 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2jgj h ARG 475 CO -0.02 0.38 -0.46 -0.07 -1.07 0.00 0.00 179.97 178.72 2jgj h LEU 476 N 0.58 0.70 -1.54 3.04 3.38 -0.60 -1.83 115.31 119.04 2jgj h LEU 476 Ca 0.18 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2jgj h LEU 476 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2jgj h LEU 476 CO -0.07 1.06 -0.18 0.24 0.09 0.00 0.00 178.44 179.58 2jgj h MET 477 N 0.52 0.07 -0.14 1.13 2.86 -1.19 -1.68 114.93 116.50 2jgj h MET 477 Ca 0.03 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 2jgj h MET 477 Cb 1.00 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.65 2jgj h MET 477 CO 0.09 0.25 -0.49 0.87 1.06 0.00 0.00 176.91 178.69 2jgj h LYS 478 N 0.06 0.58 -0.04 1.72 1.79 -1.00 -0.94 116.57 118.74 2jgj h LYS 478 Ca 0.01 -0.44 -0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2jgj h LYS 478 Cb 0.36 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2jgj h LYS 478 CO 0.02 1.06 0.02 1.88 -1.08 0.00 0.00 179.45 181.36 2jgj h TYR 479 N 0.22 0.06 -0.04 -1.35 0.05 -1.03 0.17 116.97 115.04 2jgj h TYR 479 Ca -0.02 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2jgj h TYR 479 Cb 1.12 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.84 2jgj h TYR 479 CO 0.10 0.15 0.02 -1.49 -1.05 0.00 0.00 178.16 175.90 2jgj h TRP 480 N -0.05 0.06 -0.01 4.88 6.55 -1.35 0.19 115.95 126.21 2jgj h TRP 480 Ca 0.01 -0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.71 2jgj h TRP 480 Cb 0.12 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.38 2jgj h TRP 480 CO -0.04 0.10 -0.68 1.79 -1.05 0.00 0.00 178.44 178.56 2jgj h THR 481 N -0.00 1.48 -0.41 1.49 1.35 -1.17 0.49 112.91 116.13 2jgj h THR 481 Ca 0.02 -2.30 -0.04 0.00 -0.55 0.00 0.00 66.41 63.53 2jgj h THR 481 Cb 0.06 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2jgj h THR 481 CO -0.00 0.66 0.09 0.78 -0.25 0.00 0.00 175.52 176.80 2jgj h ASN 482 N 0.03 0.63 -0.53 5.36 2.35 -0.46 0.19 115.58 123.15 2jgj h ASN 482 Ca -0.01 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.55 2jgj h ASN 482 Cb 1.21 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.37 2jgj h ASN 482 CO 0.09 0.70 0.28 0.15 -1.65 0.00 0.00 177.43 177.00 2jgj h PHE 483 N 0.53 0.51 -0.72 1.19 3.57 -0.45 -0.72 116.94 120.85 2jgj h PHE 483 Ca 0.13 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2jgj h PHE 483 Cb 0.32 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 2jgj h PHE 483 CO 0.02 0.25 0.46 0.00 -2.23 0.00 0.00 178.31 176.82 2jgj h ALA 484 N 1.28 0.93 -0.51 2.41 0.00 -0.60 0.32 119.26 123.09 2jgj h ALA 484 Ca 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2jgj h ALA 484 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2jgj h ALA 484 CO -0.16 0.27 0.03 0.00 0.00 0.00 0.00 179.25 179.40 2jgj h ARG 485 N 0.92 0.89 0.00 0.00 3.08 -0.56 -3.40 114.38 115.30 2jgj h ARG 485 Ca 0.28 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jgj h ARG 485 Cb -0.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2jgj h ARG 485 CO -0.09 0.90 -0.34 0.25 -1.07 0.00 0.00 179.97 179.62 2jgj n THR 486 N -4.34 0.00 -0.67 2.04 -2.24 -0.31 -5.01 114.28 103.76 2jgj n THR 486 Ca 0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2jgj n THR 486 Cb 0.30 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.07 0.79 2.86 3.38 0.00 0.11 -5.02 105.19 108.38 2jgj n GLY 487 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.74 1.63 0.00 1.61 -1.08 -1.26 -4.82 116.67 110.01 2jgj s ASP 488 Ca 0.00 -0.18 0.23 0.00 -0.52 0.00 0.00 52.55 52.08 2jgj s ASP 488 Cb 0.00 -0.59 1.04 0.00 -1.46 0.00 0.00 42.92 41.91 2jgj s ASP 488 CO 0.00 -0.12 1.75 -0.81 0.52 0.00 0.00 175.17 176.51 2jgj n PRO 489 N 4.72 0.10 -2.58 4.34 -0.04 -1.26 -2.84 135.00 137.44 2jgj n PRO 489 Ca -0.14 0.09 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 2jgj n PRO 489 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 2jgj n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jgj s ASN 490 N -2.87 7.41 -0.33 3.54 0.01 -1.26 -4.34 114.94 117.10 2jgj s ASN 490 Ca 0.15 2.13 -0.28 0.00 -0.71 0.00 0.00 52.86 54.14 2jgj s ASN 490 Cb 0.15 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 2jgj s ASN 490 CO 0.40 -0.04 1.92 -0.62 -1.51 0.00 0.00 177.10 177.25 2jgj s ASP 491 N -0.88 5.71 0.00 -1.22 -1.08 -1.26 -4.86 116.67 113.08 2jgj s ASP 491 Ca 0.44 1.37 0.24 0.00 -0.52 0.00 0.00 52.55 54.08 2jgj s ASP 491 Cb -0.29 -2.52 1.18 0.00 -1.46 0.00 0.00 42.92 39.83 2jgj s ASP 491 CO 0.37 -1.84 1.79 -0.81 0.52 0.00 0.00 175.17 175.19 2jgj n PRO 492 N 8.56 0.30 -2.49 4.34 -0.04 -1.26 -2.32 135.00 142.09 2jgj n PRO 492 Ca 0.25 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.61 2jgj n PRO 492 Cb 0.47 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2jgj n PRO 492 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jgj n ARG 493 N -1.31 2.54 -3.30 0.54 1.74 -1.26 -4.97 116.66 110.64 2jgj n ARG 493 Ca 0.11 -3.91 -0.06 0.00 -0.77 0.00 0.00 57.85 53.22 2jgj n ARG 493 Cb 0.20 -1.87 -0.06 0.00 -1.02 0.00 0.00 32.46 29.71 2jgj n ARG 493 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jgj s ASP 494 N -3.49 -0.11 0.58 0.55 2.15 -0.98 -5.15 116.67 110.21 2jgj s ASP 494 Ca 0.39 0.32 -0.16 0.00 0.43 0.00 0.00 52.55 53.53 2jgj s ASP 494 Cb 0.40 1.35 -0.05 0.00 -0.30 0.00 0.00 42.92 44.32 2jgj s ASP 494 CO -0.05 -0.30 1.04 -0.55 -0.17 0.00 0.00 175.17 175.15 2jgj s SER 495 N 2.61 5.95 0.26 -0.34 0.15 -1.26 -4.81 113.70 116.27 2jgj s SER 495 Ca 0.14 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.57 2jgj s SER 495 Cb -0.15 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2jgj s SER 495 CO -0.18 -1.05 0.00 1.17 1.20 0.00 0.00 173.24 174.38 2jgj n LYS 496 N -1.92 -3.64 0.12 5.44 3.00 -1.26 -5.09 118.16 114.81 2jgj n LYS 496 Ca 0.08 2.63 0.00 0.00 -0.00 0.00 0.00 58.31 61.02 2jgj n LYS 496 Cb 0.53 -2.88 0.00 0.00 0.00 0.00 0.00 35.03 32.68 2jgj n LYS 496 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jgj n SER 497 N 0.28 -0.51 -4.65 3.14 7.64 -1.26 -4.92 113.62 113.34 2jgj n SER 497 Ca 0.00 0.41 -0.29 0.00 1.01 0.00 0.00 58.87 60.01 2jgj n SER 497 Cb 0.00 0.65 0.18 0.00 -1.01 0.00 0.00 64.21 64.03 2jgj n SER 497 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2jgj s PRO 498 N -2.00 0.40 0.49 1.43 0.04 -1.26 -4.48 135.00 129.62 2jgj s PRO 498 Ca 0.00 0.71 -0.22 0.00 0.04 0.00 0.00 61.00 61.53 2jgj s PRO 498 Cb 0.00 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.76 2jgj s PRO 498 CO 0.00 -2.80 1.17 -0.65 0.04 0.00 0.00 177.00 174.76 2jgj s GLN 499 N -4.84 3.58 -0.53 4.56 -1.52 -1.26 -4.85 119.66 114.79 2jgj s GLN 499 Ca 0.65 1.76 -0.26 0.00 -1.95 0.00 0.00 55.36 55.56 2jgj s GLN 499 Cb -0.20 -2.26 0.03 0.00 -0.22 0.00 0.00 33.01 30.36 2jgj s GLN 499 CO 0.59 -0.70 1.05 -0.46 -0.25 0.00 0.00 175.29 175.52 2jgj s TRP 500 N -1.60 2.76 0.36 0.91 -0.11 -1.26 -4.94 118.94 115.06 2jgj s TRP 500 Ca 0.67 0.31 -0.14 0.00 1.22 0.00 0.00 56.10 58.16 2jgj s TRP 500 Cb -0.28 -4.26 -0.08 0.00 -1.50 0.00 0.00 33.47 27.35 2jgj s TRP 500 CO 0.33 -1.37 0.77 -1.25 -4.62 0.00 0.00 176.95 170.81 2jgj s PRO 501 N 4.33 3.95 0.40 5.86 0.04 -1.26 -4.88 135.00 143.44 2jgj s PRO 501 Ca 0.38 0.66 -0.26 0.00 0.04 0.00 0.00 61.00 61.82 2jgj s PRO 501 Cb -0.10 -2.39 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 2jgj s PRO 501 CO 0.24 0.07 1.25 -2.30 0.04 0.00 0.00 177.00 176.30 2jgj n PRO 502 N -0.71 1.93 -2.86 0.56 -0.02 -1.26 -4.71 135.00 127.93 2jgj n PRO 502 Ca 0.04 0.68 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 2jgj n PRO 502 Cb 0.53 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.18 3.93 0.04 6.00 6.14 0.28 -4.52 117.35 128.05 2jgj s TYR 503 Ca 0.60 1.78 -0.10 0.00 0.64 0.00 0.00 57.07 59.99 2jgj s TYR 503 Cb -0.53 -2.88 0.00 0.00 0.42 0.00 0.00 41.96 38.98 2jgj s TYR 503 CO 0.59 0.47 0.20 0.95 0.64 0.00 0.00 175.55 178.40 2jgj s THR 504 N -1.20 0.11 0.20 4.34 -4.23 -1.26 -4.35 115.64 109.25 2jgj s THR 504 Ca 0.39 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 2jgj s THR 504 Cb -0.24 -0.93 -0.06 0.00 1.34 0.00 0.00 72.50 72.61 2jgj s THR 504 CO 0.29 -0.49 1.51 0.71 -0.54 0.00 0.00 174.62 176.10 2jgj h THR 505 N 3.41 1.34 0.23 3.99 1.35 -1.92 0.29 112.91 121.61 2jgj h THR 505 Ca -0.32 -1.88 -0.01 0.00 -0.55 0.00 0.00 66.41 63.65 2jgj h THR 505 Cb 1.19 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2jgj h THR 505 CO 0.48 0.57 -0.13 0.00 -0.25 0.00 0.00 175.52 176.19 2jgj h ALA 506 N 1.03 -1.03 0.00 6.62 0.00 -1.99 -3.37 119.26 120.52 2jgj h ALA 506 Ca -0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 2jgj h ALA 506 Cb 1.12 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2jgj h ALA 506 CO 0.10 -1.01 -1.17 0.00 0.00 0.00 0.00 179.25 177.18 2jgj h ALA 507 N -1.73 0.59 -5.02 0.00 0.00 -1.97 -3.48 119.26 107.64 2jgj h ALA 507 Ca -0.03 -0.95 -0.40 0.00 0.00 0.00 0.00 54.91 53.53 2jgj h ALA 507 Cb 0.27 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jgj h ALA 507 CO 0.04 1.14 -0.61 1.04 0.00 0.00 0.00 179.25 180.86 2jgj n GLN 508 N -3.15 -4.70 -2.58 0.00 6.02 0.10 -4.48 117.38 108.59 2jgj n GLN 508 Ca -0.06 0.74 -0.40 0.00 -0.01 0.00 0.00 57.00 57.27 2jgj n GLN 508 Cb 0.91 -5.58 -0.05 0.00 1.02 0.00 0.00 30.24 26.54 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 -5.91 4.70 0.09 -1.09 -0.21 -1.26 -1.22 119.66 114.75 2jgj s GLN 509 Ca 0.38 1.68 -0.16 0.00 0.02 0.00 0.00 55.36 57.29 2jgj s GLN 509 Cb -0.18 -3.24 0.03 0.00 1.00 0.00 0.00 33.01 30.62 2jgj s GLN 509 CO 0.47 0.28 0.37 1.52 -2.12 0.00 0.00 175.29 175.81 2jgj s TYR 510 N -0.97 -0.17 0.11 0.91 1.13 -0.13 -3.87 117.35 114.37 2jgj s TYR 510 Ca 0.44 -0.06 0.08 0.00 -1.41 0.00 0.00 57.07 56.12 2jgj s TYR 510 Cb -0.29 0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.72 2jgj s TYR 510 CO 0.37 -0.62 -0.11 0.14 -2.51 0.00 0.00 175.55 172.81 2jgj s VAL 511 N -3.27 3.26 -0.07 -3.49 -7.23 -0.82 -0.26 120.40 108.52 2jgj s VAL 511 Ca -0.00 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 58.61 2jgj s VAL 511 Cb 0.01 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2jgj s VAL 511 CO -0.08 0.09 0.61 -0.94 -0.31 0.00 0.00 175.10 174.47 2jgj s SER 512 N -2.26 6.90 -0.32 4.85 1.04 -0.95 -0.99 113.70 121.96 2jgj s SER 512 Ca 0.21 1.08 -0.11 0.00 0.48 0.00 0.00 55.95 57.61 2jgj s SER 512 Cb -0.11 -2.37 -0.01 0.00 0.10 0.00 0.00 66.02 63.64 2jgj s SER 512 CO 0.13 -0.03 0.18 -0.76 0.98 0.00 0.00 173.24 173.74 2jgj s LEU 513 N 0.52 4.27 0.00 2.42 1.43 0.67 -4.06 118.68 123.93 2jgj s LEU 513 Ca 0.33 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2jgj s LEU 513 Cb -0.17 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.01 2jgj s LEU 513 CO 0.16 -0.22 0.00 -0.46 0.23 0.00 0.00 176.35 176.06 2jgj n ASN 514 N 5.02 0.00 0.12 2.29 0.23 -1.26 -0.44 115.26 121.21 2jgj n ASN 514 Ca -0.13 -0.97 -0.02 0.00 -0.53 0.00 0.00 54.58 52.93 2jgj n ASN 514 Cb 0.49 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.39 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 0.13-10.15 -4.53 3.38 -1.96 -3.43 115.31 98.75 2jgj h LEU 515 Ca 0.00 -0.07 -0.50 0.00 0.09 0.00 0.00 57.88 57.40 2jgj h LEU 515 Cb 0.00 -0.04 0.08 0.00 0.09 0.00 0.00 40.66 40.80 2jgj h LEU 515 CO 0.00 0.64 0.40 -0.54 0.09 0.00 0.00 178.44 179.02 2jgj s LYS 516 N -3.87 3.10 0.78 1.13 1.02 -1.26 -5.01 119.74 115.62 2jgj s LYS 516 Ca -0.03 1.45 -0.15 0.00 0.02 0.00 0.00 55.97 57.26 2jgj s LYS 516 Cb 0.13 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.47 2jgj s LYS 516 CO 0.77 -1.02 0.80 -2.30 -0.92 0.00 0.00 175.35 172.67 2jgj n PRO 517 N -1.91 0.24 -1.50 -1.68 -0.02 -1.26 -4.87 135.00 124.00 2jgj n PRO 517 Ca 0.11 0.14 -0.55 0.00 -2.02 0.00 0.00 63.50 61.17 2jgj n PRO 517 Cb 0.52 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.55 0.08 -4.14 2.45 4.77 -1.26 -4.96 117.00 112.38 2jgj n LEU 518 Ca 0.11 1.15 -0.27 0.00 -0.03 0.00 0.00 56.01 56.97 2jgj n LEU 518 Cb 0.50 -0.98 -0.16 0.00 -2.33 0.00 0.00 43.42 40.45 2jgj n LEU 518 CO 0.49 -1.97 -0.51 -0.70 -1.33 0.00 0.00 177.39 173.38 2jgj s GLU 519 N -0.19 1.92 -0.23 3.23 2.12 -1.26 -4.46 118.70 119.84 2jgj s GLU 519 Ca 0.83 -0.64 -0.18 0.00 0.36 0.00 0.00 54.97 55.34 2jgj s GLU 519 Cb -1.13 -1.64 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 2jgj s GLU 519 CO 0.55 0.24 0.52 0.08 -0.54 0.00 0.00 175.26 176.11 2jgj s VAL 520 N 0.09 5.09 0.32 3.70 1.01 -1.26 -2.25 120.40 127.10 2jgj s VAL 520 Ca -0.06 0.93 0.09 0.00 0.00 0.00 0.00 61.98 62.95 2jgj s VAL 520 Cb -0.12 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2jgj s VAL 520 CO 0.03 0.13 0.01 -0.13 0.00 0.00 0.00 175.10 175.14 2jgj s ARG 521 N 1.94 2.11 -0.10 2.72 0.52 0.64 -4.95 118.95 121.82 2jgj s ARG 521 Ca 0.23 -1.68 0.02 0.00 -0.52 0.00 0.00 55.73 53.78 2jgj s ARG 521 Cb -0.15 -1.98 0.01 0.00 0.52 0.00 0.00 34.95 33.35 2jgj s ARG 521 CO 0.09 0.19 -0.15 1.03 0.02 0.00 0.00 175.30 176.48 2jgj s ARG 522 N -3.71 2.16 0.00 3.54 0.52 -1.26 -0.96 118.95 119.24 2jgj s ARG 522 Ca 0.34 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 2jgj s ARG 522 Cb -0.02 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.63 2jgj s ARG 522 CO 0.19 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.88 2jgj n GLY 523 N 4.15 -1.44 3.34 -3.53 0.00 -0.36 -4.93 105.19 102.41 2jgj n GLY 523 Ca -0.19 -0.87 -0.46 0.00 0.00 0.00 0.00 46.02 44.50 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 6.57 -1.30 0.99 2.96 -1.26 -4.38 118.68 122.25 2jgj s LEU 524 Ca 0.00 -2.83 -0.01 0.00 -0.22 0.00 0.00 54.13 51.07 2jgj s LEU 524 Cb 0.00 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.47 2jgj s LEU 524 CO 0.00 -0.55 0.78 0.54 -1.32 0.00 0.00 176.35 175.80 2jgj n ARG 525 N 3.90 -5.32 -0.18 1.98 5.12 -1.26 -4.76 116.66 116.14 2jgj n ARG 525 Ca 0.17 0.66 -0.07 0.00 -1.93 0.00 0.00 57.85 56.68 2jgj n ARG 525 Cb 0.46 -5.33 0.02 0.00 -1.16 0.00 0.00 32.46 26.44 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 0.88 0.67 -0.26 7.54 0.00 -1.94 0.42 119.26 126.58 2jgj h ALA 526 Ca -0.60 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 2jgj h ALA 526 Cb 1.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jgj h ALA 526 CO 0.56 0.18 -0.18 1.96 0.00 0.00 0.00 179.25 181.78 2jgj h GLN 527 N 0.69 0.58 -0.23 0.00 1.08 -1.97 -2.10 115.11 113.18 2jgj h GLN 527 Ca 0.18 -0.28 -0.18 0.00 -1.45 0.00 0.00 58.65 56.92 2jgj h GLN 527 Cb 0.05 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2jgj h GLN 527 CO -0.03 0.86 -0.59 1.15 -0.95 0.00 0.00 178.83 179.26 2jgj h THR 528 N 0.30 1.29 0.00 -0.54 2.02 -1.86 -2.90 112.91 111.23 2jgj h THR 528 Ca 0.05 -1.81 -0.07 0.00 0.77 0.00 0.00 66.41 65.35 2jgj h THR 528 Cb 0.71 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2jgj h THR 528 CO 0.05 0.58 -0.35 0.00 0.37 0.00 0.00 175.52 176.16 2jgj h ALA 530 N 1.65 1.28 0.08 0.00 0.00 -1.22 0.77 119.26 121.82 2jgj h ALA 530 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jgj h ALA 530 Cb 0.81 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jgj h ALA 530 CO 0.05 0.66 -0.04 0.35 0.00 0.00 0.00 179.25 180.26 2jgj h PHE 531 N 1.33 -0.10 -0.35 0.00 3.57 -1.16 -0.29 116.94 119.93 2jgj h PHE 531 Ca 0.35 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 2jgj h PHE 531 Cb -0.13 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2jgj h PHE 531 CO 0.00 0.01 -0.25 -1.49 -2.23 0.00 0.00 178.31 174.35 2jgj h TRP 532 N -0.19 0.93 0.00 0.41 4.06 -1.23 -0.45 115.95 119.49 2jgj h TRP 532 Ca -0.01 -0.26 -0.12 0.00 2.06 0.00 0.00 58.89 60.56 2jgj h TRP 532 Cb 0.16 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 2jgj h TRP 532 CO -0.05 1.02 -1.08 -0.91 -3.56 0.00 0.00 178.44 173.87 2jgj h ASN 533 N 0.58 0.00 0.00 -3.49 2.35 0.53 -3.39 115.58 112.16 2jgj h ASN 533 Ca 0.07 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 2jgj h ASN 533 Cb 0.82 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 2jgj h ASN 533 CO 0.07 0.45 -1.34 0.54 -1.65 0.00 0.00 177.43 175.50 2jgj n ARG 534 N -2.95 0.14 -0.08 0.81 1.74 -0.14 -4.77 116.66 111.41 2jgj n ARG 534 Ca -0.05 0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 2jgj n ARG 534 Cb 0.76 -0.91 -0.08 0.00 -1.02 0.00 0.00 32.46 31.22 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 -0.12 0.00 -0.66 -1.55 3.57 -1.33 -3.36 116.94 113.48 2jgj h PHE 535 Ca -0.14 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.49 2jgj h PHE 535 Cb 1.17 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.81 2jgj h PHE 535 CO -0.01 0.74 0.13 1.25 -2.23 0.00 0.00 178.31 178.20 2jgj h LEU 536 N -1.00 -0.03 -0.96 0.59 5.85 -1.28 -0.50 115.31 117.98 2jgj h LEU 536 Ca -0.11 0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.90 2jgj h LEU 536 Cb 0.79 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.91 2jgj h LEU 536 CO -0.06 -0.03 0.57 -0.65 -0.34 0.00 0.00 178.44 177.92 2jgj h PRO 537 N 0.24 0.77 -0.00 5.25 0.11 -1.76 -1.03 132.00 135.59 2jgj h PRO 537 Ca 0.36 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.34 2jgj h PRO 537 Cb 0.57 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2jgj h PRO 537 CO -0.47 0.51 -0.37 0.87 -0.21 0.00 0.00 178.00 178.33 2jgj h LYS 538 N 0.80 0.00 -0.11 1.05 1.57 -1.26 -0.84 116.57 117.78 2jgj h LYS 538 Ca 0.52 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.15 2jgj h LYS 538 Cb 0.70 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2jgj h LYS 538 CO -0.34 0.37 -0.58 1.25 -0.57 0.00 0.00 179.45 179.58 2jgj h LEU 539 N 0.00 0.38 0.15 2.94 5.85 -0.57 -3.04 115.31 121.02 2jgj h LEU 539 Ca -0.00 -0.21 -0.32 0.00 0.84 0.00 0.00 57.88 58.19 2jgj h LEU 539 Cb 0.66 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2jgj h LEU 539 CO 0.05 0.87 -1.63 -0.07 -0.34 0.00 0.00 178.44 177.32 2jgj h LEU 540 N 0.26 0.49 -0.17 2.25 3.38 -1.37 -3.32 115.31 116.82 2jgj h LEU 540 Ca -0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2jgj h LEU 540 Cb 1.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2jgj h LEU 540 CO 0.10 1.72 0.00 -1.54 0.09 0.00 0.00 178.44 178.81 2jgj n SER 541 N -3.73 0.09 -0.32 -0.43 3.41 -0.33 -0.09 113.62 112.22 2jgj n SER 541 Ca -0.26 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 2jgj n SER 541 Cb 0.99 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 2jgj n SER 541 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jgj n ALA 542 N -1.54 3.36 -2.02 7.33 0.00 -1.15 -4.99 120.51 121.51 2jgj n ALA 542 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2jgj n ALA 542 Cb 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2jgj n ALA 542 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jgj n THR 543 N -0.31 0.00 0.00 0.00 -1.04 0.88 -5.11 114.28 108.69 2jgj n THR 543 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2jgj n THR 543 Cb 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2jgj n THR 543 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43