#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgm n GLY 2 N 0.00 1.13 0.01 -1.84 0.00 -1.26 -3.82 105.19 99.41 2jgm n GLY 2 Ca 0.00 0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.56 2jgm n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgm n ARG 3 N 0.00 0.03 -1.22 1.61 3.00 -1.26 -4.97 116.66 113.86 2jgm n ARG 3 Ca 0.00 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.85 57.52 2jgm n ARG 3 Cb 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 32.46 31.08 2jgm n ARG 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2jgm s GLU 4 N -2.98 1.68 -0.06 5.56 2.02 -1.25 -4.96 118.70 118.72 2jgm s GLU 4 Ca 0.12 0.98 -0.29 0.00 0.02 0.00 0.00 54.97 55.79 2jgm s GLU 4 Cb 0.18 -1.85 -0.07 0.00 0.10 0.00 0.00 34.13 32.50 2jgm s GLU 4 CO 0.69 -1.99 1.88 0.34 0.02 0.00 0.00 175.26 176.20 2jgm s ASP 5 N -3.40 6.34 0.36 -0.19 -1.08 -1.26 -4.88 116.67 112.56 2jgm s ASP 5 Ca 0.62 2.29 0.27 0.00 -0.52 0.00 0.00 52.55 55.21 2jgm s ASP 5 Cb -0.18 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 39.99 2jgm s ASP 5 CO 0.57 -1.19 1.80 1.55 0.52 0.00 0.00 175.17 178.41 2jgm h PRO 6 N 11.05 0.00 -0.00 4.34 0.13 -1.95 -2.66 132.00 142.90 2jgm h PRO 6 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jgm h PRO 6 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jgm h PRO 6 CO 0.96 0.00 -0.00 0.94 -0.23 0.00 0.00 178.00 179.67 2jgm n GLN 7 N -2.46 0.91 -0.09 0.86 -0.06 -1.26 -3.81 117.38 111.48 2jgm n GLN 7 Ca 0.00 -0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.04 2jgm n GLN 7 Cb 0.17 -1.50 0.05 0.00 -4.06 0.00 0.00 30.24 24.90 2jgm n GLN 7 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2jgm n LEU 8 N -1.04 1.62 -4.22 1.69 4.77 -1.00 -4.78 117.00 114.04 2jgm n LEU 8 Ca 0.22 -2.01 -0.34 0.00 -0.03 0.00 0.00 56.01 53.86 2jgm n LEU 8 Cb 0.13 -0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 2jgm n LEU 8 CO 0.19 0.48 -0.43 -0.76 -1.33 0.00 0.00 177.39 175.54 2jgm s LEU 9 N -1.42 2.85 0.13 2.23 1.43 -1.25 0.10 118.68 122.75 2jgm s LEU 9 Ca 0.11 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2jgm s LEU 9 Cb 0.10 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2jgm s LEU 9 CO 0.01 -0.06 -0.16 -0.69 0.23 0.00 0.00 176.35 175.68 2jgm s VAL 10 N 1.37 1.47 -0.10 -1.59 1.01 -1.02 -5.02 120.40 116.51 2jgm s VAL 10 Ca 0.03 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.28 2jgm s VAL 10 Cb -0.15 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2jgm s VAL 10 CO -0.06 -0.36 -0.13 -0.60 0.00 0.00 0.00 175.10 173.95 2jgm s ARG 11 N -2.62 3.12 0.46 2.72 3.52 -1.26 -0.76 118.95 124.12 2jgm s ARG 11 Ca 0.10 -0.69 0.06 0.00 -0.13 0.00 0.00 55.73 55.07 2jgm s ARG 11 Cb -0.06 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.75 2jgm s ARG 11 CO 0.04 0.34 0.15 0.14 -0.81 0.00 0.00 175.30 175.16 2jgm s VAL 12 N 0.01 1.88 0.42 7.11 -7.23 0.87 -4.83 120.40 118.63 2jgm s VAL 12 Ca -0.04 -1.79 0.17 0.00 -1.81 0.00 0.00 61.98 58.51 2jgm s VAL 12 Cb -0.14 -2.67 0.37 0.00 0.56 0.00 0.00 36.38 34.50 2jgm s VAL 12 CO 0.04 0.00 1.88 -0.09 -0.31 0.00 0.00 175.10 176.62 2jgm h ARG 13 N 1.36 0.40 0.00 4.82 9.65 -1.95 0.34 114.38 129.01 2jgm h ARG 13 Ca -0.42 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2jgm h ARG 13 Cb 1.27 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2jgm h ARG 13 CO 0.71 0.27 0.00 0.41 2.80 0.00 0.00 179.97 184.15 2jgm n GLY 14 N -1.52 -1.53 0.00 2.80 0.00 -1.26 -4.88 105.19 98.81 2jgm n GLY 14 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2jgm n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgm n GLY 15 N 0.79 0.77 3.72 -0.02 0.00 0.12 -1.43 105.19 109.14 2jgm n GLY 15 Ca 0.04 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 2jgm n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jgm s GLN 16 N -1.72 4.21 0.08 1.61 -0.21 -1.25 -0.09 119.66 122.29 2jgm s GLN 16 Ca 0.00 -0.07 0.04 0.00 0.02 0.00 0.00 55.36 55.35 2jgm s GLN 16 Cb 0.00 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 2jgm s GLN 16 CO 0.00 0.25 0.01 -0.51 -2.12 0.00 0.00 175.29 172.92 2jgm s LEU 17 N 0.48 3.52 -0.18 2.90 1.43 0.06 0.13 118.68 127.02 2jgm s LEU 17 Ca 0.12 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2jgm s LEU 17 Cb -0.12 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.88 2jgm s LEU 17 CO 0.01 0.18 -0.19 -0.60 0.23 0.00 0.00 176.35 175.99 2jgm s ARG 18 N -2.28 3.02 0.00 1.70 3.52 0.11 -2.43 118.95 122.60 2jgm s ARG 18 Ca 0.26 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 2jgm s ARG 18 Cb -0.12 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2jgm s ARG 18 CO 0.18 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 2jgm n GLY 19 N 4.63 0.74 2.87 8.12 0.00 0.11 -0.48 105.19 121.18 2jgm n GLY 19 Ca -0.21 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 43.69 2jgm n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jgm s ILE 20 N 0.26 0.34 -0.56 -0.61 2.07 0.32 -4.80 121.20 118.22 2jgm s ILE 20 Ca 0.00 -0.04 -0.25 0.00 -1.41 0.00 0.00 60.65 58.94 2jgm s ILE 20 Cb 0.00 -0.38 0.04 0.00 0.13 0.00 0.00 42.46 42.25 2jgm s ILE 20 CO 0.00 0.16 1.02 -0.60 -1.91 0.00 0.00 174.94 173.62 2jgm s ARG 21 N 0.77 3.40 0.21 3.50 3.52 -1.26 -0.19 118.95 128.89 2jgm s ARG 21 Ca -0.09 -0.08 -0.02 0.00 -0.13 0.00 0.00 55.73 55.41 2jgm s ARG 21 Cb -0.12 -4.04 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 2jgm s ARG 21 CO -0.01 -1.54 0.42 -0.51 -0.81 0.00 0.00 175.30 172.85 2jgm s LEU 22 N 4.26 4.20 -0.11 -0.88 1.43 -0.21 -4.93 118.68 122.45 2jgm s LEU 22 Ca 0.35 0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.73 2jgm s LEU 22 Cb -0.11 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 2jgm s LEU 22 CO 0.21 -0.06 0.48 -0.75 0.23 0.00 0.00 176.35 176.47 2jgm s LYS 23 N -3.30 4.32 0.26 1.70 2.47 -1.26 -1.22 119.74 122.72 2jgm s LYS 23 Ca 0.40 0.47 0.11 0.00 -1.56 0.00 0.00 55.97 55.39 2jgm s LYS 23 Cb -0.11 -3.42 -0.05 0.00 -1.46 0.00 0.00 37.83 32.79 2jgm s LYS 23 CO 0.29 0.19 -0.17 0.00 0.16 0.00 0.00 175.35 175.82 2jgm s ALA 24 N 0.50 2.80 0.18 3.13 0.00 0.04 -4.91 121.76 123.50 2jgm s ALA 24 Ca 0.26 -1.79 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 2jgm s ALA 24 Cb -0.15 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2jgm s ALA 24 CO 0.11 0.30 1.55 -1.35 0.00 0.00 0.00 175.76 176.37 2jgm h PRO 25 N 2.35 -0.07 -0.83 0.00 0.11 -1.95 -2.48 132.00 129.12 2jgm h PRO 25 Ca -0.42 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.24 2jgm h PRO 25 Cb 1.25 0.02 -0.26 0.00 0.11 0.00 0.00 31.00 32.11 2jgm h PRO 25 CO 0.58 -0.05 0.46 0.41 -0.21 0.00 0.00 178.00 179.20 2jgm n GLY 26 N -1.34 4.82 0.00 -0.55 0.00 -1.26 -5.03 105.19 101.82 2jgm n GLY 26 Ca 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2jgm n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgm n GLY 27 N -1.11 0.94 3.90 -0.02 0.00 -0.94 -5.07 105.19 102.89 2jgm n GLY 27 Ca 0.53 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 2jgm n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jgm s PRO 28 N -1.13 3.68 0.23 1.61 0.04 -1.26 -0.78 135.00 137.39 2jgm s PRO 28 Ca 0.00 0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.23 2jgm s PRO 28 Cb 0.00 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 2jgm s PRO 28 CO 0.00 0.17 -0.10 0.14 0.04 0.00 0.00 177.00 177.26 2jgm s VAL 29 N -2.11 1.61 -0.15 -0.36 -7.23 -0.36 -3.73 120.40 108.07 2jgm s VAL 29 Ca 0.46 -2.16 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 2jgm s VAL 29 Cb -0.11 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 2jgm s VAL 29 CO 0.29 -0.47 0.17 -0.44 -0.31 0.00 0.00 175.10 174.35 2jgm s SER 30 N -3.36 6.35 -0.10 4.85 0.01 0.10 -1.04 113.70 120.51 2jgm s SER 30 Ca 0.25 0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.94 2jgm s SER 30 Cb 0.02 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 64.15 2jgm s SER 30 CO 0.09 0.26 -0.18 0.00 0.41 0.00 0.00 173.24 173.82 2jgm s ALA 31 N -0.23 1.78 -0.38 1.44 0.00 0.73 -1.01 121.76 124.08 2jgm s ALA 31 Ca 0.13 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2jgm s ALA 31 Cb -0.12 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 22.32 2jgm s ALA 31 CO 0.02 0.10 0.15 -0.06 0.00 0.00 0.00 175.76 175.97 2jgm s PHE 32 N 0.68 3.46 -0.09 0.00 0.40 0.36 -0.52 117.98 122.27 2jgm s PHE 32 Ca -0.13 -2.13 0.00 0.00 -0.60 0.00 0.00 56.93 54.07 2jgm s PHE 32 Cb -0.16 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 2jgm s PHE 32 CO 0.03 -0.90 -0.08 -0.51 0.70 0.00 0.00 175.22 174.46 2jgm s LEU 33 N 1.21 3.08 -0.49 -0.37 1.43 0.87 -0.04 118.68 124.37 2jgm s LEU 33 Ca 0.04 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2jgm s LEU 33 Cb -0.22 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2jgm s LEU 33 CO -0.02 0.30 0.16 0.61 0.23 0.00 0.00 176.35 177.62 2jgm n GLY 34 N 2.66 0.27 3.68 -3.19 0.00 -0.97 -3.68 105.19 103.96 2jgm n GLY 34 Ca -0.18 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2jgm n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgm s ILE 35 N -2.65 3.79 0.11 -0.61 1.01 -0.05 -4.77 121.20 118.03 2jgm s ILE 35 Ca 0.08 1.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.54 2jgm s ILE 35 Cb -0.03 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 2jgm s ILE 35 CO 0.10 -0.03 1.06 -2.16 0.00 0.00 0.00 174.94 173.91 2jgm s PRO 36 N 2.76 4.59 0.00 2.79 0.04 -1.26 -0.21 135.00 143.71 2jgm s PRO 36 Ca 0.64 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.32 2jgm s PRO 36 Cb -0.30 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 30.93 2jgm s PRO 36 CO 0.25 0.03 0.65 1.97 0.04 0.00 0.00 177.00 179.94 2jgm n PHE 37 N 3.03 0.00 -3.72 0.56 1.16 -1.06 -4.85 117.46 112.58 2jgm n PHE 37 Ca 0.04 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.51 2jgm n PHE 37 Cb 0.48 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.29 2jgm n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jgm s ALA 38 N -0.39 -0.74 0.26 1.98 0.00 -1.25 -3.15 121.76 118.47 2jgm s ALA 38 Ca 0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 2jgm s ALA 38 Cb 0.04 0.46 -0.10 0.00 0.00 0.00 0.00 23.12 23.52 2jgm s ALA 38 CO 0.06 -0.50 1.35 -1.21 0.00 0.00 0.00 175.76 175.45 2jgm s GLU 39 N -3.11 4.34 0.11 0.00 0.41 1.00 -4.55 118.70 116.90 2jgm s GLU 39 Ca -0.01 2.18 -0.33 0.00 -0.41 0.00 0.00 54.97 56.40 2jgm s GLU 39 Cb 0.01 -3.13 -0.12 0.00 -1.78 0.00 0.00 34.13 29.11 2jgm s GLU 39 CO -0.07 -0.28 1.72 -2.30 -0.49 0.00 0.00 175.26 173.85 2jgm n PRO 40 N 1.91 2.41 -0.93 0.39 -0.02 -1.26 -4.61 135.00 132.89 2jgm n PRO 40 Ca 0.04 0.87 -0.18 0.00 -2.02 0.00 0.00 63.50 62.22 2jgm n PRO 40 Cb 0.42 -2.70 -0.10 0.00 -0.02 0.00 0.00 33.50 31.09 2jgm n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jgm n PRO 41 N 4.70 2.16 -3.37 0.52 -0.04 -1.26 -4.90 135.00 132.82 2jgm n PRO 41 Ca 0.18 -1.21 -0.20 0.00 -0.04 0.00 0.00 63.50 62.24 2jgm n PRO 41 Cb 0.32 -2.18 -0.01 0.00 -0.04 0.00 0.00 33.50 31.59 2jgm n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jgm s VAL 42 N 1.77 2.68 0.00 0.52 -7.23 -1.26 -3.63 120.40 113.26 2jgm s VAL 42 Ca 0.57 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 2jgm s VAL 42 Cb 0.23 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2jgm s VAL 42 CO -0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2jgm n GLY 43 N -1.70 3.43 0.34 2.32 0.00 -1.26 -0.66 105.19 107.67 2jgm n GLY 43 Ca 0.05 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.17 2jgm n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgm h SER 44 N 0.00 0.00 0.36 1.61 4.64 -1.94 -1.62 113.55 116.61 2jgm h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jgm h SER 44 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jgm h SER 44 CO 0.00 0.00 -0.16 0.54 -0.87 0.00 0.00 176.83 176.34 2jgm n ARG 45 N -2.95 0.66 -1.71 4.77 1.74 0.17 -4.89 116.66 114.45 2jgm n ARG 45 Ca -0.01 -0.28 -0.42 0.00 -0.77 0.00 0.00 57.85 56.36 2jgm n ARG 45 Cb 0.40 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 2jgm n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2jgm n ARG 46 N -0.93 2.22 -0.50 5.56 0.63 -0.61 -1.73 116.66 121.30 2jgm n ARG 46 Ca 0.13 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 2jgm n ARG 46 Cb 0.30 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 30.81 2jgm n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jgm n PHE 47 N 0.56 0.00 -4.00 -0.14 3.72 -1.26 -4.93 117.46 111.41 2jgm n PHE 47 Ca 0.05 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.20 2jgm n PHE 47 Cb 0.36 -0.41 -0.04 0.00 -0.94 0.00 0.00 39.48 38.46 2jgm n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jgm s MET 48 N -0.19 3.24 0.72 -1.08 -1.94 -0.71 -4.30 119.30 115.04 2jgm s MET 48 Ca 0.00 -0.74 -0.16 0.00 -1.71 0.00 0.00 55.69 53.07 2jgm s MET 48 Cb 0.00 -2.83 -0.05 0.00 2.01 0.00 0.00 34.83 33.97 2jgm s MET 48 CO 0.00 0.49 0.48 -2.30 -0.01 0.00 0.00 175.02 173.68 2jgm n PRO 49 N -0.68 0.29 -2.72 2.03 -0.02 -1.26 -4.94 135.00 127.70 2jgm n PRO 49 Ca -0.08 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 2jgm n PRO 49 Cb 0.55 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 2jgm n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jgm s PRO 50 N -2.66 4.52 -0.10 0.52 0.04 -1.26 -5.06 135.00 130.99 2jgm s PRO 50 Ca 0.65 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 2jgm s PRO 50 Cb -0.35 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2jgm s PRO 50 CO 0.59 0.20 0.10 -1.21 0.04 0.00 0.00 177.00 176.72 2jgm s GLU 51 N -2.09 3.31 0.52 4.56 2.02 -1.26 -5.01 118.70 120.75 2jgm s GLU 51 Ca 0.51 -0.22 -0.21 0.00 0.02 0.00 0.00 54.97 55.07 2jgm s GLU 51 Cb -0.20 -3.07 -0.08 0.00 0.10 0.00 0.00 34.13 30.88 2jgm s GLU 51 CO 0.26 0.75 0.89 -2.30 0.02 0.00 0.00 175.26 174.88 2jgm n PRO 52 N 1.95 1.00 -2.29 0.39 -0.02 -1.26 -0.00 135.00 134.76 2jgm n PRO 52 Ca -0.19 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 2jgm n PRO 52 Cb 0.54 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 2jgm n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jgm s LYS 53 N -2.32 4.23 0.24 -0.52 2.47 -1.19 -3.98 119.74 118.67 2jgm s LYS 53 Ca 0.69 1.84 -0.30 0.00 -1.56 0.00 0.00 55.97 56.64 2jgm s LYS 53 Cb -0.48 -3.81 -0.10 0.00 -1.46 0.00 0.00 37.83 31.98 2jgm s LYS 53 CO 0.52 -0.73 1.43 1.03 0.16 0.00 0.00 175.35 177.77 2jgm s ARG 54 N 3.53 4.28 0.42 4.03 0.52 -1.26 -4.86 118.95 125.61 2jgm s ARG 54 Ca 0.61 2.28 -0.24 0.00 -0.52 0.00 0.00 55.73 57.85 2jgm s ARG 54 Cb -0.26 -3.12 -0.10 0.00 0.52 0.00 0.00 34.95 31.99 2jgm s ARG 54 CO 0.20 -0.41 1.01 -2.30 0.02 0.00 0.00 175.30 173.82 2jgm n PRO 55 N 2.44 1.34 -3.90 3.54 -0.02 -1.26 -5.01 135.00 132.12 2jgm n PRO 55 Ca 0.07 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.82 2jgm n PRO 55 Cb 0.40 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 2jgm n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jgm s TRP 56 N -1.28 2.89 0.25 6.00 -2.14 -0.51 -5.04 118.94 119.11 2jgm s TRP 56 Ca 0.63 -0.29 0.09 0.00 2.66 0.00 0.00 56.10 59.19 2jgm s TRP 56 Cb -0.55 -1.71 -0.04 0.00 -3.10 0.00 0.00 33.47 28.06 2jgm s TRP 56 CO 0.57 0.26 0.02 -1.54 -2.66 0.00 0.00 176.95 173.59 2jgm s SER 57 N -3.95 4.68 0.10 -2.66 1.04 -1.26 -4.67 113.70 106.98 2jgm s SER 57 Ca 0.39 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2jgm s SER 57 Cb -0.05 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2jgm s SER 57 CO 0.26 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2jgm n GLY 58 N -0.83 -1.44 3.51 7.32 0.00 -1.26 -4.73 105.19 107.75 2jgm n GLY 58 Ca -0.07 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 2jgm n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgm s VAL 59 N 0.00 4.79 0.26 1.61 1.01 -1.26 -3.89 120.40 122.93 2jgm s VAL 59 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 2jgm s VAL 59 Cb 0.00 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 2jgm s VAL 59 CO 0.00 0.27 1.26 -0.22 0.00 0.00 0.00 175.10 176.42 2jgm s LEU 60 N 1.68 4.45 -0.45 3.92 2.96 0.35 -4.85 118.68 126.74 2jgm s LEU 60 Ca 0.07 2.48 -0.24 0.00 -0.22 0.00 0.00 54.13 56.22 2jgm s LEU 60 Cb -0.16 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 42.93 2jgm s LEU 60 CO 0.07 -0.45 0.82 -0.62 -1.32 0.00 0.00 176.35 174.86 2jgm s ASP 61 N -0.22 6.44 -0.73 3.68 -1.08 -1.26 0.09 116.67 123.59 2jgm s ASP 61 Ca 0.51 -0.02 0.02 0.00 -0.52 0.00 0.00 52.55 52.54 2jgm s ASP 61 Cb -0.37 -2.40 0.35 0.00 -1.46 0.00 0.00 42.92 39.04 2jgm s ASP 61 CO 0.44 -0.94 1.44 0.00 0.52 0.00 0.00 175.17 176.63 2jgm n ALA 62 N 6.82 5.51 0.27 3.66 0.00 0.37 -4.66 120.51 132.48 2jgm n ALA 62 Ca 0.03 -4.50 0.03 0.00 0.00 0.00 0.00 53.44 49.01 2jgm n ALA 62 Cb 0.48 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 2jgm n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jgm n THR 63 N -0.29 0.00 -4.10 0.00 -2.24 -1.24 -0.09 114.28 106.31 2jgm n THR 63 Ca 0.41 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 2jgm n THR 63 Cb 0.38 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.52 2jgm n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jgm s THR 64 N -1.33 0.71 0.45 4.28 -4.23 -1.26 -4.86 115.64 109.41 2jgm s THR 64 Ca 0.03 -1.24 -0.24 0.00 -1.18 0.00 0.00 61.69 59.06 2jgm s THR 64 Cb 0.05 -0.86 -0.07 0.00 1.34 0.00 0.00 72.50 72.95 2jgm s THR 64 CO 0.20 -0.40 1.31 -0.36 -0.54 0.00 0.00 174.62 174.83 2jgm s PHE 65 N -1.62 2.65 0.78 3.99 0.08 -1.26 -3.63 117.98 118.97 2jgm s PHE 65 Ca -0.05 1.40 -0.04 0.00 0.12 0.00 0.00 56.93 58.36 2jgm s PHE 65 Cb -0.08 -3.69 0.15 0.00 -0.57 0.00 0.00 43.02 38.83 2jgm s PHE 65 CO 0.00 -2.30 1.07 -0.65 -0.10 0.00 0.00 175.22 173.24 2jgm s GLN 66 N -2.51 1.40 0.55 0.44 -1.52 -1.26 -4.92 119.66 111.84 2jgm s GLN 66 Ca 0.62 -1.02 -0.18 0.00 -1.95 0.00 0.00 55.36 52.83 2jgm s GLN 66 Cb -0.38 -2.23 -0.11 0.00 -0.22 0.00 0.00 33.01 30.08 2jgm s GLN 66 CO 0.47 -1.69 0.32 0.09 -0.25 0.00 0.00 175.29 174.23 2jgm n ASN 67 N -3.05 -1.86 -4.79 5.90 3.02 -1.26 -4.80 115.26 108.42 2jgm n ASN 67 Ca 0.16 0.71 -0.36 0.00 -0.03 0.00 0.00 54.58 55.06 2jgm n ASN 67 Cb 0.60 -1.07 -0.07 0.00 -0.61 0.00 0.00 39.78 38.63 2jgm n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jgm s VAL 68 N -1.81 5.23 0.49 2.41 1.01 0.21 -4.65 120.40 123.29 2jgm s VAL 68 Ca 0.65 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.51 2jgm s VAL 68 Cb -0.46 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 2jgm s VAL 68 CO 0.58 0.57 1.12 0.00 0.00 0.00 0.00 175.10 177.36 2jgm n TYR 70 N -0.81 2.40 -3.92 0.00 9.36 -1.12 -4.65 117.16 118.41 2jgm n TYR 70 Ca 0.10 0.01 -0.10 0.00 3.32 0.00 0.00 57.90 61.23 2jgm n TYR 70 Cb 0.42 -2.66 -0.06 0.00 -0.63 0.00 0.00 39.34 36.41 2jgm n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 2jgm s GLN 71 N 2.92 1.25 0.10 2.98 -2.07 -1.26 -4.69 119.66 118.89 2jgm s GLN 71 Ca 0.86 -1.13 -0.31 0.00 -1.82 0.00 0.00 55.36 52.96 2jgm s GLN 71 Cb -0.62 0.42 -0.07 0.00 -1.09 0.00 0.00 33.01 31.65 2jgm s GLN 71 CO 0.44 -0.48 1.31 -0.47 -1.32 0.00 0.00 175.29 174.76 2jgm s TYR 72 N -3.96 3.32 -0.27 9.60 6.14 -1.26 -5.02 117.35 125.91 2jgm s TYR 72 Ca 0.17 1.11 -0.12 0.00 0.64 0.00 0.00 57.07 58.87 2jgm s TYR 72 Cb 0.02 -3.57 -0.05 0.00 0.42 0.00 0.00 41.96 38.78 2jgm s TYR 72 CO 0.01 -1.91 0.22 0.08 0.64 0.00 0.00 175.55 174.59 2jgm s VAL 73 N 1.02 5.29 0.13 3.14 1.01 -1.26 -4.92 120.40 124.82 2jgm s VAL 73 Ca 0.62 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.53 2jgm s VAL 73 Cb -0.34 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 2jgm s VAL 73 CO 0.30 0.25 1.64 -0.62 0.00 0.00 0.00 175.10 176.67 2jgm s ASP 74 N 1.63 6.56 -0.07 3.32 2.15 -1.26 -4.91 116.67 124.08 2jgm s ASP 74 Ca 0.09 2.61 0.19 0.00 0.43 0.00 0.00 52.55 55.87 2jgm s ASP 74 Cb -0.16 -2.58 0.39 0.00 -0.30 0.00 0.00 42.92 40.28 2jgm s ASP 74 CO 0.10 -0.88 1.17 0.35 -0.17 0.00 0.00 175.17 175.75 2jgm n THR 75 N 4.30 0.78 -0.26 1.71 -2.24 -1.26 -4.82 114.28 112.49 2jgm n THR 75 Ca 0.15 -1.71 -0.07 0.00 -2.27 0.00 0.00 64.05 60.15 2jgm n THR 75 Cb 0.39 0.52 0.05 0.00 -2.10 0.00 0.00 70.33 69.19 2jgm n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jgm h LEU 76 N 0.90 1.09 -6.14 3.22 5.85 -2.02 -3.38 115.31 114.84 2jgm h LEU 76 Ca -0.13 -0.24 -0.58 0.00 0.84 0.00 0.00 57.88 57.77 2jgm h LEU 76 Cb 1.55 -0.29 -0.40 0.00 0.37 0.00 0.00 40.66 41.89 2jgm h LEU 76 CO 0.06 1.04 -0.93 -1.22 -0.34 0.00 0.00 178.44 177.05 2jgm n TYR 77 N -4.23 0.83 -0.97 1.25 4.01 -1.26 -5.11 117.16 111.68 2jgm n TYR 77 Ca 0.05 -3.73 -0.38 0.00 -0.16 0.00 0.00 57.90 53.68 2jgm n TYR 77 Cb 0.27 -0.36 -0.05 0.00 -0.31 0.00 0.00 39.34 38.89 2jgm n TYR 77 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2jgm n PRO 78 N 1.43 0.00 -0.03 -0.72 -0.02 -1.26 -1.08 135.00 133.32 2jgm n PRO 78 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2jgm n PRO 78 Cb 0.48 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 2jgm n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgm n GLY 79 N 1.00 2.59 3.62 -1.23 0.00 -1.26 -4.99 105.19 104.93 2jgm n GLY 79 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2jgm n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jgm s PHE 80 N -2.79 3.07 0.27 1.61 5.36 -0.24 -4.91 117.98 120.34 2jgm s PHE 80 Ca 0.00 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 2jgm s PHE 80 Cb 0.00 -3.81 0.60 0.00 -0.34 0.00 0.00 43.02 39.48 2jgm s PHE 80 CO 0.00 -0.87 1.71 1.49 -1.46 0.00 0.00 175.22 176.09 2jgm h GLU 81 N 8.42 0.41 -0.39 10.12 4.57 -1.94 -0.41 114.58 135.35 2jgm h GLU 81 Ca -0.22 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.05 2jgm h GLU 81 Cb 1.07 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 2jgm h GLU 81 CO 1.03 0.27 0.44 0.78 -1.18 0.00 0.00 179.01 180.35 2jgm h GLY 82 N 0.42 0.00 0.00 1.92 0.00 -1.91 -1.63 103.07 101.87 2jgm h GLY 82 Ca 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.66 2jgm h GLY 82 CO -0.48 0.00 -1.63 -1.30 0.00 0.00 0.00 176.54 173.13 2jgm n THR 83 N -3.68 0.63 0.21 4.70 -2.24 -0.37 -4.63 114.28 108.89 2jgm n THR 83 Ca 0.07 -0.32 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 2jgm n THR 83 Cb 0.61 -0.83 0.47 0.00 -2.10 0.00 0.00 70.33 68.48 2jgm n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jgm h GLU 84 N 0.00 0.00 0.00 -0.78 4.39 -0.93 -2.56 114.58 114.70 2jgm h GLU 84 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2jgm h GLU 84 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 2jgm h GLU 84 CO -0.01 0.29 0.04 0.00 -1.16 0.00 0.00 179.01 178.17 2jgm h MET 85 N 0.00 0.00 0.00 2.33 -0.00 -1.54 -1.56 114.93 114.16 2jgm h MET 85 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2jgm h MET 85 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.23 2jgm h MET 85 CO 0.04 0.00 -1.46 0.91 -0.00 0.00 0.00 176.91 176.39 2jgm n TRP 86 N -2.47 0.00 -1.70 -0.10 7.02 -0.97 -4.75 117.44 114.47 2jgm n TRP 86 Ca -0.02 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.11 2jgm n TRP 86 Cb 0.09 -0.26 0.07 0.00 -2.42 0.00 0.00 31.31 28.78 2jgm n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jgm s ASN 87 N -3.37 4.66 0.45 -0.99 0.01 -0.59 -4.76 114.94 110.36 2jgm s ASN 87 Ca -0.03 2.40 -0.22 0.00 -0.71 0.00 0.00 52.86 54.29 2jgm s ASN 87 Cb 0.09 -2.60 -0.11 0.00 0.41 0.00 0.00 41.25 39.04 2jgm s ASN 87 CO 0.57 -1.95 0.68 -2.65 -1.51 0.00 0.00 177.10 172.24 2jgm n PRO 88 N -2.17 0.77 -0.12 -0.60 -0.02 -1.26 -4.91 135.00 126.69 2jgm n PRO 88 Ca 0.14 0.28 0.03 0.00 -2.02 0.00 0.00 63.50 61.93 2jgm n PRO 88 Cb 0.50 -1.71 0.04 0.00 -0.02 0.00 0.00 33.50 32.31 2jgm n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jgm n ASN 89 N 0.85 1.29 -4.14 2.55 2.04 -1.26 -5.03 115.26 111.56 2jgm n ASN 89 Ca 0.11 -2.10 -0.11 0.00 -0.44 0.00 0.00 54.58 52.04 2jgm n ASN 89 Cb 0.41 -0.16 -0.09 0.00 -2.53 0.00 0.00 39.78 37.41 2jgm n ASN 89 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 2jgm s ARG 90 N -1.13 1.24 0.34 -3.83 1.81 -1.26 -5.05 118.95 111.07 2jgm s ARG 90 Ca 0.09 -1.51 -0.27 0.00 -1.72 0.00 0.00 55.73 52.33 2jgm s ARG 90 Cb 0.08 0.31 -0.13 0.00 -0.45 0.00 0.00 34.95 34.77 2jgm s ARG 90 CO 0.01 -0.43 1.02 -1.91 -0.68 0.00 0.00 175.30 173.31 2jgm n GLU 91 N -0.27 1.42 -2.99 3.54 2.13 -1.26 -4.50 120.64 118.71 2jgm n GLU 91 Ca -0.00 0.50 -0.40 0.00 0.66 0.00 0.00 57.16 57.92 2jgm n GLU 91 Cb 0.65 -1.94 -0.05 0.00 0.27 0.00 0.00 31.44 30.37 2jgm n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jgm s LEU 92 N 0.07 4.42 -0.09 4.31 1.43 -1.26 -0.62 118.68 126.94 2jgm s LEU 92 Ca 0.59 1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 54.79 2jgm s LEU 92 Cb -0.64 -3.20 0.10 0.00 0.03 0.00 0.00 46.19 42.47 2jgm s LEU 92 CO 0.59 -0.02 0.84 -0.55 0.23 0.00 0.00 176.35 177.44 2jgm s SER 93 N 0.15 -0.50 0.55 2.29 0.15 -0.65 -4.91 113.70 110.77 2jgm s SER 93 Ca 0.39 0.51 0.33 0.00 0.70 0.00 0.00 55.95 57.87 2jgm s SER 93 Cb -0.20 0.42 1.42 0.00 -1.71 0.00 0.00 66.02 65.95 2jgm s SER 93 CO 0.22 -0.50 2.01 -0.33 1.20 0.00 0.00 173.24 175.84 2jgm h GLU 94 N 2.70 0.00 -5.37 5.44 5.08 -1.94 -2.95 114.58 117.54 2jgm h GLU 94 Ca -0.23 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.48 2jgm h GLU 94 Cb 1.16 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 2jgm h GLU 94 CO 0.35 0.04 0.93 0.34 -1.00 0.00 0.00 179.01 179.67 2jgm s ASP 95 N -5.74 6.51 0.00 1.42 2.15 -1.26 -4.28 116.67 115.47 2jgm s ASP 95 Ca 0.00 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.30 2jgm s ASP 95 Cb 0.10 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2jgm s ASP 95 CO 0.55 -1.25 0.21 0.00 -0.17 0.00 0.00 175.17 174.50 2jgm n LEU 97 N 0.00 5.42 -4.22 0.00 4.77 -1.26 -4.57 117.00 117.14 2jgm n LEU 97 Ca 0.00 -4.15 -0.20 0.00 -0.03 0.00 0.00 56.01 51.63 2jgm n LEU 97 Cb 0.40 -1.68 -0.12 0.00 -2.33 0.00 0.00 43.42 39.69 2jgm n LEU 97 CO 0.00 0.54 -0.47 -0.31 -1.33 0.00 0.00 177.39 175.81 2jgm s TYR 98 N 3.07 1.42 0.32 -1.77 2.02 -1.26 -2.56 117.35 118.59 2jgm s TYR 98 Ca 0.49 -0.46 0.10 0.00 -0.37 0.00 0.00 57.07 56.82 2jgm s TYR 98 Cb 0.04 -0.78 -0.06 0.00 -0.40 0.00 0.00 41.96 40.76 2jgm s TYR 98 CO 0.03 0.12 -0.11 -0.48 -1.57 0.00 0.00 175.55 173.54 2jgm s LEU 99 N -1.93 2.68 0.05 -1.29 0.05 0.71 -1.35 118.68 117.59 2jgm s LEU 99 Ca 0.03 -1.16 0.09 0.00 0.05 0.00 0.00 54.13 53.13 2jgm s LEU 99 Cb -0.09 -0.97 -0.03 0.00 -2.05 0.00 0.00 46.19 43.05 2jgm s LEU 99 CO 0.03 -0.18 -0.24 0.20 -0.55 0.00 0.00 176.35 175.62 2jgm s ASN 100 N -3.57 2.87 -0.10 1.48 0.01 0.13 -0.87 114.94 114.90 2jgm s ASN 100 Ca 0.31 -0.57 0.02 0.00 -0.71 0.00 0.00 52.86 51.91 2jgm s ASN 100 Cb 0.01 -0.25 0.01 0.00 0.41 0.00 0.00 41.25 41.44 2jgm s ASN 100 CO 0.15 0.21 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.10 2jgm s VAL 101 N -0.83 1.53 -0.11 1.60 1.01 0.95 -1.61 120.40 122.94 2jgm s VAL 101 Ca 0.10 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2jgm s VAL 101 Cb -0.09 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2jgm s VAL 101 CO 0.02 0.44 -0.08 0.26 0.00 0.00 0.00 175.10 175.75 2jgm s TRP 102 N 0.80 2.91 0.05 5.22 0.51 0.10 -0.49 118.94 128.05 2jgm s TRP 102 Ca -0.11 -0.29 0.00 0.00 -2.12 0.00 0.00 56.10 53.58 2jgm s TRP 102 Cb -0.16 -1.83 -0.03 0.00 -0.81 0.00 0.00 33.47 30.64 2jgm s TRP 102 CO 0.01 0.04 -0.04 0.95 -0.51 0.00 0.00 176.95 177.40 2jgm s THR 103 N -0.07 0.33 0.93 2.01 -4.23 -0.18 -0.91 115.64 113.52 2jgm s THR 103 Ca -0.00 -1.53 -0.16 0.00 -1.18 0.00 0.00 61.69 58.82 2jgm s THR 103 Cb -0.13 -1.14 -0.10 0.00 1.34 0.00 0.00 72.50 72.47 2jgm s THR 103 CO 0.03 -0.78 -0.40 -2.65 -0.54 0.00 0.00 174.62 170.28 2jgm n PRO 104 N 0.60 -0.05 -3.89 3.99 -0.02 -1.26 0.00 135.00 134.37 2jgm n PRO 104 Ca -0.17 -0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.03 2jgm n PRO 104 Cb 0.59 -1.25 -0.17 0.00 -0.02 0.00 0.00 33.50 32.65 2jgm n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgm s TYR 105 N -2.09 1.53 0.74 6.00 5.04 -1.24 -2.26 117.35 125.07 2jgm s TYR 105 Ca 0.47 -0.86 -0.14 0.00 -2.44 0.00 0.00 57.07 54.10 2jgm s TYR 105 Cb -0.22 -1.25 0.04 0.00 0.35 0.00 0.00 41.96 40.88 2jgm s TYR 105 CO 0.77 -0.55 1.18 -1.25 -1.34 0.00 0.00 175.55 174.36 2jgm s PRO 106 N 1.69 2.15 0.26 4.97 0.04 -1.26 -4.82 135.00 138.04 2jgm s PRO 106 Ca 0.03 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2jgm s PRO 106 Cb -0.14 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.42 2jgm s PRO 106 CO -0.08 -1.80 1.24 0.54 0.04 0.00 0.00 177.00 176.95 2jgm n ARG 107 N -2.84 1.73 -1.42 4.56 1.74 -0.96 -4.85 116.66 114.63 2jgm n ARG 107 Ca 0.13 0.61 -0.34 0.00 -0.77 0.00 0.00 57.85 57.48 2jgm n ARG 107 Cb 0.51 -2.16 0.09 0.00 -1.02 0.00 0.00 32.46 29.88 2jgm n ARG 107 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2jgm s PRO 108 N -0.97 2.11 -0.12 5.56 0.04 -1.26 -4.99 135.00 135.37 2jgm s PRO 108 Ca 0.64 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 63.18 2jgm s PRO 108 Cb -0.68 -1.83 -0.23 0.00 0.04 0.00 0.00 34.50 31.80 2jgm s PRO 108 CO 0.55 -1.85 0.77 0.00 0.04 0.00 0.00 177.00 176.50 2jgm h ALA 109 N -0.33 -0.01 -2.27 8.56 0.00 -1.94 -3.44 119.26 119.83 2jgm h ALA 109 Ca -0.48 -0.41 -0.48 0.00 0.00 0.00 0.00 54.91 53.54 2jgm h ALA 109 Cb 1.30 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.11 2jgm h ALA 109 CO 0.50 -0.05 -0.08 -1.54 0.00 0.00 0.00 179.25 178.08 2jgm s SER 110 N -6.06 6.29 -0.10 0.00 1.04 -1.26 -5.03 113.70 108.59 2jgm s SER 110 Ca -0.17 0.64 -0.27 0.00 0.48 0.00 0.00 55.95 56.63 2jgm s SER 110 Cb -0.02 -2.12 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 2jgm s SER 110 CO 0.62 -0.40 0.90 -2.16 0.98 0.00 0.00 173.24 173.19 2jgm s PRO 111 N -4.44 4.42 -0.09 4.02 0.05 -1.26 -4.92 135.00 132.77 2jgm s PRO 111 Ca 0.43 1.21 -0.07 0.00 0.05 0.00 0.00 61.00 62.62 2jgm s PRO 111 Cb -0.10 -3.52 -0.04 0.00 0.05 0.00 0.00 34.50 30.89 2jgm s PRO 111 CO 0.39 -0.20 0.16 0.99 0.05 0.00 0.00 177.00 178.39 2jgm s THR 112 N 1.65 5.47 0.20 1.26 2.01 0.13 -4.48 115.64 121.88 2jgm s THR 112 Ca 0.45 0.18 -0.32 0.00 0.31 0.00 0.00 61.69 62.30 2jgm s THR 112 Cb -0.18 -3.44 -0.14 0.00 0.01 0.00 0.00 72.50 68.74 2jgm s THR 112 CO 0.18 0.57 1.31 -2.65 -0.69 0.00 0.00 174.62 173.35 2jgm n PRO 113 N 1.79 1.66 -4.11 4.92 -0.02 -1.26 0.12 135.00 138.10 2jgm n PRO 113 Ca -0.18 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 2jgm n PRO 113 Cb 0.54 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 2jgm n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jgm s VAL 114 N -0.05 4.79 -0.10 -1.45 1.01 0.35 -2.99 120.40 121.97 2jgm s VAL 114 Ca 0.71 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.43 2jgm s VAL 114 Cb -0.74 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2jgm s VAL 114 CO 0.50 0.43 -0.15 -0.76 0.00 0.00 0.00 175.10 175.12 2jgm s LEU 115 N -1.50 1.74 -0.18 3.92 1.43 0.32 -1.79 118.68 122.62 2jgm s LEU 115 Ca 0.20 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2jgm s LEU 115 Cb -0.12 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 2jgm s LEU 115 CO 0.11 0.03 -0.09 -0.63 0.23 0.00 0.00 176.35 176.00 2jgm s ILE 116 N 0.85 3.13 -0.19 -0.59 1.01 -0.29 -0.72 121.20 124.41 2jgm s ILE 116 Ca -0.10 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 2jgm s ILE 116 Cb -0.15 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 2jgm s ILE 116 CO 0.01 0.47 0.24 0.86 0.00 0.00 0.00 174.94 176.52 2jgm s TRP 117 N 1.05 3.42 -0.33 3.97 -0.11 0.63 -0.56 118.94 127.01 2jgm s TRP 117 Ca -0.00 0.47 -0.03 0.00 1.22 0.00 0.00 56.10 57.77 2jgm s TRP 117 Cb -0.15 -2.30 0.06 0.00 -1.50 0.00 0.00 33.47 29.59 2jgm s TRP 117 CO -0.01 0.21 0.07 0.42 -4.62 0.00 0.00 176.95 173.01 2jgm s ILE 118 N 0.60 3.17 0.80 5.86 1.01 -0.26 -3.82 121.20 128.55 2jgm s ILE 118 Ca 0.13 -1.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.12 2jgm s ILE 118 Cb -0.13 -2.92 0.08 0.00 0.01 0.00 0.00 42.46 39.50 2jgm s ILE 118 CO 0.03 -0.28 1.14 -0.72 0.00 0.00 0.00 174.94 175.11 2jgm s TYR 119 N 1.24 2.13 0.00 3.97 -0.85 -1.26 -3.52 117.35 119.06 2jgm s TYR 119 Ca -0.01 1.65 0.00 0.00 -0.52 0.00 0.00 57.07 58.19 2jgm s TYR 119 Cb -0.20 -3.27 0.00 0.00 0.38 0.00 0.00 41.96 38.87 2jgm s TYR 119 CO -0.01 -2.33 0.00 0.41 -1.52 0.00 0.00 175.55 172.10 2jgm n GLY 120 N -0.25 1.67 0.00 5.49 0.00 -1.19 -3.25 105.19 107.66 2jgm n GLY 120 Ca 0.11 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2jgm n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgm n GLY 121 N 5.00 0.69 2.26 -0.02 0.00 -1.26 -4.27 105.19 107.59 2jgm n GLY 121 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2jgm n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgm n GLY 122 N 0.00 -0.29 3.15 -0.02 0.00 -1.26 -1.07 105.19 105.70 2jgm n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jgm n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgm n PHE 123 N -2.58 0.00 0.31 1.61 3.72 -1.26 -4.79 117.46 114.48 2jgm n PHE 123 Ca -0.06 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.37 2jgm n PHE 123 Cb 0.47 -1.04 0.03 0.00 -0.94 0.00 0.00 39.48 38.00 2jgm n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jgm n TYR 124 N -2.18 0.00 -3.67 1.38 0.18 -0.23 0.59 117.16 113.23 2jgm n TYR 124 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 2jgm n TYR 124 Cb 0.14 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.08 2jgm n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jgm s SER 125 N -0.72 -0.29 0.00 9.48 1.04 -0.80 -3.99 113.70 118.42 2jgm s SER 125 Ca 0.08 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2jgm s SER 125 Cb 0.06 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2jgm s SER 125 CO 0.11 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2jgm n GLY 126 N -0.40 3.62 3.56 7.32 0.00 -1.26 -3.98 105.19 114.04 2jgm n GLY 126 Ca -0.08 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 2jgm n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgm s ALA 127 N -2.51 -1.61 -1.33 4.61 0.00 -1.26 -4.66 121.76 115.00 2jgm s ALA 127 Ca 0.00 1.85 0.20 0.00 0.00 0.00 0.00 51.96 54.01 2jgm s ALA 127 Cb 0.00 -1.08 0.96 0.00 0.00 0.00 0.00 23.12 23.01 2jgm s ALA 127 CO 0.00 -0.31 1.62 0.00 0.00 0.00 0.00 175.76 177.07 2jgm n ALA 128 N 2.80 2.01 0.15 0.00 0.00 -1.26 -3.51 120.51 120.70 2jgm n ALA 128 Ca -0.14 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.33 2jgm n ALA 128 Cb 0.56 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.70 2jgm n ALA 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jgm h SER 129 N 0.00 0.00 -1.86 0.00 4.64 -1.94 -3.46 113.55 110.93 2jgm h SER 129 Ca 0.00 -0.02 -0.64 0.00 -0.47 0.00 0.00 61.79 60.66 2jgm h SER 129 Cb 0.22 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.41 2jgm h SER 129 CO 0.00 0.01 -0.05 0.18 -0.87 0.00 0.00 176.83 176.10 2jgm n LEU 130 N -2.65 0.73 -0.30 5.97 4.77 -1.23 -4.85 117.00 119.44 2jgm n LEU 130 Ca 0.00 1.16 0.12 0.00 -0.03 0.00 0.00 56.01 57.26 2jgm n LEU 130 Cb 0.54 -1.16 0.29 0.00 -2.33 0.00 0.00 43.42 40.77 2jgm n LEU 130 CO 0.40 -1.89 1.05 0.44 -1.33 0.00 0.00 177.39 176.05 2jgm h ASP 131 N 1.98 0.34 0.15 -1.43 3.32 -1.92 -0.46 116.42 118.41 2jgm h ASP 131 Ca -0.37 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2jgm h ASP 131 Cb 1.38 0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.05 2jgm h ASP 131 CO 0.61 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 179.49 2jgm n VAL 132 N -5.03 0.47 -1.20 -1.35 0.24 -1.26 -1.85 118.33 108.35 2jgm n VAL 132 Ca 0.21 0.12 0.03 0.00 -2.04 0.00 0.00 64.34 62.66 2jgm n VAL 132 Cb 0.62 -0.92 0.22 0.00 -1.47 0.00 0.00 33.84 32.29 2jgm n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgm n TYR 133 N -1.19 0.92 -2.12 6.34 4.01 -0.18 -4.49 117.16 120.45 2jgm n TYR 133 Ca 0.07 -1.20 -0.42 0.00 -0.16 0.00 0.00 57.90 56.18 2jgm n TYR 133 Cb 0.08 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 2jgm n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jgm s ASP 134 N -2.28 6.76 0.00 7.72 -1.08 -0.77 -4.89 116.67 122.13 2jgm s ASP 134 Ca 0.42 2.22 0.28 0.00 -0.52 0.00 0.00 52.55 54.95 2jgm s ASP 134 Cb 0.36 -2.56 1.06 0.00 -1.46 0.00 0.00 42.92 40.33 2jgm s ASP 134 CO 0.04 -0.79 1.75 0.61 0.52 0.00 0.00 175.17 177.31 2jgm n GLY 135 N 3.79 -0.69 0.33 2.66 0.00 -1.26 -4.32 105.19 105.70 2jgm n GLY 135 Ca 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 2jgm n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jgm h ARG 136 N 1.03 0.90 -0.05 1.61 0.11 -1.90 -0.16 114.38 115.94 2jgm h ARG 136 Ca 0.00 -0.10 -0.17 0.00 0.10 0.00 0.00 59.98 59.81 2jgm h ARG 136 Cb 0.41 -0.18 0.01 0.00 1.11 0.00 0.00 29.97 31.33 2jgm h ARG 136 CO 0.00 0.67 -0.65 0.74 0.10 0.00 0.00 179.97 180.83 2jgm h PHE 137 N 0.91 0.74 -0.64 4.08 0.04 -1.76 -0.13 116.94 120.18 2jgm h PHE 137 Ca 0.23 -0.37 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 2jgm h PHE 137 Cb 0.03 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 2jgm h PHE 137 CO 0.01 1.18 0.25 -0.07 -0.60 0.00 0.00 178.31 179.07 2jgm h LEU 138 N 0.09 0.87 0.70 1.54 3.38 -1.65 0.81 115.31 121.07 2jgm h LEU 138 Ca -0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2jgm h LEU 138 Cb 1.33 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.86 2jgm h LEU 138 CO 0.13 0.79 -0.34 0.00 0.09 0.00 0.00 178.44 179.11 2jgm h ALA 139 N 1.34 -0.94 -0.18 1.53 0.00 -0.94 -2.60 119.26 117.47 2jgm h ALA 139 Ca 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jgm h ALA 139 Cb 0.20 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jgm h ALA 139 CO -0.02 -0.96 0.08 0.37 0.00 0.00 0.00 179.25 178.73 2jgm h GLN 140 N -1.09 0.27 0.00 0.00 -0.00 -0.84 0.48 115.11 113.93 2jgm h GLN 140 Ca -0.10 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.43 2jgm h GLN 140 Cb 0.75 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.17 2jgm h GLN 140 CO 0.16 0.31 -1.19 0.28 0.00 0.00 0.00 178.83 178.39 2jgm h VAL 141 N 0.16 0.25 -0.04 2.39 2.07 -0.96 -3.35 116.25 116.77 2jgm h VAL 141 Ca 0.06 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2jgm h VAL 141 Cb 0.14 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2jgm h VAL 141 CO -0.01 0.14 0.00 -0.62 0.02 0.00 0.00 177.57 177.11 2jgm n GLU 142 N -2.79 1.30 -2.97 1.57 -0.58 -1.00 -4.99 120.64 111.19 2jgm n GLU 142 Ca -0.05 -1.16 -0.20 0.00 -0.42 0.00 0.00 57.16 55.33 2jgm n GLU 142 Cb 0.69 -1.05 0.01 0.00 -0.57 0.00 0.00 31.44 30.53 2jgm n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jgm n GLY 143 N -0.12 -0.50 3.83 0.62 0.00 0.14 -4.95 105.19 104.21 2jgm n GLY 143 Ca 0.02 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2jgm n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgm s ALA 144 N -2.94 3.47 -0.23 4.61 0.00 -1.11 -4.84 121.76 120.72 2jgm s ALA 144 Ca 0.24 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 2jgm s ALA 144 Cb -0.12 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2jgm s ALA 144 CO 0.30 0.38 0.58 0.08 0.00 0.00 0.00 175.76 177.10 2jgm s VAL 145 N -1.56 5.04 -0.05 0.00 1.01 -1.16 -4.05 120.40 119.63 2jgm s VAL 145 Ca 0.42 1.04 0.05 0.00 0.00 0.00 0.00 61.98 63.50 2jgm s VAL 145 Cb -0.15 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2jgm s VAL 145 CO 0.20 0.09 -0.21 -0.22 0.00 0.00 0.00 175.10 174.96 2jgm s LEU 146 N 2.13 2.00 0.00 3.92 0.20 -0.09 -0.52 118.68 126.31 2jgm s LEU 146 Ca 0.25 -0.44 0.03 0.00 0.69 0.00 0.00 54.13 54.66 2jgm s LEU 146 Cb -0.16 -1.19 -0.01 0.00 -0.43 0.00 0.00 46.19 44.40 2jgm s LEU 146 CO 0.09 0.20 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.55 2jgm s VAL 147 N -0.07 0.87 -0.05 1.68 1.01 0.10 0.00 120.40 123.95 2jgm s VAL 147 Ca -0.04 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2jgm s VAL 147 Cb -0.13 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.52 2jgm s VAL 147 CO 0.03 0.18 0.14 -0.94 0.00 0.00 0.00 175.10 174.52 2jgm s SER 148 N -0.43 -0.12 0.18 3.32 1.04 -0.63 -0.26 113.70 116.79 2jgm s SER 148 Ca 0.03 0.21 0.11 0.00 0.48 0.00 0.00 55.95 56.78 2jgm s SER 148 Cb -0.05 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2jgm s SER 148 CO -0.00 -0.11 -0.23 0.00 0.98 0.00 0.00 173.24 173.89 2jgm s MET 149 N -0.18 1.58 0.18 4.02 0.23 -1.25 0.18 119.30 124.05 2jgm s MET 149 Ca -0.03 -1.44 -0.24 0.00 -1.03 0.00 0.00 55.69 52.95 2jgm s MET 149 Cb -0.02 -1.91 -0.08 0.00 -1.53 0.00 0.00 34.83 31.29 2jgm s MET 149 CO 0.00 0.42 0.76 -0.80 -2.03 0.00 0.00 175.02 173.38 2jgm s ASN 150 N -2.55 7.31 0.04 -1.18 0.01 -0.46 -4.46 114.94 113.66 2jgm s ASN 150 Ca 0.20 1.60 0.02 0.00 -0.71 0.00 0.00 52.86 53.96 2jgm s ASN 150 Cb -0.09 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 2jgm s ASN 150 CO 0.10 0.17 -0.06 -0.72 -1.51 0.00 0.00 177.10 175.07 2jgm s TYR 151 N -1.23 0.57 0.23 2.20 1.13 -1.26 -4.54 117.35 114.45 2jgm s TYR 151 Ca 0.37 -0.54 -0.30 0.00 -1.41 0.00 0.00 57.07 55.19 2jgm s TYR 151 Cb -0.22 -0.35 -0.09 0.00 -1.10 0.00 0.00 41.96 40.20 2jgm s TYR 151 CO 0.25 -0.12 1.27 1.03 -2.51 0.00 0.00 175.55 175.46 2jgm s ARG 152 N -1.73 4.43 0.46 -3.49 0.52 -1.26 -4.85 118.95 113.03 2jgm s ARG 152 Ca -0.10 2.03 0.05 0.00 -0.52 0.00 0.00 55.73 57.19 2jgm s ARG 152 Cb -0.09 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 2jgm s ARG 152 CO -0.00 -0.16 0.09 0.14 0.02 0.00 0.00 175.30 175.38 2jgm s VAL 153 N -0.28 1.75 0.00 3.52 -7.23 -1.26 -4.19 120.40 112.71 2jgm s VAL 153 Ca 0.53 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2jgm s VAL 153 Cb -0.36 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 33.95 2jgm s VAL 153 CO 0.41 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 2jgm n GLY 154 N -1.21 0.97 0.31 2.32 0.00 0.20 -2.36 105.19 105.41 2jgm n GLY 154 Ca -0.09 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.34 2jgm n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jgm h THR 155 N 0.00 0.85 -0.14 2.61 1.35 -1.89 0.23 112.91 115.93 2jgm h THR 155 Ca 0.00 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 65.58 2jgm h THR 155 Cb 0.00 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.45 2jgm h THR 155 CO 0.00 0.14 -0.05 -0.26 -0.25 0.00 0.00 175.52 175.10 2jgm h PHE 156 N 0.74 0.21 0.00 4.73 0.04 -1.90 -1.35 116.94 119.40 2jgm h PHE 156 Ca 0.42 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 61.07 2jgm h PHE 156 Cb 0.46 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2jgm h PHE 156 CO -0.07 0.26 -1.66 0.41 -0.60 0.00 0.00 178.31 176.66 2jgm n GLY 157 N -1.12 -1.16 0.00 -1.45 0.00 -0.34 -4.19 105.19 96.93 2jgm n GLY 157 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2jgm n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgm n PHE 158 N -2.63 0.00 -1.88 1.61 3.72 -0.08 -0.50 117.46 117.70 2jgm n PHE 158 Ca -0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 2jgm n PHE 158 Cb 0.75 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.26 2jgm n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jgm s LEU 159 N 0.00 4.37 -0.01 4.37 0.20 -0.54 -4.46 118.68 122.62 2jgm s LEU 159 Ca 0.00 2.70 0.00 0.00 0.69 0.00 0.00 54.13 57.52 2jgm s LEU 159 Cb 0.00 -3.60 0.01 0.00 -0.43 0.00 0.00 46.19 42.17 2jgm s LEU 159 CO 0.00 -0.86 -0.01 0.00 -0.29 0.00 0.00 176.35 175.19 2jgm s ALA 160 N 1.07 0.13 -0.90 5.97 0.00 -1.26 -4.40 121.76 122.37 2jgm s ALA 160 Ca 0.71 0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 2jgm s ALA 160 Cb -0.45 -0.09 0.23 0.00 0.00 0.00 0.00 23.12 22.81 2jgm s ALA 160 CO 0.32 -0.00 0.84 1.28 0.00 0.00 0.00 175.76 178.20 2jgm n LEU 161 N 3.33 4.35 -4.65 0.00 4.77 -0.20 -4.12 117.00 120.49 2jgm n LEU 161 Ca -0.16 -5.16 -0.46 0.00 -0.03 0.00 0.00 56.01 50.20 2jgm n LEU 161 Cb 0.57 -1.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 2jgm n LEU 161 CO 0.25 1.61 0.98 -2.65 -1.33 0.00 0.00 177.39 176.25 2jgm n PRO 162 N 2.12 1.88 0.00 3.23 -0.02 -1.26 -1.19 135.00 139.75 2jgm n PRO 162 Ca 0.23 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2jgm n PRO 162 Cb 0.37 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2jgm n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgm n GLY 163 N 2.23 2.41 3.91 -1.23 0.00 -1.26 -5.07 105.19 106.18 2jgm n GLY 163 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2jgm n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jgm s SER 164 N -1.37 5.52 -0.01 1.61 1.04 -0.33 -5.01 113.70 115.15 2jgm s SER 164 Ca 0.00 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.30 2jgm s SER 164 Cb 0.00 -1.77 -0.25 0.00 0.10 0.00 0.00 66.02 64.10 2jgm s SER 164 CO 0.00 -1.17 0.78 -0.09 0.98 0.00 0.00 173.24 173.74 2jgm h ARG 165 N -0.35 0.15 0.00 4.02 2.43 -1.98 -3.36 114.38 115.28 2jgm h ARG 165 Ca -0.45 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 58.35 2jgm h ARG 165 Cb 1.26 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 2jgm h ARG 165 CO 0.62 0.93 -0.98 0.93 -1.51 0.00 0.00 179.97 179.95 2jgm h GLU 166 N 0.04 0.00 -1.61 0.20 3.07 -1.95 -3.39 114.58 110.94 2jgm h GLU 166 Ca -0.25 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.12 2jgm h GLU 166 Cb 1.99 0.00 -0.34 0.00 -0.84 0.00 0.00 28.75 29.56 2jgm h GLU 166 CO 0.12 0.33 -0.97 0.00 -1.40 0.00 0.00 179.01 177.10 2jgm n ALA 167 N -2.30 1.62 0.33 3.43 0.00 -1.26 -4.21 120.51 118.12 2jgm n ALA 167 Ca -0.04 -2.94 0.10 0.00 0.00 0.00 0.00 53.44 50.57 2jgm n ALA 167 Cb 0.76 -0.92 0.47 0.00 0.00 0.00 0.00 19.45 19.75 2jgm n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jgm n PRO 168 N 1.59 0.15 0.00 0.00 -0.04 -1.26 -1.03 135.00 134.41 2jgm n PRO 168 Ca 0.19 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2jgm n PRO 168 Cb 0.55 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2jgm n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jgm n GLY 169 N -0.39 0.25 2.62 0.55 0.00 -1.26 -4.66 105.19 102.29 2jgm n GLY 169 Ca 0.01 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 2jgm n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jgm n ASN 170 N -0.85 -5.03 0.25 1.61 3.02 -1.26 -4.85 115.26 108.16 2jgm n ASN 170 Ca 0.00 0.26 0.08 0.00 -0.03 0.00 0.00 54.58 54.88 2jgm n ASN 170 Cb 0.00 -3.81 0.61 0.00 -0.61 0.00 0.00 39.78 35.98 2jgm n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jgm h VAL 171 N 0.00 1.02 -0.48 2.41 -1.51 -1.84 -0.38 116.25 115.47 2jgm h VAL 171 Ca -0.21 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2jgm h VAL 171 Cb 1.06 1.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 2jgm h VAL 171 CO 0.31 0.04 0.32 1.23 -1.23 0.00 0.00 177.57 178.24 2jgm h GLY 172 N 0.14 0.68 1.50 5.19 0.00 -1.00 0.35 103.07 109.92 2jgm h GLY 172 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 2jgm h GLY 172 CO 0.01 0.25 0.07 1.41 0.00 0.00 0.00 176.54 178.28 2jgm h LEU 173 N 0.65 0.59 -0.97 3.11 3.38 -1.42 -2.03 115.31 118.62 2jgm h LEU 173 Ca 0.18 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2jgm h LEU 173 Cb -0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2jgm h LEU 173 CO -0.04 0.61 -0.49 -0.07 0.09 0.00 0.00 178.44 178.54 2jgm h LEU 174 N 0.61 0.00 -0.68 1.67 3.38 -0.21 -0.94 115.31 119.15 2jgm h LEU 174 Ca 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2jgm h LEU 174 Cb 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2jgm h LEU 174 CO 0.00 0.49 0.09 0.44 0.09 0.00 0.00 178.44 179.55 2jgm h ASP 175 N 0.00 1.07 -0.47 -0.43 3.32 0.21 -2.13 116.42 117.99 2jgm h ASP 175 Ca -0.00 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.67 2jgm h ASP 175 Cb 0.91 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2jgm h ASP 175 CO 0.06 1.07 -0.13 1.56 -1.72 0.00 0.00 179.24 180.08 2jgm h GLN 176 N 1.03 0.95 -0.40 3.56 4.20 -0.95 -2.61 115.11 120.89 2jgm h GLN 176 Ca 0.20 -0.36 -0.15 0.00 0.06 0.00 0.00 58.65 58.41 2jgm h GLN 176 Cb 0.47 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2jgm h GLN 176 CO 0.02 1.02 -0.33 -0.09 -0.67 0.00 0.00 178.83 178.78 2jgm h ARG 177 N 0.84 0.90 0.00 1.46 2.43 -1.01 -1.34 114.38 117.66 2jgm h ARG 177 Ca 0.13 -0.44 -0.04 0.00 -0.81 0.00 0.00 59.98 58.82 2jgm h ARG 177 Cb 0.68 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2jgm h ARG 177 CO 0.05 1.09 -0.19 1.25 -1.51 0.00 0.00 179.97 180.66 2jgm h LEU 178 N 0.75 0.00 -0.15 3.80 5.85 -1.28 0.69 115.31 124.97 2jgm h LEU 178 Ca 0.08 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.56 2jgm h LEU 178 Cb 0.90 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.94 2jgm h LEU 178 CO 0.08 0.19 -0.94 0.00 -0.34 0.00 0.00 178.44 177.43 2jgm h ALA 179 N 1.81 0.32 -0.67 1.25 0.00 -0.99 -1.04 119.26 119.94 2jgm h ALA 179 Ca -0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 2jgm h ALA 179 Cb 0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2jgm h ALA 179 CO 0.02 0.78 0.29 -0.07 0.00 0.00 0.00 179.25 180.27 2jgm h LEU 180 N 0.29 0.91 -0.28 0.00 3.38 -0.17 -1.54 115.31 117.89 2jgm h LEU 180 Ca -0.09 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2jgm h LEU 180 Cb 1.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 2jgm h LEU 180 CO 0.17 0.81 0.17 1.56 0.09 0.00 0.00 178.44 181.24 2jgm h GLN 181 N 0.95 0.34 -0.99 1.13 4.20 -0.80 -0.77 115.11 119.17 2jgm h GLN 181 Ca 0.23 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.08 2jgm h GLN 181 Cb 0.17 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.78 2jgm h GLN 181 CO -0.02 0.22 0.62 2.35 -0.67 0.00 0.00 178.83 181.33 2jgm h TRP 182 N 0.35 1.04 0.27 2.96 7.01 -0.93 -2.06 115.95 124.59 2jgm h TRP 182 Ca 0.11 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 2jgm h TRP 182 Cb -0.01 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 26.73 2jgm h TRP 182 CO -0.07 0.31 -0.13 0.28 -2.79 0.00 0.00 178.44 176.03 2jgm h VAL 183 N 0.81 0.78 -0.71 2.65 2.07 -0.13 -1.40 116.25 120.31 2jgm h VAL 183 Ca 0.54 -0.35 0.13 0.00 0.82 0.00 0.00 66.70 67.83 2jgm h VAL 183 Cb 0.77 0.98 -0.13 0.00 -1.52 0.00 0.00 31.29 31.39 2jgm h VAL 183 CO -0.32 0.08 -0.31 1.56 0.02 0.00 0.00 177.57 178.60 2jgm h GLN 184 N -0.55 -0.09 -0.39 1.57 1.08 -0.69 0.10 115.11 116.14 2jgm h GLN 184 Ca -0.04 0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.01 2jgm h GLN 184 Cb 0.40 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2jgm h GLN 184 CO 0.06 -0.06 -0.38 1.49 -0.95 0.00 0.00 178.83 178.99 2jgm h GLU 185 N -0.09 0.95 0.00 1.46 4.81 -1.28 -3.39 114.58 117.04 2jgm h GLU 185 Ca 0.29 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2jgm h GLU 185 Cb 0.56 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2jgm h GLU 185 CO -0.77 1.16 -0.86 0.09 -0.73 0.00 0.00 179.01 177.90 2jgm n ASN 186 N -4.06 2.48 0.21 1.04 3.02 -0.54 -4.67 115.26 112.74 2jgm n ASN 186 Ca -0.02 -0.23 0.08 0.00 -0.03 0.00 0.00 54.58 54.37 2jgm n ASN 186 Cb 0.55 1.15 0.60 0.00 -0.61 0.00 0.00 39.78 41.47 2jgm n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jgm h ILE 187 N 0.00 1.01 -0.99 2.41 6.09 -0.96 -1.38 117.51 123.69 2jgm h ILE 187 Ca 0.00 -0.03 0.09 0.00 -1.37 0.00 0.00 64.86 63.55 2jgm h ILE 187 Cb 0.19 0.91 -0.08 0.00 0.47 0.00 0.00 36.82 38.32 2jgm h ILE 187 CO 0.00 0.02 0.63 0.00 -3.07 0.00 0.00 178.15 175.73 2jgm h ALA 188 N 1.95 1.43 0.00 0.18 0.00 -1.80 0.48 119.26 121.51 2jgm h ALA 188 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jgm h ALA 188 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2jgm h ALA 188 CO -0.01 0.32 0.44 0.00 0.00 0.00 0.00 179.25 180.00 2jgm h ALA 189 N 1.49 1.34 -0.01 0.00 0.00 -1.56 0.50 119.26 121.02 2jgm h ALA 189 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2jgm h ALA 189 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jgm h ALA 189 CO -0.22 -0.34 -0.03 1.19 0.00 0.00 0.00 179.25 179.85 2jgm n PHE 190 N -2.24 0.00 -0.18 0.00 3.01 0.09 -4.84 117.46 113.30 2jgm n PHE 190 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jgm n PHE 190 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 2jgm n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgm n GLY 191 N 0.51 0.89 3.84 1.37 0.00 0.17 -4.48 105.19 107.50 2jgm n GLY 191 Ca 0.04 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2jgm n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jgm s GLY 192 N -2.12 2.48 -0.60 -0.02 0.00 -0.79 0.19 107.32 106.46 2jgm s GLY 192 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.39 2jgm s GLY 192 CO 0.00 0.18 0.83 -0.35 0.00 0.00 0.00 173.10 173.75 2jgm s ASP 193 N -1.67 6.21 0.00 1.64 -1.08 0.33 -3.40 116.67 118.70 2jgm s ASP 193 Ca 0.37 -1.00 0.14 0.00 -0.52 0.00 0.00 52.55 51.55 2jgm s ASP 193 Cb -0.15 -2.37 0.84 0.00 -1.46 0.00 0.00 42.92 39.79 2jgm s ASP 193 CO 0.19 -1.22 1.27 -0.81 0.52 0.00 0.00 175.17 175.12 2jgm n PRO 194 N 7.01 0.50 -0.35 4.34 -0.04 -1.26 -0.58 135.00 144.63 2jgm n PRO 194 Ca -0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 2jgm n PRO 194 Cb 0.45 -1.44 0.30 0.00 -0.04 0.00 0.00 33.50 32.77 2jgm n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jgm n MET 195 N -0.94 2.59 -3.10 0.54 2.81 -1.26 -4.57 117.12 113.19 2jgm n MET 195 Ca 0.11 -2.43 -0.17 0.00 -1.81 0.00 0.00 57.70 53.39 2jgm n MET 195 Cb 0.05 -1.53 -0.05 0.00 -0.71 0.00 0.00 33.22 30.98 2jgm n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jgm n SER 196 N 1.46 -1.56 -4.21 7.83 2.88 0.25 -4.96 113.62 115.32 2jgm n SER 196 Ca 0.23 -2.69 -0.34 0.00 -1.33 0.00 0.00 58.87 54.74 2jgm n SER 196 Cb 0.58 0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 64.29 2jgm n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jgm s VAL 197 N 0.19 2.88 -0.22 2.46 1.01 -1.26 -0.50 120.40 124.97 2jgm s VAL 197 Ca 0.32 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2jgm s VAL 197 Cb 0.07 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2jgm s VAL 197 CO -0.15 0.24 0.07 -0.89 0.00 0.00 0.00 175.10 174.38 2jgm s THR 198 N 1.34 4.63 0.04 3.92 2.01 -0.74 -0.56 115.64 126.27 2jgm s THR 198 Ca 0.01 -0.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.68 2jgm s THR 198 Cb -0.16 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 2jgm s THR 198 CO -0.05 0.39 0.77 -0.76 -0.69 0.00 0.00 174.62 174.28 2jgm s LEU 199 N 0.99 4.44 0.07 4.42 1.43 -0.32 -1.14 118.68 128.57 2jgm s LEU 199 Ca 0.04 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.61 2jgm s LEU 199 Cb -0.14 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 2jgm s LEU 199 CO 0.03 0.00 -0.09 0.72 0.23 0.00 0.00 176.35 177.25 2jgm s PHE 200 N 0.01 0.84 0.08 0.29 -0.71 0.28 0.15 117.98 118.91 2jgm s PHE 200 Ca 0.39 -0.60 -0.27 0.00 -1.04 0.00 0.00 56.93 55.41 2jgm s PHE 200 Cb -0.20 -0.48 0.08 0.00 -1.21 0.00 0.00 43.02 41.20 2jgm s PHE 200 CO 0.23 -0.07 0.99 0.20 -1.34 0.00 0.00 175.22 175.23 2jgm s GLY 201 N -2.02 -0.31 -0.20 1.99 0.00 -0.93 -1.11 107.32 104.74 2jgm s GLY 201 Ca -0.02 0.45 0.17 0.00 0.00 0.00 0.00 44.72 45.32 2jgm s GLY 201 CO -0.00 0.11 1.17 -2.21 0.00 0.00 0.00 173.10 172.16 2jgm n GLU 202 N -0.41 1.82 0.00 2.90 0.00 -1.23 -1.19 120.64 122.53 2jgm n GLU 202 Ca -0.07 -3.31 0.00 0.00 0.00 0.00 0.00 57.16 53.79 2jgm n GLU 202 Cb 0.61 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.62 2jgm n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgm n ALA 204 N -0.48 0.00 0.01 4.31 0.00 -1.26 -3.06 120.51 120.03 2jgm n ALA 204 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.53 2jgm n ALA 204 Cb 0.90 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.40 2jgm n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jgm h GLY 205 N 0.00 0.59 1.01 0.00 0.00 -1.71 -0.87 103.07 102.10 2jgm h GLY 205 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.51 2jgm h GLY 205 CO 0.00 0.63 -0.21 0.00 0.00 0.00 0.00 176.54 176.96 2jgm h ALA 206 N 0.96 0.53 -0.84 3.60 0.00 -1.63 -1.69 119.26 120.19 2jgm h ALA 206 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2jgm h ALA 206 Cb 1.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2jgm h ALA 206 CO 0.11 0.49 0.55 0.00 0.00 0.00 0.00 179.25 180.40 2jgm h ALA 207 N 0.79 1.45 0.13 0.00 0.00 -1.75 -0.48 119.26 119.39 2jgm h ALA 207 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jgm h ALA 207 Cb 0.77 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jgm h ALA 207 CO 0.06 0.49 -0.06 0.77 0.00 0.00 0.00 179.25 180.51 2jgm h SER 208 N 1.08 -0.14 -0.63 0.00 0.02 -0.92 -0.10 113.55 112.86 2jgm h SER 208 Ca 0.32 -0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.32 2jgm h SER 208 Cb -0.04 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 2jgm h SER 208 CO -0.08 -0.04 0.22 0.58 -1.14 0.00 0.00 176.83 176.37 2jgm h VAL 209 N -0.23 0.73 -0.79 2.27 2.07 -0.61 -0.73 116.25 118.95 2jgm h VAL 209 Ca -0.02 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2jgm h VAL 209 Cb 0.19 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 2jgm h VAL 209 CO 0.03 0.07 0.50 1.23 0.02 0.00 0.00 177.57 179.42 2jgm h GLY 210 N 0.39 1.16 1.79 2.17 0.00 -0.76 -1.42 103.07 106.39 2jgm h GLY 210 Ca 0.33 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 2jgm h GLY 210 CO -0.34 0.29 -0.48 -0.33 0.00 0.00 0.00 176.54 175.68 2jgm h MET 211 N 0.95 0.23 -0.58 4.80 2.86 0.22 -2.23 114.93 121.18 2jgm h MET 211 Ca 0.33 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2jgm h MET 211 Cb 0.07 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2jgm h MET 211 CO -0.13 0.67 0.07 0.45 1.06 0.00 0.00 176.91 179.03 2jgm h HIS 212 N 0.19 1.00 -0.17 -0.22 3.86 -0.69 0.15 115.15 119.27 2jgm h HIS 212 Ca 0.01 -0.13 0.05 0.00 -1.16 0.00 0.00 60.37 59.14 2jgm h HIS 212 Cb 0.92 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2jgm h HIS 212 CO 0.02 0.86 0.13 0.82 0.86 0.00 0.00 177.93 180.62 2jgm h ILE 213 N 0.89 0.76 -0.00 2.45 2.04 -0.70 -2.76 117.51 120.18 2jgm h ILE 213 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2jgm h ILE 213 Cb 0.42 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2jgm h ILE 213 CO 0.01 0.00 -0.85 0.18 0.00 0.00 0.00 178.15 177.49 2jgm n LEU 214 N -4.25 1.25 -4.38 1.44 4.77 -0.35 -4.88 117.00 110.59 2jgm n LEU 214 Ca 0.01 -0.57 -0.34 0.00 -0.03 0.00 0.00 56.01 55.08 2jgm n LEU 214 Cb 0.26 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 2jgm n LEU 214 CO 0.32 0.28 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.73 2jgm s SER 215 N -2.84 4.42 0.05 -1.43 0.15 0.38 -4.86 113.70 109.56 2jgm s SER 215 Ca 0.10 -0.29 -0.24 0.00 0.70 0.00 0.00 55.95 56.23 2jgm s SER 215 Cb 0.16 -1.73 -0.16 0.00 -1.71 0.00 0.00 66.02 62.58 2jgm s SER 215 CO 0.78 0.08 1.53 0.25 1.20 0.00 0.00 173.24 177.08 2jgm h LEU 216 N 7.40 0.06 -2.13 3.45 5.85 -1.84 -1.76 115.31 126.33 2jgm h LEU 216 Ca -0.35 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.19 2jgm h LEU 216 Cb 1.18 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2jgm h LEU 216 CO 0.60 0.27 0.31 -0.65 -0.34 0.00 0.00 178.44 178.63 2jgm h PRO 217 N -0.16 0.00 0.00 5.25 0.11 -1.95 -1.98 132.00 133.27 2jgm h PRO 217 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2jgm h PRO 217 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2jgm h PRO 217 CO 0.00 0.00 -1.38 0.43 -0.21 0.00 0.00 178.00 176.84 2jgm n SER 218 N -3.35 0.48 0.29 -2.05 7.64 -0.71 -4.11 113.62 111.81 2jgm n SER 218 Ca 0.01 0.05 0.15 0.00 1.01 0.00 0.00 58.87 60.10 2jgm n SER 218 Cb 0.41 1.11 0.88 0.00 -1.01 0.00 0.00 64.21 65.61 2jgm n SER 218 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jgm h ARG 219 N 0.00 0.00 -0.34 1.43 2.47 -0.82 -2.56 114.38 114.56 2jgm h ARG 219 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jgm h ARG 219 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 2jgm h ARG 219 CO 0.00 0.04 0.00 -1.13 0.56 0.00 0.00 179.97 179.44 2jgm n SER 220 N -3.70 1.48 -0.01 7.04 3.41 -1.26 -3.97 113.62 116.61 2jgm n SER 220 Ca -0.03 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 2jgm n SER 220 Cb 0.13 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2jgm n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgm n LEU 221 N 0.20 1.78 -3.67 1.04 4.77 -0.96 -5.03 117.00 115.12 2jgm n LEU 221 Ca 0.08 -1.76 -0.06 0.00 -0.03 0.00 0.00 56.01 54.24 2jgm n LEU 221 Cb 0.26 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 2jgm n LEU 221 CO 0.06 0.44 0.65 0.72 -1.33 0.00 0.00 177.39 177.94 2jgm s PHE 222 N -0.77 -0.23 0.00 -1.77 -0.71 -1.25 -4.89 117.98 108.36 2jgm s PHE 222 Ca 0.00 -0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.85 2jgm s PHE 222 Cb 0.00 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 2jgm s PHE 222 CO 0.00 -0.81 0.00 0.72 -1.34 0.00 0.00 175.22 173.79 2jgm n HIS 223 N -0.40 0.00 -4.50 3.49 8.25 0.27 -4.95 115.22 117.37 2jgm n HIS 223 Ca -0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.14 2jgm n HIS 223 Cb 0.61 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.62 2jgm n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jgm s ARG 224 N -1.85 1.73 -0.15 -0.41 0.52 -1.08 -4.39 118.95 113.32 2jgm s ARG 224 Ca 0.00 -1.89 -0.11 0.00 -0.52 0.00 0.00 55.73 53.21 2jgm s ARG 224 Cb 0.00 -1.50 0.04 0.00 0.52 0.00 0.00 34.95 34.02 2jgm s ARG 224 CO 0.00 0.09 0.38 0.00 0.02 0.00 0.00 175.30 175.79 2jgm s ALA 225 N -2.77 -0.94 -0.15 2.13 0.00 -1.00 -1.18 121.76 117.86 2jgm s ALA 225 Ca 0.32 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.49 2jgm s ALA 225 Cb 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2jgm s ALA 225 CO 0.15 -0.21 -0.18 0.08 0.00 0.00 0.00 175.76 175.60 2jgm s VAL 226 N 0.63 2.39 -0.35 0.00 1.01 0.39 -1.73 120.40 122.75 2jgm s VAL 226 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2jgm s VAL 226 Cb -0.05 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.43 2jgm s VAL 226 CO -0.04 0.53 0.08 -0.76 0.00 0.00 0.00 175.10 174.91 2jgm s LEU 227 N 0.78 4.60 -0.39 3.92 1.02 -0.43 -2.19 118.68 126.00 2jgm s LEU 227 Ca -0.07 -1.83 -0.16 0.00 0.02 0.00 0.00 54.13 52.09 2jgm s LEU 227 Cb -0.16 -1.71 0.01 0.00 0.02 0.00 0.00 46.19 44.35 2jgm s LEU 227 CO -0.00 -0.39 0.36 -1.10 0.02 0.00 0.00 176.35 175.24 2jgm s GLN 228 N 1.09 3.25 -1.35 1.70 -0.21 -0.33 -2.80 119.66 121.00 2jgm s GLN 228 Ca 0.04 -0.70 -0.08 0.00 0.02 0.00 0.00 55.36 54.65 2jgm s GLN 228 Cb -0.21 -3.90 0.02 0.00 1.00 0.00 0.00 33.01 29.92 2jgm s GLN 228 CO -0.05 -0.68 1.10 0.43 -2.12 0.00 0.00 175.29 173.96 2jgm n SER 229 N 5.38 -5.03 -3.51 5.90 7.64 -0.39 -4.12 113.62 119.49 2jgm n SER 229 Ca -0.09 -0.61 -0.08 0.00 1.01 0.00 0.00 58.87 59.10 2jgm n SER 229 Cb 0.48 -4.83 -0.02 0.00 -1.01 0.00 0.00 64.21 58.83 2jgm n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jgm s GLY 230 N -3.58 -0.46 0.02 0.23 0.00 -1.26 -4.74 107.32 97.53 2jgm s GLY 230 Ca 0.45 1.05 -0.16 0.00 0.00 0.00 0.00 44.72 46.06 2jgm s GLY 230 CO 0.75 0.35 0.35 -0.51 0.00 0.00 0.00 173.10 174.03 2jgm s THR 231 N -3.08 0.06 0.14 0.90 -4.23 -1.26 -4.45 115.64 103.73 2jgm s THR 231 Ca 0.05 -0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 59.97 2jgm s THR 231 Cb -0.01 -0.83 -0.12 0.00 1.34 0.00 0.00 72.50 72.88 2jgm s THR 231 CO -0.09 -0.29 1.39 1.55 -0.54 0.00 0.00 174.62 176.64 2jgm h PRO 232 N 3.39 0.61 -7.32 3.99 0.13 -1.84 -3.40 132.00 127.56 2jgm h PRO 232 Ca -0.31 -0.48 -0.48 0.00 -0.87 0.00 0.00 66.00 63.86 2jgm h PRO 232 Cb 1.19 0.09 0.16 0.00 0.13 0.00 0.00 31.00 32.57 2jgm h PRO 232 CO 0.43 1.10 0.23 0.54 -0.23 0.00 0.00 178.00 180.07 2jgm s ASN 233 N -7.03 3.25 0.00 1.44 4.22 -1.26 -4.60 114.94 110.96 2jgm s ASN 233 Ca -0.08 1.55 0.00 0.00 -2.14 0.00 0.00 52.86 52.19 2jgm s ASN 233 Cb 0.10 -2.21 0.00 0.00 1.28 0.00 0.00 41.25 40.41 2jgm s ASN 233 CO 0.87 -2.79 0.00 0.61 -2.04 0.00 0.00 177.10 173.75 2jgm n GLY 234 N -0.88 1.49 0.10 0.45 0.00 -1.26 -4.78 105.19 100.32 2jgm n GLY 234 Ca 0.07 -2.15 0.12 0.00 0.00 0.00 0.00 46.02 44.06 2jgm n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jgm n PRO 235 N -0.06 0.18 -0.00 1.61 -0.04 -1.26 -4.10 135.00 131.33 2jgm n PRO 235 Ca 0.00 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2jgm n PRO 235 Cb 0.00 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2jgm n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jgm n TRP 236 N -2.12 0.00 1.13 0.54 4.27 -1.26 -4.74 117.44 115.26 2jgm n TRP 236 Ca 0.04 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.78 2jgm n TRP 236 Cb 0.29 -0.00 0.53 0.00 -1.36 0.00 0.00 31.31 30.77 2jgm n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jgm n ALA 237 N -1.27 2.78 -2.62 -1.67 0.00 -1.26 -4.93 120.51 111.54 2jgm n ALA 237 Ca -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 2jgm n ALA 237 Cb 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 2jgm n ALA 237 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jgm s THR 238 N -2.83 0.10 0.02 0.00 -4.23 -1.26 -3.72 115.64 103.71 2jgm s THR 238 Ca 0.18 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2jgm s THR 238 Cb 0.19 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.38 2jgm s THR 238 CO 0.56 -0.46 -0.05 0.68 -0.54 0.00 0.00 174.62 174.81 2jgm s VAL 239 N -3.93 0.37 0.59 2.29 -7.23 -0.41 -4.97 120.40 107.12 2jgm s VAL 239 Ca 0.12 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.51 2jgm s VAL 239 Cb 0.04 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 2jgm s VAL 239 CO -0.05 -0.16 1.20 -0.94 -0.31 0.00 0.00 175.10 174.85 2jgm s SER 240 N -0.81 5.23 0.29 4.85 1.04 -1.26 -0.77 113.70 122.28 2jgm s SER 240 Ca -0.05 2.38 0.04 0.00 0.48 0.00 0.00 55.95 58.80 2jgm s SER 240 Cb -0.06 -2.60 0.69 0.00 0.10 0.00 0.00 66.02 64.16 2jgm s SER 240 CO -0.00 -1.56 1.77 0.00 0.98 0.00 0.00 173.24 174.42 2jgm h ALA 241 N 0.93 1.56 -0.35 5.32 0.00 -1.95 0.11 119.26 124.87 2jgm h ALA 241 Ca -0.50 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2jgm h ALA 241 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2jgm h ALA 241 CO 0.55 -0.08 -0.08 0.78 0.00 0.00 0.00 179.25 180.42 2jgm h GLY 242 N 0.70 0.73 0.84 0.00 0.00 -1.93 -0.84 103.07 102.58 2jgm h GLY 242 Ca 0.55 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2jgm h GLY 242 CO -0.39 0.55 -0.02 -2.09 0.00 0.00 0.00 176.54 174.58 2jgm h GLU 243 N 0.47 0.44 -0.14 4.80 4.57 -1.66 -1.47 114.58 121.59 2jgm h GLU 243 Ca 0.09 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2jgm h GLU 243 Cb 0.58 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2jgm h GLU 243 CO 0.03 0.64 0.10 0.00 -1.18 0.00 0.00 179.01 178.60 2jgm h ALA 244 N 0.79 2.01 -0.06 2.92 0.00 -0.71 -1.19 119.26 123.02 2jgm h ALA 244 Ca 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2jgm h ALA 244 Cb 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jgm h ALA 244 CO 0.02 -0.04 -0.77 -0.09 0.00 0.00 0.00 179.25 178.37 2jgm h ARG 245 N 0.10 0.40 0.02 0.00 2.43 -0.67 -2.35 114.38 114.31 2jgm h ARG 245 Ca 0.06 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2jgm h ARG 245 Cb 0.12 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2jgm h ARG 245 CO -0.01 0.99 -0.01 -0.09 -1.51 0.00 0.00 179.97 179.35 2jgm h ARG 246 N 0.27 -0.02 -0.49 0.20 2.43 -0.20 -1.96 114.38 114.61 2jgm h ARG 246 Ca -0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2jgm h ARG 246 Cb 1.35 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 2jgm h ARG 246 CO 0.13 0.19 0.18 0.00 -1.51 0.00 0.00 179.97 178.96 2jgm h ARG 247 N -0.24 0.74 -0.80 0.20 3.08 -1.33 0.94 114.38 116.97 2jgm h ARG 247 Ca -0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2jgm h ARG 247 Cb 0.23 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2jgm h ARG 247 CO 0.00 0.68 0.52 0.00 -1.07 0.00 0.00 179.97 180.10 2jgm h ALA 248 N 1.03 1.01 -0.26 0.04 0.00 -1.39 0.20 119.26 119.89 2jgm h ALA 248 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jgm h ALA 248 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jgm h ALA 248 CO -0.01 0.44 0.03 1.15 0.00 0.00 0.00 179.25 180.86 2jgm h THR 249 N 1.09 1.24 -0.17 0.00 2.02 -0.95 -1.20 112.91 114.93 2jgm h THR 249 Ca 0.29 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2jgm h THR 249 Cb -0.10 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2jgm h THR 249 CO -0.06 0.26 0.11 0.25 0.37 0.00 0.00 175.52 176.45 2jgm h LEU 250 N 0.24 0.18 -0.98 2.58 5.85 -0.32 -1.33 115.31 121.52 2jgm h LEU 250 Ca 0.08 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2jgm h LEU 250 Cb 0.37 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2jgm h LEU 250 CO 0.01 0.13 0.65 0.25 -0.34 0.00 0.00 178.44 179.14 2jgm h LEU 251 N 0.22 1.10 -0.15 2.25 5.85 -0.53 -2.22 115.31 121.83 2jgm h LEU 251 Ca 0.07 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2jgm h LEU 251 Cb -0.01 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2jgm h LEU 251 CO -0.03 0.78 -0.05 0.00 -0.34 0.00 0.00 178.44 178.80 2jgm h ALA 252 N 1.38 0.08 -0.65 1.25 0.00 -0.42 -1.91 119.26 119.00 2jgm h ALA 252 Ca 0.37 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.43 2jgm h ALA 252 Cb -0.08 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2jgm h ALA 252 CO -0.10 -0.49 0.31 0.00 0.00 0.00 0.00 179.25 178.97 2jgm h ARG 253 N -0.02 0.54 -0.59 0.00 3.08 -0.91 -0.05 114.38 116.42 2jgm h ARG 253 Ca 0.08 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2jgm h ARG 253 Cb 0.14 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2jgm h ARG 253 CO -0.17 0.36 0.39 -0.07 -1.07 0.00 0.00 179.97 179.41 2jgm h LEU 254 N 0.55 0.56 -0.68 3.04 3.38 -0.76 0.23 115.31 121.64 2jgm h LEU 254 Ca 0.31 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2jgm h LEU 254 Cb 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jgm h LEU 254 CO -0.25 0.38 -0.36 1.33 0.09 0.00 0.00 178.44 179.63 2jgm n VAL 255 N -4.47 0.00 -0.21 1.22 0.24 -0.91 -4.99 118.33 109.21 2jgm n VAL 255 Ca 0.08 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2jgm n VAL 255 Cb 0.17 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 2jgm n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgm n GLY 256 N 1.38 0.73 2.66 7.63 0.00 0.07 -5.09 105.19 112.56 2jgm n GLY 256 Ca 0.11 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 2jgm n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgm n ASN 265 N -1.58 0.00 0.06 0.00 4.05 -1.26 -4.84 115.26 111.69 2jgm n ASN 265 Ca -0.03 0.65 0.02 0.00 0.45 0.00 0.00 54.58 55.66 2jgm n ASN 265 Cb 0.44 -0.97 0.36 0.00 1.23 0.00 0.00 39.78 40.84 2jgm n ASN 265 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2jgm h ASP 266 N 3.05 0.35 -0.44 1.20 3.32 -2.01 -3.20 116.42 118.68 2jgm h ASP 266 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2jgm h ASP 266 Cb 0.00 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2jgm h ASP 266 CO 0.00 0.44 0.29 0.74 -1.72 0.00 0.00 179.24 178.99 2jgm h THR 267 N 0.36 1.12 -0.61 0.35 2.02 -2.02 -2.40 112.91 111.72 2jgm h THR 267 Ca 0.08 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2jgm h THR 267 Cb 0.31 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2jgm h THR 267 CO 0.01 0.11 0.29 -0.33 0.37 0.00 0.00 175.52 175.98 2jgm h GLU 268 N 0.60 0.89 0.42 6.66 5.08 -1.98 -0.53 114.58 125.71 2jgm h GLU 268 Ca 0.16 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2jgm h GLU 268 Cb -0.06 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2jgm h GLU 268 CO -0.03 0.72 -0.20 1.25 -1.00 0.00 0.00 179.01 179.74 2jgm h LEU 269 N 0.84 -0.48 -0.72 1.33 5.85 -1.56 0.31 115.31 120.89 2jgm h LEU 269 Ca 0.21 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 2jgm h LEU 269 Cb 0.13 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2jgm h LEU 269 CO -0.03 -0.27 0.03 0.40 -0.34 0.00 0.00 178.44 178.23 2jgm h ILE 270 N -0.65 1.26 -0.88 4.05 2.04 -1.47 0.15 117.51 122.00 2jgm h ILE 270 Ca -0.06 -1.09 0.08 0.00 1.00 0.00 0.00 64.86 64.79 2jgm h ILE 270 Cb 0.48 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 2jgm h ILE 270 CO 0.09 0.40 0.54 0.00 0.00 0.00 0.00 178.15 179.18 2jgm h ALA 271 N 1.09 1.24 0.85 1.87 0.00 -0.87 0.10 119.26 123.54 2jgm h ALA 271 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2jgm h ALA 271 Cb 0.50 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jgm h ALA 271 CO 0.02 0.24 -0.41 0.00 0.00 0.00 0.00 179.25 179.11 2jgm h LEU 273 N -1.29 -0.40 -2.02 0.00 3.38 -0.28 0.38 115.31 115.09 2jgm h LEU 273 Ca -0.12 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jgm h LEU 273 Cb 0.88 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2jgm h LEU 273 CO 0.19 -0.30 0.00 0.03 0.09 0.00 0.00 178.44 178.45 2jgm h ARG 274 N 0.05 0.00 -0.01 1.13 3.08 -0.69 0.74 114.38 118.69 2jgm h ARG 274 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 2jgm h ARG 274 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2jgm h ARG 274 CO -0.85 0.00 -0.20 0.25 -1.07 0.00 0.00 179.97 178.10 2jgm n THR 275 N -3.03 0.00 -2.85 2.04 -2.24 0.13 -4.85 114.28 103.48 2jgm n THR 275 Ca -0.01 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 2jgm n THR 275 Cb 0.21 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 2jgm n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jgm s ARG 276 N -2.50 4.70 0.61 -0.78 1.81 0.25 -5.05 118.95 117.99 2jgm s ARG 276 Ca 0.26 1.33 -0.19 0.00 -1.72 0.00 0.00 55.73 55.41 2jgm s ARG 276 Cb 0.19 -3.30 -0.03 0.00 -0.45 0.00 0.00 34.95 31.36 2jgm s ARG 276 CO 0.50 0.46 1.20 -2.30 -0.68 0.00 0.00 175.30 174.48 2jgm n PRO 277 N 1.89 1.17 0.02 3.54 -0.02 -1.26 -4.92 135.00 135.42 2jgm n PRO 277 Ca -0.03 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 2jgm n PRO 277 Cb 0.48 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 2jgm n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jgm h ALA 278 N 0.72 -0.08 -0.81 3.55 0.00 -1.96 -2.31 119.26 118.37 2jgm h ALA 278 Ca -0.50 0.03 0.16 0.00 0.00 0.00 0.00 54.91 54.60 2jgm h ALA 278 Cb 1.34 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 2jgm h ALA 278 CO 0.53 -0.59 0.53 0.37 0.00 0.00 0.00 179.25 180.10 2jgm h GLN 279 N -0.17 0.45 -0.54 0.00 5.75 -1.99 -0.89 115.11 117.72 2jgm h GLN 279 Ca 0.06 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 2jgm h GLN 279 Cb 0.25 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 2jgm h GLN 279 CO -0.16 0.30 0.30 0.22 -2.65 0.00 0.00 178.83 176.83 2jgm h ASP 280 N 0.46 0.45 -0.33 -0.69 1.82 -1.78 0.19 116.42 116.55 2jgm h ASP 280 Ca 0.40 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 57.01 2jgm h ASP 280 Cb 0.88 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 2jgm h ASP 280 CO -0.14 0.31 -0.01 -0.07 -1.61 0.00 0.00 179.24 177.71 2jgm h LEU 281 N 0.58 0.57 -1.26 2.28 3.38 -1.14 -2.96 115.31 116.76 2jgm h LEU 281 Ca 0.23 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jgm h LEU 281 Cb 0.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2jgm h LEU 281 CO -0.14 0.75 0.43 0.58 0.09 0.00 0.00 178.44 180.15 2jgm h VAL 282 N 0.38 1.19 0.00 1.22 2.07 -0.90 -1.16 116.25 119.05 2jgm h VAL 282 Ca 0.09 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2jgm h VAL 282 Cb 0.47 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2jgm h VAL 282 CO 0.02 0.19 -0.00 0.44 0.02 0.00 0.00 177.57 178.24 2jgm h ASP 283 N 0.95 0.00 0.00 0.57 3.32 -0.48 -3.14 116.42 117.63 2jgm h ASP 283 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2jgm h ASP 283 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2jgm h ASP 283 CO -0.05 0.00 -0.62 1.41 -1.72 0.00 0.00 179.24 178.26 2jgm n HIS 284 N -3.10 0.00 0.17 4.55 8.25 -0.63 -4.64 115.22 119.83 2jgm n HIS 284 Ca -0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 2jgm n HIS 284 Cb 0.22 -0.04 0.50 0.00 1.12 0.00 0.00 29.99 31.79 2jgm n HIS 284 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2jgm n GLU 285 N -1.33 0.13 0.05 -0.41 0.28 -0.53 -0.89 120.64 117.93 2jgm n GLU 285 Ca 0.01 0.60 0.11 0.00 -0.16 0.00 0.00 57.16 57.72 2jgm n GLU 285 Cb 0.16 -1.89 0.01 0.00 1.43 0.00 0.00 31.44 31.16 2jgm n GLU 285 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2jgm n TRP 286 N -2.15 0.45 1.65 -1.84 7.02 -1.26 -4.17 117.44 117.14 2jgm n TRP 286 Ca -0.01 0.13 0.15 0.00 -1.02 0.00 0.00 57.50 56.75 2jgm n TRP 286 Cb 0.05 -0.60 0.74 0.00 -2.42 0.00 0.00 31.31 29.07 2jgm n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jgm n HIS 287 N -2.20 0.00 -0.10 -5.99 8.25 -0.07 -3.97 115.22 111.15 2jgm n HIS 287 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2jgm n HIS 287 Cb 0.48 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 2jgm n HIS 287 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jgm h VAL 288 N 0.64 1.28 -3.57 1.59 2.07 -1.72 -3.32 116.25 113.21 2jgm h VAL 288 Ca 0.00 -1.59 -0.70 0.00 0.82 0.00 0.00 66.70 65.22 2jgm h VAL 288 Cb 0.24 1.45 -0.35 0.00 -1.52 0.00 0.00 31.29 31.11 2jgm h VAL 288 CO 0.00 0.53 -0.32 -0.76 0.02 0.00 0.00 177.57 177.04 2jgm s LEU 289 N -8.79 5.36 0.22 2.57 1.43 -1.26 -4.88 118.68 113.34 2jgm s LEU 289 Ca -0.10 -2.89 -0.13 0.00 -1.03 0.00 0.00 54.13 49.98 2jgm s LEU 289 Cb 0.11 -1.88 0.27 0.00 0.03 0.00 0.00 46.19 44.72 2jgm s LEU 289 CO 0.88 -0.38 1.61 -0.65 0.23 0.00 0.00 176.35 178.04 2jgm h PRO 290 N 7.04 -0.00 0.00 1.29 0.11 -1.81 -3.42 132.00 135.20 2jgm h PRO 290 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2jgm h PRO 290 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2jgm h PRO 290 CO 0.72 -0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.54 2jgm n GLN 291 N -5.47 0.00 -1.78 1.05 6.02 -1.26 -4.73 117.38 111.22 2jgm n GLN 291 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 2jgm n GLN 291 Cb 0.36 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.59 2jgm n GLN 291 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jgm s GLU 292 N 0.00 4.16 -0.30 -1.09 2.02 -1.26 -4.91 118.70 117.32 2jgm s GLU 292 Ca 0.00 2.48 -0.17 0.00 0.02 0.00 0.00 54.97 57.31 2jgm s GLU 292 Cb 0.00 -4.03 0.18 0.00 0.10 0.00 0.00 34.13 30.39 2jgm s GLU 292 CO 0.00 -0.90 1.15 0.45 0.02 0.00 0.00 175.26 175.97 2jgm s SER 293 N 3.86 -0.27 -0.00 -0.19 0.15 -1.26 -4.63 113.70 111.36 2jgm s SER 293 Ca 0.83 0.40 -0.05 0.00 0.70 0.00 0.00 55.95 57.83 2jgm s SER 293 Cb -0.40 1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 65.09 2jgm s SER 293 CO 0.37 -0.06 0.62 0.40 1.20 0.00 0.00 173.24 175.78 2jgm h ILE 294 N 5.12 0.00 0.00 6.45 2.04 -1.88 -3.08 117.51 126.15 2jgm h ILE 294 Ca -0.21 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2jgm h ILE 294 Cb 1.15 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2jgm h ILE 294 CO 0.15 0.00 -0.07 0.49 0.00 0.00 0.00 178.15 178.72 2jgm n PHE 295 N -2.81 0.00 -2.46 1.37 3.01 -1.26 -4.68 117.46 110.63 2jgm n PHE 295 Ca -0.02 -0.97 -0.43 0.00 1.01 0.00 0.00 57.45 57.03 2jgm n PHE 295 Cb 0.07 -0.70 -0.02 0.00 -0.01 0.00 0.00 39.48 38.82 2jgm n PHE 295 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 2jgm s ARG 296 N 0.50 4.24 -0.14 -1.08 1.70 -1.17 -4.86 118.95 118.14 2jgm s ARG 296 Ca 0.14 1.62 -0.08 0.00 -0.47 0.00 0.00 55.73 56.94 2jgm s ARG 296 Cb 0.07 -3.73 0.05 0.00 -0.57 0.00 0.00 34.95 30.77 2jgm s ARG 296 CO 0.00 -0.68 0.34 -0.59 -1.08 0.00 0.00 175.30 173.29 2jgm s PHE 297 N 3.37 -0.48 0.07 5.89 -0.71 -1.26 -5.06 117.98 119.80 2jgm s PHE 297 Ca 0.53 1.07 0.11 0.00 -1.04 0.00 0.00 56.93 57.60 2jgm s PHE 297 Cb -0.21 0.17 0.06 0.00 -1.21 0.00 0.00 43.02 41.84 2jgm s PHE 297 CO 0.14 -0.29 1.43 0.77 -1.34 0.00 0.00 175.22 175.93 2jgm h SER 298 N 7.02 0.00 -3.87 1.98 0.02 -1.95 -3.41 113.55 113.34 2jgm h SER 298 Ca -0.37 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.90 2jgm h SER 298 Cb 1.17 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.34 2jgm h SER 298 CO 0.32 0.73 -0.58 -0.36 -1.14 0.00 0.00 176.83 175.80 2jgm s PHE 299 N -3.02 3.52 0.28 3.45 0.08 -1.26 -4.97 117.98 116.05 2jgm s PHE 299 Ca 0.01 -2.82 0.03 0.00 0.12 0.00 0.00 56.93 54.27 2jgm s PHE 299 Cb 0.10 -3.04 -0.06 0.00 -0.57 0.00 0.00 43.02 39.45 2jgm s PHE 299 CO 0.77 -0.89 0.05 0.14 -0.10 0.00 0.00 175.22 175.19 2jgm s VAL 300 N 0.51 0.97 -0.14 -0.44 -7.23 -1.26 -4.55 120.40 108.26 2jgm s VAL 300 Ca 0.13 -2.01 -0.41 0.00 -1.81 0.00 0.00 61.98 57.88 2jgm s VAL 300 Cb -0.22 -2.61 -0.18 0.00 0.56 0.00 0.00 36.38 33.93 2jgm s VAL 300 CO -0.04 -0.10 1.39 -2.65 -0.31 0.00 0.00 175.10 173.38 2jgm n PRO 301 N -0.54 0.54 -3.45 4.82 -0.02 -1.24 -4.65 135.00 130.45 2jgm n PRO 301 Ca -0.02 0.20 -0.38 0.00 -2.02 0.00 0.00 63.50 61.27 2jgm n PRO 301 Cb 0.66 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 2jgm n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jgm s VAL 302 N 1.45 5.03 -0.84 -1.45 0.11 -1.26 -1.28 120.40 122.16 2jgm s VAL 302 Ca 0.94 0.88 -0.25 0.00 -2.93 0.00 0.00 61.98 60.62 2jgm s VAL 302 Cb -1.19 -3.74 -0.01 0.00 -1.53 0.00 0.00 36.38 29.91 2jgm s VAL 302 CO 0.61 0.54 1.71 -0.69 -3.33 0.00 0.00 175.10 173.94 2jgm s VAL 303 N -0.79 3.58 -2.32 2.04 1.01 0.05 -4.66 120.40 119.31 2jgm s VAL 303 Ca 0.24 -0.23 0.19 0.00 0.00 0.00 0.00 61.98 62.18 2jgm s VAL 303 Cb -0.17 -4.38 0.21 0.00 0.00 0.00 0.00 36.38 32.04 2jgm s VAL 303 CO 0.13 -1.31 1.16 -0.90 0.00 0.00 0.00 175.10 174.18 2jgm n ASP 304 N 11.79 2.76 -0.04 3.32 5.75 -1.21 -3.77 116.55 135.15 2jgm n ASP 304 Ca 0.29 -1.84 -0.01 0.00 -0.01 0.00 0.00 54.79 53.23 2jgm n ASP 304 Cb 0.49 -0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2jgm n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jgm n GLY 305 N 1.12 0.20 0.00 6.12 0.00 -0.12 -4.85 105.19 107.66 2jgm n GLY 305 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jgm n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgm n ASP 306 N -0.69 0.00 -0.06 1.61 2.03 -1.26 -4.61 116.55 113.57 2jgm n ASP 306 Ca -0.01 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 2jgm n ASP 306 Cb 0.36 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.74 2jgm n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jgm h PHE 307 N 0.00 -0.05 -3.63 -0.67 3.04 -1.92 -3.33 116.94 110.38 2jgm h PHE 307 Ca 0.00 0.02 -0.70 0.00 3.98 0.00 0.00 57.97 61.27 2jgm h PHE 307 Cb 0.00 0.06 -0.29 0.00 2.56 0.00 0.00 35.95 38.28 2jgm h PHE 307 CO 0.00 -0.06 -0.59 -0.51 -2.02 0.00 0.00 178.31 175.13 2jgm s LEU 308 N -10.41 4.51 0.25 0.59 1.43 -1.26 -4.57 118.68 109.22 2jgm s LEU 308 Ca -0.13 -1.30 0.24 0.00 -1.03 0.00 0.00 54.13 51.91 2jgm s LEU 308 Cb 0.11 -1.87 0.94 0.00 0.03 0.00 0.00 46.19 45.40 2jgm s LEU 308 CO 0.69 -0.38 1.73 -1.54 0.23 0.00 0.00 176.35 177.09 2jgm n SER 309 N 4.79 0.71 -3.76 2.29 3.41 -1.25 -0.94 113.62 118.87 2jgm n SER 309 Ca -0.11 0.64 -0.04 0.00 -0.26 0.00 0.00 58.87 59.11 2jgm n SER 309 Cb 0.44 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.57 2jgm n SER 309 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jgm s ASP 310 N -4.33 -0.18 0.60 4.04 2.15 -1.26 -4.49 116.67 113.21 2jgm s ASP 310 Ca 0.06 -0.42 -0.19 0.00 0.43 0.00 0.00 52.55 52.43 2jgm s ASP 310 Cb 0.10 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 43.18 2jgm s ASP 310 CO 0.45 -0.93 1.08 0.35 -0.17 0.00 0.00 175.17 175.95 2jgm n THR 311 N -0.47 3.99 -0.27 1.71 -2.24 -1.26 -4.75 114.28 110.98 2jgm n THR 311 Ca -0.06 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.25 2jgm n THR 311 Cb 0.61 -1.28 0.25 0.00 -2.10 0.00 0.00 70.33 67.80 2jgm n THR 311 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2jgm h PRO 312 N 0.61 0.99 -0.22 -0.78 0.11 -1.98 -1.57 132.00 129.15 2jgm h PRO 312 Ca -0.49 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.59 2jgm h PRO 312 Cb 1.35 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2jgm h PRO 312 CO 0.52 0.65 0.02 0.93 -0.21 0.00 0.00 178.00 179.91 2jgm h GLU 313 N 1.02 0.09 -0.15 1.05 3.07 -1.91 0.45 114.58 118.19 2jgm h GLU 313 Ca 0.35 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.25 2jgm h GLU 313 Cb 0.10 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.94 2jgm h GLU 313 CO -0.11 0.06 -0.20 0.00 -1.40 0.00 0.00 179.01 177.35 2jgm h ALA 314 N 1.18 -0.13 -0.32 3.43 0.00 -1.79 -2.05 119.26 119.57 2jgm h ALA 314 Ca 0.10 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2jgm h ALA 314 Cb 0.12 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jgm h ALA 314 CO -0.16 -0.65 -0.15 -0.07 0.00 0.00 0.00 179.25 178.22 2jgm h LEU 315 N -0.24 0.56 -0.50 0.00 3.38 -0.36 -2.21 115.31 115.93 2jgm h LEU 315 Ca 0.11 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2jgm h LEU 315 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2jgm h LEU 315 CO -0.30 0.73 -0.20 0.16 0.09 0.00 0.00 178.44 178.93 2jgm h ILE 316 N 0.52 0.38 -0.11 1.22 3.07 -0.03 -2.45 117.51 120.11 2jgm h ILE 316 Ca 0.09 -1.29 -0.18 0.00 1.55 0.00 0.00 64.86 65.02 2jgm h ILE 316 Cb 0.55 1.98 -0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2jgm h ILE 316 CO 0.04 0.19 -0.69 0.78 -1.05 0.00 0.00 178.15 177.42 2jgm h ASN 317 N 0.00 0.57 0.00 2.16 2.35 -0.77 -3.40 115.58 116.49 2jgm h ASN 317 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2jgm h ASN 317 Cb 0.97 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2jgm h ASN 317 CO 0.03 1.09 -0.03 0.35 -1.65 0.00 0.00 177.43 177.21 2jgm n THR 318 N -3.88 0.84 -2.89 2.81 -2.24 -0.98 -5.01 114.28 102.94 2jgm n THR 318 Ca -0.04 -0.90 -0.23 0.00 -2.27 0.00 0.00 64.05 60.60 2jgm n THR 318 Cb 0.69 0.50 0.02 0.00 -2.10 0.00 0.00 70.33 69.43 2jgm n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jgm s GLY 319 N -1.07 1.59 -0.47 3.38 0.00 -0.93 -5.05 107.32 104.78 2jgm s GLY 319 Ca 0.05 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 2jgm s GLY 319 CO 0.00 -0.84 0.36 -0.35 0.00 0.00 0.00 173.10 172.27 2jgm s ASP 320 N -4.24 5.87 -0.52 1.64 2.15 -1.26 -4.86 116.67 115.44 2jgm s ASP 320 Ca 0.50 -1.66 0.02 0.00 0.43 0.00 0.00 52.55 51.83 2jgm s ASP 320 Cb -0.10 -2.08 0.47 0.00 -0.30 0.00 0.00 42.92 40.91 2jgm s ASP 320 CO 0.39 -0.67 1.76 0.49 -0.17 0.00 0.00 175.17 176.96 2jgm n PHE 321 N 5.04 2.95 0.09 -5.34 3.72 -0.66 -4.66 117.46 118.59 2jgm n PHE 321 Ca -0.11 -2.64 -0.02 0.00 -0.05 0.00 0.00 57.45 54.63 2jgm n PHE 321 Cb 0.42 -1.05 0.21 0.00 -0.94 0.00 0.00 39.48 38.12 2jgm n PHE 321 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2jgm h GLN 322 N 1.92 0.26 -0.77 -1.08 4.15 -1.66 -2.43 115.11 115.50 2jgm h GLN 322 Ca 0.52 -0.12 -0.18 0.00 0.77 0.00 0.00 58.65 59.63 2jgm h GLN 322 Cb 1.21 -0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.79 2jgm h GLN 322 CO 1.25 0.64 0.23 -0.40 -1.93 0.00 0.00 178.83 178.62 2jgm n ASP 323 N -4.02 4.70 -4.08 -0.69 5.75 -1.26 -4.69 116.55 112.27 2jgm n ASP 323 Ca -0.02 -3.09 -0.28 0.00 -0.01 0.00 0.00 54.79 51.40 2jgm n ASP 323 Cb 0.49 -0.73 -0.17 0.00 -1.03 0.00 0.00 41.12 39.68 2jgm n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jgm s LEU 324 N -2.71 1.77 -0.25 -2.12 2.96 -1.18 -5.04 118.68 112.11 2jgm s LEU 324 Ca 0.51 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 2jgm s LEU 324 Cb 0.40 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 2jgm s LEU 324 CO 0.13 0.05 0.02 -1.10 -1.32 0.00 0.00 176.35 174.13 2jgm s GLN 325 N 0.71 3.39 0.08 1.98 1.11 -1.26 -1.34 119.66 124.33 2jgm s GLN 325 Ca -0.13 -0.64 0.08 0.00 0.01 0.00 0.00 55.36 54.68 2jgm s GLN 325 Cb -0.16 -3.19 -0.04 0.00 -1.01 0.00 0.00 33.01 28.61 2jgm s GLN 325 CO 0.03 -0.26 -0.16 0.14 0.01 0.00 0.00 175.29 175.06 2jgm s VAL 326 N 1.52 2.99 -0.13 1.09 -7.23 -0.19 -2.38 120.40 116.08 2jgm s VAL 326 Ca 0.05 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 2jgm s VAL 326 Cb -0.15 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 2jgm s VAL 326 CO 0.00 0.20 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.61 2jgm s LEU 327 N -1.89 2.51 0.07 1.32 2.96 -0.71 -1.48 118.68 121.46 2jgm s LEU 327 Ca 0.18 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2jgm s LEU 327 Cb -0.11 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2jgm s LEU 327 CO 0.09 0.14 -0.05 0.68 -1.32 0.00 0.00 176.35 175.89 2jgm s VAL 328 N 0.47 0.48 -0.22 1.68 -7.23 0.65 -1.31 120.40 114.91 2jgm s VAL 328 Ca -0.11 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2jgm s VAL 328 Cb -0.16 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.44 2jgm s VAL 328 CO 0.05 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.65 2jgm n GLY 329 N 0.39 -1.16 3.21 2.32 0.00 -1.12 -1.11 105.19 107.72 2jgm n GLY 329 Ca -0.15 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 2jgm n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jgm s VAL 330 N -2.03 0.09 0.31 1.61 -7.23 -1.06 -1.26 120.40 110.83 2jgm s VAL 330 Ca 0.00 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 2jgm s VAL 330 Cb 0.00 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 2jgm s VAL 330 CO 0.00 -0.42 0.45 0.68 -0.31 0.00 0.00 175.10 175.50 2jgm s VAL 331 N -4.02 4.50 0.25 1.32 -7.23 -1.26 0.24 120.40 114.20 2jgm s VAL 331 Ca 0.21 -0.93 -0.05 0.00 -1.81 0.00 0.00 61.98 59.40 2jgm s VAL 331 Cb 0.06 -3.58 0.23 0.00 0.56 0.00 0.00 36.38 33.65 2jgm s VAL 331 CO 0.01 -0.24 1.86 0.50 -0.31 0.00 0.00 175.10 176.91 2jgm h LYS 332 N 0.94 0.98 -2.48 4.82 3.64 -1.29 -3.31 116.57 119.86 2jgm h LYS 332 Ca -0.48 -0.06 -0.60 0.00 -1.27 0.00 0.00 60.65 58.24 2jgm h LYS 332 Cb 1.25 -0.22 -0.42 0.00 -0.41 0.00 0.00 32.23 32.43 2jgm h LYS 332 CO 0.56 0.65 -0.62 -0.25 -2.27 0.00 0.00 179.45 177.52 2jgm n ASP 333 N -4.60 3.26 -0.27 4.20 9.92 -0.83 -4.95 116.55 123.28 2jgm n ASP 333 Ca 0.13 -3.31 -0.05 0.00 -0.53 0.00 0.00 54.79 51.03 2jgm n ASP 333 Cb 0.18 -0.70 0.06 0.00 -0.64 0.00 0.00 41.12 40.03 2jgm n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jgm h GLU 334 N 4.60 1.01 0.00 -1.24 4.39 -1.77 -3.10 114.58 118.46 2jgm h GLU 334 Ca 0.18 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2jgm h GLU 334 Cb 0.71 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2jgm h GLU 334 CO 0.77 0.69 -0.56 0.41 -1.16 0.00 0.00 179.01 179.17 2jgm n GLY 335 N -1.23 -1.30 0.36 -3.84 0.00 -1.25 -3.93 105.19 93.98 2jgm n GLY 335 Ca 0.07 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2jgm n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgm h SER 336 N 0.00 -0.98 -0.88 1.61 4.64 -1.76 -2.14 113.55 114.04 2jgm h SER 336 Ca 0.00 0.11 0.25 0.00 -0.47 0.00 0.00 61.79 61.67 2jgm h SER 336 Cb 0.59 0.36 -0.16 0.00 -0.31 0.00 0.00 62.40 62.88 2jgm h SER 336 CO 0.00 -0.43 0.03 0.00 -0.87 0.00 0.00 176.83 175.56 2jgm n TYR 337 N -5.43 0.58 0.14 4.77 9.36 -1.26 -2.04 117.16 123.27 2jgm n TYR 337 Ca -0.07 1.06 -0.01 0.00 3.32 0.00 0.00 57.90 62.21 2jgm n TYR 337 Cb 0.34 -1.17 0.18 0.00 -0.63 0.00 0.00 39.34 38.06 2jgm n TYR 337 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2jgm h PHE 338 N 0.00 0.00 -0.63 2.98 -1.00 -1.67 -3.07 116.94 113.56 2jgm h PHE 338 Ca 0.54 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.41 2jgm h PHE 338 Cb 1.13 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.65 2jgm h PHE 338 CO -0.44 0.60 0.42 -0.07 -1.61 0.00 0.00 178.31 177.21 2jgm h LEU 339 N 0.00 0.46 -0.05 1.54 3.38 -1.41 -1.38 115.31 117.85 2jgm h LEU 339 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jgm h LEU 339 Cb 1.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2jgm h LEU 339 CO 0.08 0.29 0.00 1.33 0.09 0.00 0.00 178.44 180.22 2jgm n VAL 340 N -4.48 0.56 -2.37 1.22 0.24 -1.16 -1.77 118.33 110.58 2jgm n VAL 340 Ca 0.10 0.11 -0.41 0.00 -2.04 0.00 0.00 64.34 62.11 2jgm n VAL 340 Cb 0.32 -0.78 0.03 0.00 -1.47 0.00 0.00 33.84 31.93 2jgm n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgm n TYR 341 N -1.60 2.85 0.00 6.34 4.02 -0.52 -4.71 117.16 123.53 2jgm n TYR 341 Ca 0.05 -2.47 0.00 0.00 -0.01 0.00 0.00 57.90 55.47 2jgm n TYR 341 Cb 0.26 -1.20 0.00 0.00 -0.02 0.00 0.00 39.34 38.38 2jgm n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jgm n GLY 342 N -0.24 1.30 3.43 2.72 0.00 -1.24 -4.84 105.19 106.32 2jgm n GLY 342 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 2jgm n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgm s VAL 343 N -2.00 4.79 0.25 1.61 1.01 -0.73 -4.91 120.40 120.42 2jgm s VAL 343 Ca 0.00 -0.59 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 2jgm s VAL 343 Cb 0.00 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.69 2jgm s VAL 343 CO 0.00 -0.12 1.55 -2.65 0.00 0.00 0.00 175.10 173.89 2jgm n PRO 344 N 5.03 2.43 0.00 2.72 -0.02 -1.26 -2.41 135.00 141.50 2jgm n PRO 344 Ca -0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2jgm n PRO 344 Cb 0.48 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2jgm n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgm n GLY 345 N 2.58 2.78 3.80 -1.23 0.00 -1.26 -4.95 105.19 106.91 2jgm n GLY 345 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2jgm n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jgm s PHE 346 N -2.51 3.48 0.04 1.61 0.40 -1.01 -4.61 117.98 115.37 2jgm s PHE 346 Ca 0.00 0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 56.59 2jgm s PHE 346 Cb 0.00 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.56 2jgm s PHE 346 CO 0.00 0.55 0.33 0.45 0.70 0.00 0.00 175.22 177.25 2jgm s SER 347 N -0.54 -0.17 0.33 1.36 0.15 -1.26 -4.66 113.70 108.91 2jgm s SER 347 Ca 0.12 -0.11 0.26 0.00 0.70 0.00 0.00 55.95 56.92 2jgm s SER 347 Cb -0.12 0.37 0.96 0.00 -1.71 0.00 0.00 66.02 65.52 2jgm s SER 347 CO 0.02 -0.61 1.78 0.07 1.20 0.00 0.00 173.24 175.70 2jgm h LYS 348 N 3.24 0.00 0.00 5.44 2.10 -1.99 -3.35 116.57 122.02 2jgm h LYS 348 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2jgm h LYS 348 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2jgm h LYS 348 CO 0.45 0.00 -1.58 -0.25 -2.00 0.00 0.00 179.45 176.07 2jgm n ASP 349 N -2.52 0.49 -4.50 7.07 8.00 -1.26 -4.50 116.55 119.33 2jgm n ASP 349 Ca 0.03 -0.38 -0.29 0.00 0.71 0.00 0.00 54.79 54.86 2jgm n ASP 349 Cb 0.33 1.59 -0.08 0.00 -0.02 0.00 0.00 41.12 42.93 2jgm n ASP 349 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jgm s ASN 350 N -3.84 3.51 0.00 -2.24 2.20 -1.26 -5.04 114.94 108.27 2jgm s ASN 350 Ca -0.02 -1.61 0.22 0.00 -0.94 0.00 0.00 52.86 50.51 2jgm s ASN 350 Cb 0.14 0.37 1.30 0.00 -2.00 0.00 0.00 41.25 41.06 2jgm s ASN 350 CO 0.86 -0.82 1.79 -0.62 -2.94 0.00 0.00 177.10 175.37 2jgm n GLU 351 N -1.07 0.92 -2.22 3.55 -0.58 -1.26 -4.67 120.64 115.31 2jgm n GLU 351 Ca -0.12 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.46 2jgm n GLU 351 Cb 0.66 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 30.14 2jgm n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jgm n SER 352 N -0.87 -4.63 -4.64 1.62 7.64 -1.26 -4.92 113.62 106.56 2jgm n SER 352 Ca 0.16 0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.79 2jgm n SER 352 Cb 0.07 -3.96 -0.03 0.00 -1.01 0.00 0.00 64.21 59.29 2jgm n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jgm s LEU 353 N -5.43 4.06 0.29 -3.43 1.43 -1.26 -4.70 118.68 109.63 2jgm s LEU 353 Ca 0.00 2.20 0.07 0.00 -1.03 0.00 0.00 54.13 55.38 2jgm s LEU 353 Cb 0.00 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2jgm s LEU 353 CO 0.00 -1.30 0.22 0.27 0.23 0.00 0.00 176.35 175.77 2jgm s ILE 354 N 5.51 3.92 0.64 -0.59 -4.36 -1.22 -4.99 121.20 120.11 2jgm s ILE 354 Ca 0.86 -1.44 -0.08 0.00 -0.26 0.00 0.00 60.65 59.73 2jgm s ILE 354 Cb -0.35 -3.25 0.02 0.00 1.25 0.00 0.00 42.46 40.13 2jgm s ILE 354 CO 0.36 -0.27 0.98 -0.94 0.24 0.00 0.00 174.94 175.31 2jgm s SER 355 N -3.90 5.39 0.26 4.36 1.04 -1.26 -4.19 113.70 115.40 2jgm s SER 355 Ca 0.36 0.77 -0.05 0.00 0.48 0.00 0.00 55.95 57.52 2jgm s SER 355 Cb -0.07 -1.64 0.30 0.00 0.10 0.00 0.00 66.02 64.71 2jgm s SER 355 CO 0.25 -1.25 1.91 -0.09 0.98 0.00 0.00 173.24 175.05 2jgm h ARG 356 N -0.39 1.23 -0.56 4.02 2.43 -1.89 -1.27 114.38 117.94 2jgm h ARG 356 Ca -0.45 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2jgm h ARG 356 Cb 1.27 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 2jgm h ARG 356 CO 0.62 0.85 0.35 0.00 -1.51 0.00 0.00 179.97 180.27 2jgm h ALA 357 N 1.37 0.71 0.00 2.80 0.00 -1.98 -1.53 119.26 120.63 2jgm h ALA 357 Ca 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2jgm h ALA 357 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2jgm h ALA 357 CO -0.06 0.19 -0.18 1.96 0.00 0.00 0.00 179.25 181.15 2jgm h GLN 358 N 0.76 0.00 0.32 0.00 4.20 -1.74 -1.58 115.11 117.07 2jgm h GLN 358 Ca 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 2jgm h GLN 358 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2jgm h GLN 358 CO -0.04 0.18 -0.16 0.35 -0.67 0.00 0.00 178.83 178.49 2jgm h PHE 359 N 0.00 -0.40 -0.97 2.96 -0.00 -0.32 -0.96 116.94 117.25 2jgm h PHE 359 Ca -0.00 -0.01 0.13 0.00 -0.00 0.00 0.00 57.97 58.09 2jgm h PHE 359 Cb 0.39 0.13 -0.08 0.00 -0.00 0.00 0.00 35.95 36.39 2jgm h PHE 359 CO 0.00 -0.09 0.61 -0.07 -0.00 0.00 0.00 178.31 178.77 2jgm h LEU 360 N -0.98 0.85 -0.69 0.59 3.38 -1.22 0.13 115.31 117.37 2jgm h LEU 360 Ca -0.04 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2jgm h LEU 360 Cb 0.50 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2jgm h LEU 360 CO 0.07 0.45 0.30 0.00 0.09 0.00 0.00 178.44 179.35 2jgm h ALA 361 N 1.56 0.89 0.00 1.53 0.00 -1.31 -2.63 119.26 119.31 2jgm h ALA 361 Ca 0.48 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2jgm h ALA 361 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jgm h ALA 361 CO -0.25 0.49 -0.40 0.78 0.00 0.00 0.00 179.25 179.87 2jgm h GLY 362 N 0.97 0.00 1.84 0.00 0.00 0.39 -2.99 103.07 103.29 2jgm h GLY 362 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.44 2jgm h GLY 362 CO -0.02 0.00 -0.52 -2.08 0.00 0.00 0.00 176.54 173.92 2jgm h VAL 363 N 0.00 1.36 -0.16 4.60 2.07 -0.74 0.19 116.25 123.56 2jgm h VAL 363 Ca -0.00 -1.78 -0.11 0.00 0.82 0.00 0.00 66.70 65.62 2jgm h VAL 363 Cb 0.71 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2jgm h VAL 363 CO 0.05 0.52 -0.39 0.03 0.02 0.00 0.00 177.57 177.81 2jgm h ARG 364 N 0.13 0.36 0.24 1.57 2.47 -1.34 -1.40 114.38 116.42 2jgm h ARG 364 Ca 0.00 -0.17 -0.34 0.00 -1.26 0.00 0.00 59.98 58.21 2jgm h ARG 364 Cb 0.96 -0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.31 2jgm h ARG 364 CO 0.08 0.70 -1.50 0.82 0.56 0.00 0.00 179.97 180.63 2jgm h ILE 365 N 0.31 1.26 -0.09 2.04 2.04 -1.26 -3.08 117.51 118.73 2jgm h ILE 365 Ca 0.03 -2.71 -0.13 0.00 1.00 0.00 0.00 64.86 63.04 2jgm h ILE 365 Cb 0.82 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.91 2jgm h ILE 365 CO 0.07 0.82 -0.54 1.23 0.00 0.00 0.00 178.15 179.73 2jgm h GLY 366 N 0.32 0.28 -6.21 5.37 0.00 -0.71 -3.28 103.07 98.85 2jgm h GLY 366 Ca -0.26 -0.32 -0.60 0.00 0.00 0.00 0.00 47.33 46.15 2jgm h GLY 366 CO 0.26 0.29 -0.65 -0.62 0.00 0.00 0.00 176.54 175.82 2jgm n VAL 367 N -3.92 1.96 0.30 4.60 0.31 -0.53 -4.85 118.33 116.20 2jgm n VAL 367 Ca -0.02 -5.06 0.18 0.00 -0.01 0.00 0.00 64.34 59.43 2jgm n VAL 367 Cb 0.57 -2.09 0.85 0.00 -0.91 0.00 0.00 33.84 32.27 2jgm n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jgm h PRO 368 N 4.22 0.00 -0.85 5.55 0.13 -1.65 -2.37 132.00 137.02 2jgm h PRO 368 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 2jgm h PRO 368 Cb 0.69 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 2jgm h PRO 368 CO 0.79 0.00 0.05 0.00 -0.23 0.00 0.00 178.00 178.61 2jgm n GLN 369 N -2.94 2.49 -4.20 0.86 0.00 -1.26 -4.90 117.38 107.42 2jgm n GLN 369 Ca -0.01 -1.36 -0.34 0.00 0.00 0.00 0.00 57.00 55.29 2jgm n GLN 369 Cb 0.19 -1.78 -0.13 0.00 0.00 0.00 0.00 30.24 28.53 2jgm n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jgm s ALA 370 N -1.71 2.94 1.33 2.61 0.00 -0.89 -5.07 121.76 120.97 2jgm s ALA 370 Ca 0.24 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 2jgm s ALA 370 Cb 0.19 -1.65 0.34 0.00 0.00 0.00 0.00 23.12 22.00 2jgm s ALA 370 CO 0.07 -0.06 0.90 -1.13 0.00 0.00 0.00 175.76 175.53 2jgm n SER 371 N 4.08 -3.04 -0.06 0.00 3.41 -1.26 -4.69 113.62 112.05 2jgm n SER 371 Ca -0.17 -0.53 -0.07 0.00 -0.26 0.00 0.00 58.87 57.84 2jgm n SER 371 Cb 0.52 -1.11 0.11 0.00 -0.26 0.00 0.00 64.21 63.47 2jgm n SER 371 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jgm h ASP 372 N -3.18 0.72 -0.46 4.04 5.19 -1.99 -2.17 116.42 118.57 2jgm h ASP 372 Ca -0.52 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 55.58 2jgm h ASP 372 Cb 1.33 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 2jgm h ASP 372 CO 0.37 0.93 0.09 0.25 -3.12 0.00 0.00 179.24 177.76 2jgm h LEU 373 N 0.62 0.77 0.08 1.55 5.85 -1.95 -1.88 115.31 120.34 2jgm h LEU 373 Ca 0.09 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2jgm h LEU 373 Cb 0.72 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2jgm h LEU 373 CO 0.06 0.78 -0.04 0.00 -0.34 0.00 0.00 178.44 178.90 2jgm h ALA 374 N 1.32 -0.10 -0.91 1.25 0.00 -1.81 -1.33 119.26 117.68 2jgm h ALA 374 Ca 0.17 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2jgm h ALA 374 Cb 0.34 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2jgm h ALA 374 CO 0.00 -0.42 0.59 0.00 0.00 0.00 0.00 179.25 179.43 2jgm h ALA 375 N 0.51 1.59 -0.22 0.00 0.00 -1.31 0.96 119.26 120.79 2jgm h ALA 375 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jgm h ALA 375 Cb 0.33 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2jgm h ALA 375 CO 0.02 0.24 -0.05 1.49 0.00 0.00 0.00 179.25 180.94 2jgm h GLU 376 N 0.94 0.00 -0.07 0.00 4.57 -1.17 -1.57 114.58 117.28 2jgm h GLU 376 Ca 0.42 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.62 2jgm h GLU 376 Cb 0.35 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 2jgm h GLU 376 CO -0.18 0.00 -0.06 0.00 -1.18 0.00 0.00 179.01 177.59 2jgm h ALA 377 N 1.22 0.00 0.30 2.92 0.00 0.32 0.28 119.26 124.31 2jgm h ALA 377 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jgm h ALA 377 Cb 0.16 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2jgm h ALA 377 CO -0.22 -0.53 -0.27 0.28 0.00 0.00 0.00 179.25 178.51 2jgm h VAL 378 N -0.07 0.43 -0.43 0.00 2.07 -0.96 0.84 116.25 118.13 2jgm h VAL 378 Ca 0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.66 2jgm h VAL 378 Cb 0.14 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 2jgm h VAL 378 CO -0.12 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 177.93 2jgm h VAL 379 N -0.59 0.54 -0.22 2.57 2.07 -1.24 0.04 116.25 119.41 2jgm h VAL 379 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2jgm h VAL 379 Cb 0.53 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2jgm h VAL 379 CO -0.04 0.00 -0.13 0.25 0.02 0.00 0.00 177.57 177.68 2jgm h LEU 380 N -0.03 -0.41 -1.56 2.57 6.46 -0.37 -0.74 115.31 121.24 2jgm h LEU 380 Ca 0.21 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 58.04 2jgm h LEU 380 Cb 0.34 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2jgm h LEU 380 CO -0.45 -0.16 0.07 -0.74 -0.62 0.00 0.00 178.44 176.54 2jgm h HIS 381 N -0.11 0.35 -0.02 1.25 2.76 -0.01 -3.13 115.15 116.24 2jgm h HIS 381 Ca 0.12 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2jgm h HIS 381 Cb 0.29 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.14 2jgm h HIS 381 CO -0.29 0.31 -0.25 0.66 -1.30 0.00 0.00 177.93 177.06 2jgm n TYR 382 N -4.40 0.00 -2.82 5.26 4.02 -0.08 -4.92 117.16 114.22 2jgm n TYR 382 Ca 0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 2jgm n TYR 382 Cb 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.42 2jgm n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jgm s THR 383 N -2.13 4.40 -0.49 -0.72 2.01 -0.31 -4.87 115.64 113.52 2jgm s THR 383 Ca 0.21 1.95 -0.18 0.00 0.31 0.00 0.00 61.69 63.98 2jgm s THR 383 Cb 0.18 -4.26 0.06 0.00 0.01 0.00 0.00 72.50 68.49 2jgm s THR 383 CO 0.42 0.41 0.54 -0.62 -0.69 0.00 0.00 174.62 174.68 2jgm s ASP 384 N -0.52 6.19 0.18 3.53 2.15 -1.26 -4.95 116.67 122.00 2jgm s ASP 384 Ca 0.42 -1.07 0.23 0.00 0.43 0.00 0.00 52.55 52.56 2jgm s ASP 384 Cb -0.24 -2.25 0.90 0.00 -0.30 0.00 0.00 42.92 41.03 2jgm s ASP 384 CO 0.29 -0.80 1.69 0.79 -0.17 0.00 0.00 175.17 176.97 2jgm n TRP 385 N 5.80 0.63 -0.27 -5.34 7.02 -1.26 -1.55 117.44 122.47 2jgm n TRP 385 Ca -0.09 0.23 -0.07 0.00 -1.02 0.00 0.00 57.50 56.55 2jgm n TRP 385 Cb 0.45 -0.87 0.05 0.00 -2.42 0.00 0.00 31.31 28.52 2jgm n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2jgm h LEU 386 N 0.00 1.09 -6.15 -0.99 3.38 -2.05 -3.37 115.31 107.22 2jgm h LEU 386 Ca 0.00 -0.21 -0.57 0.00 0.09 0.00 0.00 57.88 57.18 2jgm h LEU 386 Cb 0.42 -0.29 -0.39 0.00 0.09 0.00 0.00 40.66 40.49 2jgm h LEU 386 CO 0.00 1.02 -1.00 1.41 0.09 0.00 0.00 178.44 179.96 2jgm n HIS 387 N -4.25 0.08 1.60 1.13 8.25 -0.60 -4.97 115.22 116.47 2jgm n HIS 387 Ca 0.06 -3.59 0.10 0.00 -0.26 0.00 0.00 57.72 54.03 2jgm n HIS 387 Cb 0.24 -0.23 0.60 0.00 1.12 0.00 0.00 29.99 31.71 2jgm n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jgm n PRO 388 N 1.72 0.80 0.00 -0.41 -0.04 -0.69 -2.86 135.00 133.52 2jgm n PRO 388 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2jgm n PRO 388 Cb 0.50 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2jgm n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jgm n GLU 389 N -0.89 0.09 -2.74 0.54 -0.58 -1.26 -4.86 120.64 110.93 2jgm n GLU 389 Ca 0.15 -0.74 -0.42 0.00 -0.42 0.00 0.00 57.16 55.73 2jgm n GLU 389 Cb 0.07 -0.97 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 2jgm n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jgm s ASP 390 N -0.26 7.02 0.27 1.62 2.15 -1.13 -4.80 116.67 121.54 2jgm s ASP 390 Ca 0.00 1.28 0.05 0.00 0.43 0.00 0.00 52.55 54.31 2jgm s ASP 390 Cb 0.00 -2.51 0.37 0.00 -0.30 0.00 0.00 42.92 40.48 2jgm s ASP 390 CO 0.00 -0.59 1.64 -0.65 -0.17 0.00 0.00 175.17 175.40 2jgm h PRO 391 N 7.49 0.27 -0.35 4.34 0.11 -1.93 -1.77 132.00 140.16 2jgm h PRO 391 Ca -0.22 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 2jgm h PRO 391 Cb 1.08 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2jgm h PRO 391 CO 0.93 0.69 0.09 1.15 -0.21 0.00 0.00 178.00 180.65 2jgm h THR 392 N 0.22 1.22 -0.18 -1.15 2.02 -1.92 0.72 112.91 113.85 2jgm h THR 392 Ca 0.01 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2jgm h THR 392 Cb 0.92 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2jgm h THR 392 CO 0.07 0.25 0.06 -0.74 0.37 0.00 0.00 175.52 175.53 2jgm h HIS 393 N 0.41 0.28 -0.28 3.16 -0.00 -1.88 -2.07 115.15 114.77 2jgm h HIS 393 Ca 0.11 -0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 2jgm h HIS 393 Cb 0.30 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 2jgm h HIS 393 CO 0.02 0.38 0.08 -0.07 -0.00 0.00 0.00 177.93 178.33 2jgm h LEU 394 N 0.11 0.07 -0.36 0.26 3.38 -1.25 0.59 115.31 118.12 2jgm h LEU 394 Ca 0.06 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2jgm h LEU 394 Cb 0.23 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 2jgm h LEU 394 CO -0.00 0.08 -0.27 -0.09 0.09 0.00 0.00 178.44 178.24 2jgm h ARG 395 N 0.20 -0.21 -0.17 1.13 1.12 -0.84 0.23 114.38 115.83 2jgm h ARG 395 Ca 0.13 0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.96 2jgm h ARG 395 Cb 0.11 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 2jgm h ARG 395 CO -0.14 -0.14 -0.14 -0.44 -3.11 0.00 0.00 179.97 176.00 2jgm h ASP 396 N -0.22 0.26 -0.20 -3.80 3.32 -0.50 -2.49 116.42 112.78 2jgm h ASP 396 Ca 0.17 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2jgm h ASP 396 Cb 0.50 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2jgm h ASP 396 CO -0.48 0.43 0.08 0.00 -1.72 0.00 0.00 179.24 177.54 2jgm h ALA 397 N 1.61 0.26 -0.99 3.45 0.00 0.94 -1.88 119.26 122.64 2jgm h ALA 397 Ca 0.05 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jgm h ALA 397 Cb 0.40 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2jgm h ALA 397 CO 0.02 -0.15 0.64 1.98 0.00 0.00 0.00 179.25 181.75 2jgm h MET 398 N 0.16 1.18 -0.02 0.00 1.85 -0.61 0.15 114.93 117.63 2jgm h MET 398 Ca 0.07 -0.07 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2jgm h MET 398 Cb 0.19 -0.27 -0.00 0.00 0.43 0.00 0.00 31.60 31.95 2jgm h MET 398 CO -0.00 0.78 0.01 1.03 -0.40 0.00 0.00 176.91 178.33 2jgm h SER 399 N 1.22 0.03 -0.65 1.39 0.87 -1.30 -2.64 113.55 112.46 2jgm h SER 399 Ca 0.41 -0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.86 2jgm h SER 399 Cb 0.06 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 2jgm h SER 399 CO -0.14 0.20 0.34 0.00 -0.53 0.00 0.00 176.83 176.70 2jgm h ALA 400 N 0.83 0.87 0.47 6.23 0.00 -0.39 0.19 119.26 127.46 2jgm h ALA 400 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jgm h ALA 400 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jgm h ALA 400 CO -0.00 -0.01 -0.51 0.28 0.00 0.00 0.00 179.25 179.01 2jgm h VAL 401 N 0.62 0.01 -0.79 0.00 2.07 -0.66 1.45 116.25 118.94 2jgm h VAL 401 Ca 0.30 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.83 2jgm h VAL 401 Cb 0.24 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2jgm h VAL 401 CO -0.21 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.48 2jgm h VAL 402 N -1.00 1.21 -0.22 2.57 2.07 -1.18 -0.53 116.25 119.17 2jgm h VAL 402 Ca -0.06 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2jgm h VAL 402 Cb 0.87 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2jgm h VAL 402 CO -0.08 0.20 0.06 1.23 0.02 0.00 0.00 177.57 178.99 2jgm h GLY 403 N 1.08 0.38 0.87 2.17 0.00 -0.17 -2.61 103.07 104.78 2jgm h GLY 403 Ca 0.29 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 2jgm h GLY 403 CO -0.06 0.22 -0.26 -0.55 0.00 0.00 0.00 176.54 175.89 2jgm h ASP 404 N 0.17 0.59 -0.36 0.19 3.32 0.23 -0.89 116.42 119.67 2jgm h ASP 404 Ca 0.07 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 2jgm h ASP 404 Cb 0.27 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2jgm h ASP 404 CO 0.00 0.97 0.19 -0.74 -1.72 0.00 0.00 179.24 177.94 2jgm h HIS 405 N 0.22 0.50 0.05 4.55 2.76 -1.15 -1.14 115.15 120.93 2jgm h HIS 405 Ca 0.03 -0.02 -0.31 0.00 -2.20 0.00 0.00 60.37 57.87 2jgm h HIS 405 Cb 0.82 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.59 2jgm h HIS 405 CO 0.08 0.40 -1.75 -0.91 -1.30 0.00 0.00 177.93 174.46 2jgm h ASN 406 N 0.45 0.16 0.00 3.26 2.35 -1.51 -3.40 115.58 116.88 2jgm h ASN 406 Ca 0.12 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2jgm h ASN 406 Cb 0.08 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2jgm h ASN 406 CO -0.02 1.29 -0.28 0.52 -1.65 0.00 0.00 177.43 177.29 2jgm n VAL 407 N -3.22 1.09 0.00 2.81 0.31 -0.41 -4.66 118.33 114.25 2jgm n VAL 407 Ca -0.20 0.31 -0.12 0.00 -0.01 0.00 0.00 64.34 64.32 2jgm n VAL 407 Cb 1.05 -1.65 -0.08 0.00 -0.91 0.00 0.00 33.84 32.25 2jgm n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jgm h VAL 408 N -0.11 1.17 -0.01 2.52 2.07 -1.37 -0.39 116.25 120.14 2jgm h VAL 408 Ca -0.01 -0.52 -0.23 0.00 0.82 0.00 0.00 66.70 66.75 2jgm h VAL 408 Cb 0.26 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2jgm h VAL 408 CO -0.01 0.14 -0.95 0.00 0.02 0.00 0.00 177.57 176.77 2jgm h PRO 410 N 0.28 0.84 -0.31 0.00 0.11 -1.73 0.57 132.00 131.75 2jgm h PRO 410 Ca -0.09 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 2jgm h PRO 410 Cb 1.59 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 2jgm h PRO 410 CO 0.17 0.55 -0.12 0.28 -0.21 0.00 0.00 178.00 178.67 2jgm h VAL 411 N 0.86 1.29 -0.80 3.15 2.07 -0.63 -1.09 116.25 121.10 2jgm h VAL 411 Ca 0.48 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2jgm h VAL 411 Cb 0.59 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2jgm h VAL 411 CO -0.24 0.39 0.38 0.00 0.02 0.00 0.00 177.57 178.11 2jgm h ALA 412 N 0.77 1.03 0.19 1.67 0.00 -0.73 0.16 119.26 122.36 2jgm h ALA 412 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jgm h ALA 412 Cb 0.64 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jgm h ALA 412 CO 0.04 0.60 -0.09 0.37 0.00 0.00 0.00 179.25 180.17 2jgm h GLN 413 N 1.13 -0.24 -0.32 0.00 5.75 -0.87 -1.44 115.11 119.11 2jgm h GLN 413 Ca 0.27 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.84 2jgm h GLN 413 Cb 0.13 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 2jgm h GLN 413 CO -0.03 -0.13 0.05 1.25 -2.65 0.00 0.00 178.83 177.31 2jgm h LEU 414 N -0.29 -0.02 -0.14 -2.39 5.85 -0.31 -0.32 115.31 117.69 2jgm h LEU 414 Ca -0.03 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2jgm h LEU 414 Cb 0.23 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2jgm h LEU 414 CO 0.04 0.02 0.05 0.00 -0.34 0.00 0.00 178.44 178.22 2jgm h ALA 415 N 1.25 0.16 0.28 1.25 0.00 -0.67 -1.76 119.26 119.77 2jgm h ALA 415 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jgm h ALA 415 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2jgm h ALA 415 CO -0.21 -0.39 -0.37 0.78 0.00 0.00 0.00 179.25 179.06 2jgm h GLY 416 N 0.12 -1.13 0.15 0.00 0.00 -0.54 -0.06 103.07 101.61 2jgm h GLY 416 Ca 0.06 0.54 0.03 0.00 0.00 0.00 0.00 47.33 47.96 2jgm h GLY 416 CO -0.06 -0.34 -0.40 3.21 0.00 0.00 0.00 176.54 178.95 2jgm h ARG 417 N -0.67 -0.52 -0.18 4.80 2.47 -1.08 -1.73 114.38 117.46 2jgm h ARG 417 Ca -0.03 0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 2jgm h ARG 417 Cb 0.61 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.98 2jgm h ARG 417 CO -0.09 -0.35 -0.29 -0.07 0.56 0.00 0.00 179.97 179.73 2jgm h LEU 418 N -0.54 -0.91 -0.52 3.04 3.38 -1.27 0.17 115.31 118.65 2jgm h LEU 418 Ca 0.06 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.27 2jgm h LEU 418 Cb 0.63 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 2jgm h LEU 418 CO -0.32 -0.33 -0.17 0.00 0.09 0.00 0.00 178.44 177.71 2jgm h ALA 419 N 0.57 0.28 0.20 1.53 0.00 -0.76 -1.85 119.26 119.22 2jgm h ALA 419 Ca 0.11 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2jgm h ALA 419 Cb 0.51 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2jgm h ALA 419 CO -0.37 -0.48 -0.22 0.00 0.00 0.00 0.00 179.25 178.18 2jgm h ALA 420 N 1.42 -0.44 0.00 0.00 0.00 -0.38 -2.17 119.26 117.70 2jgm h ALA 420 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jgm h ALA 420 Cb 0.42 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jgm h ALA 420 CO -0.56 -0.78 0.00 1.04 0.00 0.00 0.00 179.25 178.95 2jgm n GLN 421 N -5.35 0.45 -0.55 0.00 1.13 0.50 -4.76 117.38 108.81 2jgm n GLN 421 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2jgm n GLN 421 Cb 0.26 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.36 2jgm n GLN 421 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jgm n GLY 422 N 0.47 0.69 3.92 1.08 0.00 -0.82 -1.66 105.19 108.88 2jgm n GLY 422 Ca 0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 2jgm n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgm s ALA 423 N -2.00 3.54 -0.43 4.61 0.00 -0.88 -3.82 121.76 122.77 2jgm s ALA 423 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.06 2jgm s ALA 423 Cb 0.00 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.77 2jgm s ALA 423 CO 0.00 -0.23 0.58 0.50 0.00 0.00 0.00 175.76 176.61 2jgm s ARG 424 N -4.57 3.26 -0.10 0.00 3.52 -0.45 -4.50 118.95 116.11 2jgm s ARG 424 Ca 0.45 -0.45 -0.00 0.00 -0.13 0.00 0.00 55.73 55.59 2jgm s ARG 424 Cb -0.10 -3.94 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 2jgm s ARG 424 CO 0.41 -0.94 -0.08 0.08 -0.81 0.00 0.00 175.30 173.95 2jgm s VAL 425 N 2.62 3.53 -0.05 7.11 1.01 -1.26 -1.02 120.40 132.34 2jgm s VAL 425 Ca 0.20 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2jgm s VAL 425 Cb -0.15 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 2jgm s VAL 425 CO 0.17 0.55 -0.23 -0.31 0.00 0.00 0.00 175.10 175.28 2jgm s TYR 426 N -0.22 2.47 0.02 5.22 1.51 -0.55 0.19 117.35 125.99 2jgm s TYR 426 Ca 0.02 -0.58 0.04 0.00 -1.01 0.00 0.00 57.07 55.55 2jgm s TYR 426 Cb -0.13 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2jgm s TYR 426 CO 0.03 -0.13 -0.13 0.00 -1.11 0.00 0.00 175.55 174.21 2jgm s ALA 427 N -0.30 1.12 0.23 3.71 0.00 -1.25 -0.26 121.76 125.00 2jgm s ALA 427 Ca 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2jgm s ALA 427 Cb -0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 2jgm s ALA 427 CO 0.02 0.23 0.06 1.52 0.00 0.00 0.00 175.76 177.59 2jgm s TYR 428 N -0.67 1.43 -0.08 0.00 -0.85 -0.26 -1.40 117.35 115.52 2jgm s TYR 428 Ca 0.02 -1.11 -0.00 0.00 -0.52 0.00 0.00 57.07 55.47 2jgm s TYR 428 Cb -0.07 -0.83 0.02 0.00 0.38 0.00 0.00 41.96 41.46 2jgm s TYR 428 CO 0.01 -0.27 -0.05 -1.50 -1.52 0.00 0.00 175.55 172.21 2jgm s ILE 429 N -3.70 0.73 -0.08 -3.49 2.07 -0.38 -2.58 121.20 113.79 2jgm s ILE 429 Ca 0.33 -0.15 -0.22 0.00 -1.41 0.00 0.00 60.65 59.20 2jgm s ILE 429 Cb 0.07 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.84 2jgm s ILE 429 CO 0.10 0.30 0.63 0.12 -1.91 0.00 0.00 174.94 174.18 2jgm s PHE 430 N 1.50 3.56 0.00 3.50 2.19 0.14 -1.05 117.98 127.82 2jgm s PHE 430 Ca -0.01 1.14 0.00 0.00 0.33 0.00 0.00 56.93 58.39 2jgm s PHE 430 Cb -0.13 -2.72 0.00 0.00 -1.31 0.00 0.00 43.02 38.86 2jgm s PHE 430 CO -0.04 0.12 0.35 0.39 1.83 0.00 0.00 175.22 177.87 2jgm n GLU 431 N 3.70 -0.30 -3.15 10.12 1.02 0.19 -1.17 120.64 131.05 2jgm n GLU 431 Ca -0.03 -0.35 -0.42 0.00 -0.02 0.00 0.00 57.16 56.34 2jgm n GLU 431 Cb 0.51 -0.84 -0.07 0.00 -0.02 0.00 0.00 31.44 31.02 2jgm n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jgm s HIS 432 N -0.06 3.15 0.06 -0.32 2.46 -1.22 -4.93 115.29 114.43 2jgm s HIS 432 Ca 0.00 0.25 -0.31 0.00 0.47 0.00 0.00 55.06 55.48 2jgm s HIS 432 Cb 0.00 -3.10 -0.06 0.00 -0.13 0.00 0.00 32.58 29.29 2jgm s HIS 432 CO 0.00 -0.63 1.23 0.50 -2.47 0.00 0.00 174.74 173.37 2jgm s ARG 433 N 2.63 4.41 0.16 2.88 3.52 -1.26 -4.94 118.95 126.34 2jgm s ARG 433 Ca 0.22 1.81 -0.31 0.00 -0.13 0.00 0.00 55.73 57.32 2jgm s ARG 433 Cb -0.15 -3.36 -0.10 0.00 -1.56 0.00 0.00 34.95 29.79 2jgm s ARG 433 CO 0.15 -0.31 1.57 0.00 -0.81 0.00 0.00 175.30 175.90 2jgm s ALA 434 N 1.21 3.77 0.60 6.12 0.00 -1.26 -4.86 121.76 127.34 2jgm s ALA 434 Ca 0.59 1.35 0.31 0.00 0.00 0.00 0.00 51.96 54.21 2jgm s ALA 434 Cb -0.30 -3.63 1.78 0.00 0.00 0.00 0.00 23.12 20.97 2jgm s ALA 434 CO 0.29 -0.80 2.16 0.66 0.00 0.00 0.00 175.76 178.07 2jgm h SER 435 N 6.91 0.00 0.77 0.00 4.64 -1.96 -1.30 113.55 122.61 2jgm h SER 435 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2jgm h SER 435 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2jgm h SER 435 CO 0.91 0.00 -0.47 0.35 -0.87 0.00 0.00 176.83 176.75 2jgm n THR 436 N -3.69 0.19 -1.55 2.95 -2.24 -1.26 -4.97 114.28 103.71 2jgm n THR 436 Ca -0.00 -0.14 -0.47 0.00 -2.27 0.00 0.00 64.05 61.17 2jgm n THR 436 Cb 0.24 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 2jgm n THR 436 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jgm n LEU 437 N -1.81 1.17 -0.78 3.22 7.94 -0.49 -4.90 117.00 121.35 2jgm n LEU 437 Ca 0.05 1.16 0.08 0.00 -1.11 0.00 0.00 56.01 56.19 2jgm n LEU 437 Cb 0.39 -1.20 0.14 0.00 0.53 0.00 0.00 43.42 43.28 2jgm n LEU 437 CO 0.34 -1.64 0.59 0.35 -1.11 0.00 0.00 177.39 175.93 2jgm n THR 438 N 0.63 0.50 -2.60 1.96 -2.24 -1.26 -4.95 114.28 106.31 2jgm n THR 438 Ca 0.13 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.87 2jgm n THR 438 Cb 0.28 0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 2jgm n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jgm s TRP 439 N -1.17 3.53 0.66 4.78 0.52 -1.26 -4.85 118.94 121.15 2jgm s TRP 439 Ca 0.26 1.02 -0.16 0.00 0.02 0.00 0.00 56.10 57.24 2jgm s TRP 439 Cb 0.15 -2.45 0.00 0.00 -1.15 0.00 0.00 33.47 30.02 2jgm s TRP 439 CO 0.21 -0.27 1.18 -1.25 0.02 0.00 0.00 176.95 176.84 2jgm s PRO 440 N -4.38 2.63 0.42 4.98 0.04 -1.26 -4.88 135.00 132.55 2jgm s PRO 440 Ca 0.51 1.67 0.28 0.00 0.04 0.00 0.00 61.00 63.49 2jgm s PRO 440 Cb -0.10 -1.90 1.41 0.00 0.04 0.00 0.00 34.50 33.94 2jgm s PRO 440 CO 0.39 -1.43 1.61 -0.07 0.04 0.00 0.00 177.00 177.54 2jgm h LEU 441 N 0.22 0.27 -1.46 -3.56 3.38 -1.95 -1.57 115.31 110.64 2jgm h LEU 441 Ca -0.48 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2jgm h LEU 441 Cb 1.28 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2jgm h LEU 441 CO 0.53 -0.25 0.00 4.11 0.09 0.00 0.00 178.44 182.92 2jgm h TRP 442 N 0.07 0.00 -0.00 1.13 5.08 -1.94 -1.99 115.95 118.29 2jgm h TRP 442 Ca 0.84 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.81 2jgm h TRP 442 Cb 2.52 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.68 2jgm h TRP 442 CO -0.01 0.00 -0.10 -1.33 -1.28 0.00 0.00 178.44 175.72 2jgm n MET 443 N -2.82 0.48 0.00 0.12 2.81 -0.59 -4.99 117.12 112.14 2jgm n MET 443 Ca 0.00 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2jgm n MET 443 Cb 0.24 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2jgm n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jgm n GLY 444 N 1.32 3.38 3.29 3.03 0.00 -0.75 -3.73 105.19 111.74 2jgm n GLY 444 Ca 0.13 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2jgm n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgm s VAL 445 N 0.00 5.21 0.49 1.61 1.01 -1.26 -4.83 120.40 122.63 2jgm s VAL 445 Ca 0.00 -2.21 -0.18 0.00 0.00 0.00 0.00 61.98 59.58 2jgm s VAL 445 Cb 0.00 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 2jgm s VAL 445 CO 0.00 -0.95 0.99 -2.84 0.00 0.00 0.00 175.10 172.29 2jgm s PRO 446 N 0.61 3.97 -0.14 2.72 0.02 -1.24 -1.97 135.00 138.96 2jgm s PRO 446 Ca 0.13 1.08 -0.25 0.00 0.02 0.00 0.00 61.00 61.98 2jgm s PRO 446 Cb -0.18 -2.14 -0.12 0.00 0.02 0.00 0.00 34.50 32.09 2jgm s PRO 446 CO -0.05 -0.25 0.78 1.58 -0.33 0.00 0.00 177.00 178.73 2jgm n HIS 447 N -1.23 0.69 -0.24 6.54 -0.00 -1.17 -1.43 115.22 118.39 2jgm n HIS 447 Ca 0.07 0.64 0.00 0.00 -0.00 0.00 0.00 57.72 58.44 2jgm n HIS 447 Cb 0.54 -1.26 0.00 0.00 -0.00 0.00 0.00 29.99 29.27 2jgm n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jgm n GLY 448 N 1.59 1.12 1.84 1.57 0.00 -1.26 -4.94 105.19 105.10 2jgm n GLY 448 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 2jgm n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jgm n TYR 449 N -2.00 2.12 -0.01 1.61 4.02 -0.51 -3.29 117.16 119.10 2jgm n TYR 449 Ca 0.00 -1.04 0.08 0.00 -0.01 0.00 0.00 57.90 56.93 2jgm n TYR 449 Cb 0.00 -0.62 -0.14 0.00 -0.02 0.00 0.00 39.34 38.57 2jgm n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jgm n GLU 450 N -0.06 0.58 -0.10 -0.72 0.00 -1.26 -4.67 120.64 114.41 2jgm n GLU 450 Ca 0.35 -0.15 -0.06 0.00 0.00 0.00 0.00 57.16 57.30 2jgm n GLU 450 Cb 1.24 -1.42 0.02 0.00 0.00 0.00 0.00 31.44 31.28 2jgm n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jgm h ILE 451 N 0.00 0.84 0.00 3.84 2.04 -1.93 -1.50 117.51 120.80 2jgm h ILE 451 Ca -0.03 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jgm h ILE 451 Cb 0.89 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2jgm h ILE 451 CO 0.00 0.04 -0.00 1.05 0.00 0.00 0.00 178.15 179.24 2jgm h GLU 452 N 0.21 0.00 0.01 2.37 4.11 -1.81 -1.05 114.58 118.42 2jgm h GLU 452 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.58 2jgm h GLU 452 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2jgm h GLU 452 CO -0.21 0.00 -0.08 0.74 0.07 0.00 0.00 179.01 179.53 2jgm h PHE 453 N 0.00 0.07 -0.86 2.06 0.04 -1.59 -0.85 116.94 115.80 2jgm h PHE 453 Ca -0.00 -0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.84 2jgm h PHE 453 Cb 0.00 -0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.07 2jgm h PHE 453 CO 0.00 0.94 0.49 0.82 -0.60 0.00 0.00 178.31 179.97 2jgm h ILE 454 N -0.83 0.88 0.00 -0.55 1.08 -0.99 -2.02 117.51 115.07 2jgm h ILE 454 Ca -0.01 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2jgm h ILE 454 Cb 0.97 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 2jgm h ILE 454 CO 0.02 0.15 0.00 0.49 -0.69 0.00 0.00 178.15 178.11 2jgm n PHE 455 N -4.74 0.34 -0.49 1.37 3.01 -0.44 -4.49 117.46 112.01 2jgm n PHE 455 Ca 0.15 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.72 2jgm n PHE 455 Cb 0.32 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 2jgm n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgm n GLY 456 N 1.09 0.75 0.33 1.37 0.00 -0.76 -4.04 105.19 103.93 2jgm n GLY 456 Ca 0.06 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.35 2jgm n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jgm h LEU 457 N 0.00 0.19 0.00 0.99 -0.00 -1.40 0.77 115.31 115.85 2jgm h LEU 457 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 2jgm h LEU 457 Cb 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 2jgm h LEU 457 CO 0.00 -0.37 0.00 -2.65 -0.00 0.00 0.00 178.44 175.42 2jgm n PRO 458 N -5.27 0.04 0.03 1.13 -0.02 -1.26 -1.53 135.00 128.11 2jgm n PRO 458 Ca 0.34 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 2jgm n PRO 458 Cb 1.13 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 33.66 2jgm n PRO 458 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jgm n LEU 459 N -1.31 0.20 -4.57 2.45 4.77 0.26 -4.57 117.00 114.23 2jgm n LEU 459 Ca 0.01 0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 56.09 2jgm n LEU 459 Cb 0.03 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 2jgm n LEU 459 CO 0.02 -0.07 0.96 -0.62 -1.33 0.00 0.00 177.39 176.35 2jgm s ASP 460 N -3.38 6.47 0.37 -1.43 -1.08 -0.58 -4.82 116.67 112.22 2jgm s ASP 460 Ca 0.13 0.08 0.18 0.00 -0.52 0.00 0.00 52.55 52.42 2jgm s ASP 460 Cb 0.17 -2.51 1.11 0.00 -1.46 0.00 0.00 42.92 40.22 2jgm s ASP 460 CO 0.53 -1.33 1.71 -0.65 0.52 0.00 0.00 175.17 175.95 2jgm h PRO 461 N 9.37 0.35 0.00 4.34 0.11 -1.89 0.14 132.00 144.43 2jgm h PRO 461 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2jgm h PRO 461 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2jgm h PRO 461 CO 1.13 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 178.03 2jgm n SER 462 N -4.80 0.22 -0.11 -2.05 3.41 -1.26 -3.00 113.62 106.03 2jgm n SER 462 Ca 0.29 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.60 2jgm n SER 462 Cb 0.97 -0.61 0.50 0.00 -0.26 0.00 0.00 64.21 64.81 2jgm n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgm n LEU 463 N -1.75 0.53 -0.53 1.04 4.77 0.50 -4.97 117.00 116.59 2jgm n LEU 463 Ca 0.02 0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 2jgm n LEU 463 Cb 0.16 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2jgm n LEU 463 CO 0.14 0.11 -0.06 0.59 -1.33 0.00 0.00 177.39 176.83 2jgm n ASN 464 N -1.06 -3.34 -4.83 -1.43 3.02 -1.16 -5.00 115.26 101.46 2jgm n ASN 464 Ca 0.11 0.10 -0.32 0.00 -0.03 0.00 0.00 54.58 54.44 2jgm n ASN 464 Cb 0.31 -1.78 -0.02 0.00 -0.61 0.00 0.00 39.78 37.69 2jgm n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jgm s TYR 465 N -2.25 3.26 0.87 3.10 2.02 -1.26 -4.84 117.35 118.25 2jgm s TYR 465 Ca 0.00 1.49 -0.11 0.00 -0.37 0.00 0.00 57.07 58.08 2jgm s TYR 465 Cb 0.00 -2.89 0.12 0.00 -0.40 0.00 0.00 41.96 38.79 2jgm s TYR 465 CO 0.00 -0.66 1.10 0.95 -1.57 0.00 0.00 175.55 175.37 2jgm s THR 466 N -2.52 2.77 0.35 -0.71 -4.23 -1.26 -4.89 115.64 105.15 2jgm s THR 466 Ca 0.61 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.40 2jgm s THR 466 Cb -0.12 -2.65 0.27 0.00 1.34 0.00 0.00 72.50 71.34 2jgm s THR 466 CO 0.32 -0.33 1.99 0.74 -0.54 0.00 0.00 174.62 176.81 2jgm h THR 467 N -1.51 1.12 -0.01 3.99 2.02 -1.96 -2.45 112.91 114.10 2jgm h THR 467 Ca -0.47 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 66.25 2jgm h THR 467 Cb 1.27 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2jgm h THR 467 CO 0.51 0.15 -0.76 -0.33 0.37 0.00 0.00 175.52 175.46 2jgm h GLU 468 N 0.84 0.08 -0.38 6.66 3.07 -2.00 -2.18 114.58 120.68 2jgm h GLU 468 Ca 0.27 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 2jgm h GLU 468 Cb 0.03 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2jgm h GLU 468 CO -0.07 0.80 -0.08 0.93 -1.40 0.00 0.00 179.01 179.19 2jgm h GLU 469 N 0.05 0.64 -0.10 2.33 5.08 -1.88 -0.68 114.58 120.03 2jgm h GLU 469 Ca -0.02 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 2jgm h GLU 469 Cb 1.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2jgm h GLU 469 CO 0.11 0.72 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.54 2jgm h ARG 470 N 0.60 0.16 0.12 2.33 1.12 -0.94 0.16 114.38 117.92 2jgm h ARG 470 Ca 0.11 -0.04 -0.27 0.00 -1.11 0.00 0.00 59.98 58.67 2jgm h ARG 470 Cb 0.49 -0.02 0.01 0.00 -0.01 0.00 0.00 29.97 30.44 2jgm h ARG 470 CO 0.03 0.37 -1.20 0.82 -3.11 0.00 0.00 179.97 176.87 2jgm h ILE 471 N 0.15 1.44 -0.12 1.20 2.04 -0.87 -3.05 117.51 118.29 2jgm h ILE 471 Ca 0.03 -2.85 -0.02 0.00 1.00 0.00 0.00 64.86 63.02 2jgm h ILE 471 Cb 0.45 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 2jgm h ILE 471 CO 0.03 0.84 -0.00 0.15 0.00 0.00 0.00 178.15 179.17 2jgm h PHE 472 N 0.13 0.24 -0.53 1.37 3.57 -0.98 -1.28 116.94 119.46 2jgm h PHE 472 Ca -0.14 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.42 2jgm h PHE 472 Cb 1.90 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 40.49 2jgm h PHE 472 CO 0.07 0.46 -0.01 0.00 -2.23 0.00 0.00 178.31 176.61 2jgm h ALA 473 N 0.75 0.49 -0.40 2.41 0.00 -1.04 0.14 119.26 121.61 2jgm h ALA 473 Ca 0.03 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2jgm h ALA 473 Cb 0.37 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2jgm h ALA 473 CO 0.01 -0.39 0.05 1.96 0.00 0.00 0.00 179.25 180.87 2jgm h GLN 474 N 0.11 0.61 -0.14 0.00 4.20 -1.40 0.30 115.11 118.79 2jgm h GLN 474 Ca 0.27 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 2jgm h GLN 474 Cb 0.41 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2jgm h GLN 474 CO -0.45 0.60 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.18 2jgm h ARG 475 N 0.59 0.27 -0.42 1.46 2.43 0.16 -1.78 114.38 117.09 2jgm h ARG 475 Ca 0.13 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2jgm h ARG 475 Cb 0.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2jgm h ARG 475 CO 0.01 0.57 0.22 -0.07 -1.51 0.00 0.00 179.97 179.19 2jgm h LEU 476 N -0.04 0.54 -1.03 3.80 3.38 -0.44 -1.72 115.31 119.79 2jgm h LEU 476 Ca 0.03 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2jgm h LEU 476 Cb 0.48 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2jgm h LEU 476 CO 0.02 0.49 0.65 0.24 0.09 0.00 0.00 178.44 179.93 2jgm h MET 477 N 0.55 1.27 -0.40 1.13 2.86 -0.90 -0.96 114.93 118.48 2jgm h MET 477 Ca 0.15 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2jgm h MET 477 Cb 0.08 -0.29 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 2jgm h MET 477 CO -0.02 0.84 0.24 0.87 1.06 0.00 0.00 176.91 179.90 2jgm h LYS 478 N 1.31 0.47 -0.15 1.72 1.79 -0.91 -1.75 116.57 119.06 2jgm h LYS 478 Ca 0.37 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.85 2jgm h LYS 478 Cb -0.10 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.41 2jgm h LYS 478 CO -0.09 0.31 -0.08 1.88 -1.08 0.00 0.00 179.45 180.38 2jgm h TYR 479 N 0.48 -0.20 -0.18 -1.35 0.05 -0.32 0.53 116.97 115.99 2jgm h TYR 479 Ca 0.16 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 2jgm h TYR 479 Cb -0.00 0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2jgm h TYR 479 CO -0.07 -0.13 0.02 -1.49 -1.05 0.00 0.00 178.16 175.44 2jgm h TRP 480 N -0.08 0.32 -0.37 4.88 6.55 -1.11 -1.24 115.95 124.91 2jgm h TRP 480 Ca 0.09 -0.05 -0.15 0.00 0.95 0.00 0.00 58.89 59.73 2jgm h TRP 480 Cb 0.20 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.41 2jgm h TRP 480 CO -0.22 0.47 -0.34 1.79 -1.05 0.00 0.00 178.44 179.09 2jgm h THR 481 N 0.08 1.28 -0.60 1.49 1.35 -1.31 -0.48 112.91 114.72 2jgm h THR 481 Ca 0.05 -1.51 0.08 0.00 -0.55 0.00 0.00 66.41 64.49 2jgm h THR 481 Cb 0.32 1.41 -0.07 0.00 -1.73 0.00 0.00 68.15 68.09 2jgm h THR 481 CO 0.00 0.50 0.25 0.78 -0.25 0.00 0.00 175.52 176.81 2jgm h ASN 482 N 0.68 0.29 -0.84 5.36 2.35 -0.84 0.15 115.58 122.72 2jgm h ASN 482 Ca 0.06 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2jgm h ASN 482 Cb 0.93 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.27 2jgm h ASN 482 CO 0.09 0.18 0.54 0.15 -1.65 0.00 0.00 177.43 176.73 2jgm h PHE 483 N 0.45 1.01 -0.43 1.19 3.57 -0.95 0.41 116.94 122.20 2jgm h PHE 483 Ca 0.29 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.84 2jgm h PHE 483 Cb 0.32 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2jgm h PHE 483 CO -0.15 0.58 0.26 0.00 -2.23 0.00 0.00 178.31 176.77 2jgm h ALA 484 N 1.36 0.54 -0.41 2.41 0.00 0.21 -1.00 119.26 122.38 2jgm h ALA 484 Ca 0.34 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2jgm h ALA 484 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jgm h ALA 484 CO -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.07 2jgm h ARG 485 N 0.53 0.73 0.00 0.00 3.08 0.24 -3.39 114.38 115.57 2jgm h ARG 485 Ca 0.17 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2jgm h ARG 485 Cb -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2jgm h ARG 485 CO -0.07 0.82 -0.31 0.25 -1.07 0.00 0.00 179.97 179.58 2jgm n THR 486 N -4.42 0.00 -1.05 2.04 -2.24 0.04 -4.99 114.28 103.66 2jgm n THR 486 Ca -0.01 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.51 2jgm n THR 486 Cb 0.30 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.29 2jgm n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jgm n GLY 487 N 1.28 0.53 3.00 3.38 0.00 -0.38 -5.03 105.19 107.96 2jgm n GLY 487 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 2jgm n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jgm s ASP 488 N -2.41 0.37 0.56 1.61 2.15 -1.26 -4.95 116.67 112.73 2jgm s ASP 488 Ca 0.00 0.58 0.34 0.00 0.43 0.00 0.00 52.55 53.90 2jgm s ASP 488 Cb 0.00 0.68 1.46 0.00 -0.30 0.00 0.00 42.92 44.76 2jgm s ASP 488 CO 0.00 -0.24 2.02 1.55 -0.17 0.00 0.00 175.17 178.33 2jgm h PRO 489 N 8.29 0.00 -7.25 4.34 0.13 -1.82 -3.24 132.00 132.44 2jgm h PRO 489 Ca -0.14 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.48 2jgm h PRO 489 Cb 1.11 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.34 2jgm h PRO 489 CO 0.14 0.02 0.36 -0.80 -0.23 0.00 0.00 178.00 177.48 2jgm s ASN 490 N -5.67 5.23 -0.08 1.44 0.01 -1.26 -4.40 114.94 110.20 2jgm s ASN 490 Ca 0.00 1.84 -0.25 0.00 -0.71 0.00 0.00 52.86 53.74 2jgm s ASN 490 Cb 0.10 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 2jgm s ASN 490 CO 0.54 -1.55 0.77 -0.62 -1.51 0.00 0.00 177.10 174.72 2jgm s ASP 491 N -3.04 7.03 0.31 -1.22 2.15 -1.26 -4.92 116.67 115.72 2jgm s ASP 491 Ca 0.63 1.24 0.04 0.00 0.43 0.00 0.00 52.55 54.89 2jgm s ASP 491 Cb -0.17 -2.44 0.52 0.00 -0.30 0.00 0.00 42.92 40.52 2jgm s ASP 491 CO 0.46 -0.20 1.80 -0.65 -0.17 0.00 0.00 175.17 176.40 2jgm h PRO 492 N 6.91 0.46 0.00 4.34 0.11 -1.95 -3.37 132.00 138.51 2jgm h PRO 492 Ca -0.38 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jgm h PRO 492 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jgm h PRO 492 CO 0.77 0.61 0.00 0.54 -0.21 0.00 0.00 178.00 179.71 2jgm n ARG 493 N -4.19 0.00 -1.46 1.05 1.74 -1.26 -4.87 116.66 107.67 2jgm n ARG 493 Ca 0.00 0.00 -0.54 0.00 -0.77 0.00 0.00 57.85 56.54 2jgm n ARG 493 Cb 0.33 -0.27 -0.08 0.00 -1.02 0.00 0.00 32.46 31.42 2jgm n ARG 493 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jgm n ASP 494 N -0.27 1.88 -0.28 0.55 2.03 -1.26 -4.86 116.55 114.33 2jgm n ASP 494 Ca 0.00 0.62 0.07 0.00 0.52 0.00 0.00 54.79 56.00 2jgm n ASP 494 Cb 0.00 -1.15 0.11 0.00 -0.72 0.00 0.00 41.12 39.36 2jgm n ASP 494 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jgm n SER 495 N 8.36 1.72 0.06 1.67 2.88 -1.26 -4.54 113.62 122.50 2jgm n SER 495 Ca 0.41 -2.91 -0.21 0.00 -1.33 0.00 0.00 58.87 54.84 2jgm n SER 495 Cb 0.15 -0.39 -0.15 0.00 -0.75 0.00 0.00 64.21 63.07 2jgm n SER 495 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jgm h LYS 496 N 0.16 0.33 -6.92 -1.46 6.56 -1.99 -3.47 116.57 109.78 2jgm h LYS 496 Ca -0.01 -0.56 -0.54 0.00 -1.06 0.00 0.00 60.65 58.48 2jgm h LYS 496 Cb 1.12 0.21 0.11 0.00 -0.57 0.00 0.00 32.23 33.10 2jgm h LYS 496 CO 0.00 1.27 0.75 0.43 -2.06 0.00 0.00 179.45 179.84 2jgm n SER 497 N -4.07 3.69 -4.76 0.86 7.64 -1.26 -4.92 113.62 110.79 2jgm n SER 497 Ca -0.15 1.23 -0.41 0.00 1.01 0.00 0.00 58.87 60.55 2jgm n SER 497 Cb 0.86 -1.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 2jgm n SER 497 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2jgm s PRO 498 N -2.08 4.27 0.55 1.43 0.02 -1.26 -4.96 135.00 132.97 2jgm s PRO 498 Ca 0.53 2.32 -0.21 0.00 0.02 0.00 0.00 61.00 63.66 2jgm s PRO 498 Cb -0.49 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 30.92 2jgm s PRO 498 CO 0.64 -0.35 1.31 -0.65 -0.33 0.00 0.00 177.00 177.61 2jgm s GLN 499 N -1.23 3.14 -0.46 5.54 -1.52 -1.26 -4.84 119.66 119.02 2jgm s GLN 499 Ca 0.54 2.11 -0.15 0.00 -1.95 0.00 0.00 55.36 55.91 2jgm s GLN 499 Cb -0.42 -2.19 0.07 0.00 -0.22 0.00 0.00 33.01 30.25 2jgm s GLN 499 CO 0.51 -1.15 0.38 -0.46 -0.25 0.00 0.00 175.29 174.31 2jgm s TRP 500 N -1.38 3.26 0.39 0.91 -0.11 -1.26 -4.94 118.94 115.82 2jgm s TRP 500 Ca 0.72 -1.02 -0.24 0.00 1.22 0.00 0.00 56.10 56.78 2jgm s TRP 500 Cb -0.37 -3.14 -0.09 0.00 -1.50 0.00 0.00 33.47 28.37 2jgm s TRP 500 CO 0.43 -0.80 1.04 -1.25 -4.62 0.00 0.00 176.95 171.74 2jgm s PRO 501 N 1.61 4.22 0.51 5.86 0.04 -1.26 -4.89 135.00 141.09 2jgm s PRO 501 Ca 0.04 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.35 2jgm s PRO 501 Cb -0.24 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.66 2jgm s PRO 501 CO 0.06 -0.09 0.96 -2.30 0.04 0.00 0.00 177.00 175.67 2jgm n PRO 502 N -0.01 1.12 -2.53 0.56 -0.02 -1.26 -4.71 135.00 128.14 2jgm n PRO 502 Ca 0.05 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2jgm n PRO 502 Cb 0.50 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2jgm n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgm s TYR 503 N -1.41 3.37 0.25 6.00 6.14 0.13 -4.49 117.35 127.34 2jgm s TYR 503 Ca 0.69 1.38 0.11 0.00 0.64 0.00 0.00 57.07 59.88 2jgm s TYR 503 Cb -0.48 -3.33 -0.05 0.00 0.42 0.00 0.00 41.96 38.51 2jgm s TYR 503 CO 0.53 -0.91 -0.19 0.95 0.64 0.00 0.00 175.55 176.57 2jgm s THR 504 N 1.76 2.24 0.20 4.34 -4.23 -1.26 -4.39 115.64 114.29 2jgm s THR 504 Ca 0.54 -2.31 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 2jgm s THR 504 Cb -0.24 -2.20 0.12 0.00 1.34 0.00 0.00 72.50 71.52 2jgm s THR 504 CO 0.24 -0.43 1.84 0.74 -0.54 0.00 0.00 174.62 176.46 2jgm h THR 505 N 2.45 1.08 0.01 3.99 2.02 -1.91 0.40 112.91 120.96 2jgm h THR 505 Ca -0.40 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 2jgm h THR 505 Cb 1.24 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2jgm h THR 505 CO 0.59 0.14 -0.01 0.00 0.37 0.00 0.00 175.52 176.62 2jgm h ALA 506 N 1.28 -0.02 0.00 6.16 0.00 -2.01 -3.36 119.26 121.31 2jgm h ALA 506 Ca 0.26 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2jgm h ALA 506 Cb 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jgm h ALA 506 CO -0.10 -0.32 -2.19 0.00 0.00 0.00 0.00 179.25 176.64 2jgm n ALA 507 N -2.30 2.02 -3.71 0.00 0.00 -1.22 -5.02 120.51 110.29 2jgm n ALA 507 Ca -0.08 -0.98 -0.23 0.00 0.00 0.00 0.00 53.44 52.14 2jgm n ALA 507 Cb 0.20 -0.44 0.03 0.00 0.00 0.00 0.00 19.45 19.24 2jgm n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jgm n GLN 508 N -2.57 -3.85 -3.91 0.00 6.02 0.14 -4.33 117.38 108.88 2jgm n GLN 508 Ca -0.21 0.57 -0.36 0.00 -0.01 0.00 0.00 57.00 56.99 2jgm n GLN 508 Cb 0.92 -4.94 -0.07 0.00 1.02 0.00 0.00 30.24 27.17 2jgm n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jgm s GLN 509 N -5.96 3.56 0.20 -1.09 -0.21 -1.26 -0.15 119.66 114.75 2jgm s GLN 509 Ca 0.11 -0.19 -0.05 0.00 0.02 0.00 0.00 55.36 55.25 2jgm s GLN 509 Cb -0.03 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 2jgm s GLN 509 CO 0.83 0.65 0.24 1.52 -2.12 0.00 0.00 175.29 176.41 2jgm s TYR 510 N -0.67 0.84 0.28 0.91 1.13 -0.75 -3.54 117.35 115.56 2jgm s TYR 510 Ca 0.13 -1.13 0.12 0.00 -1.41 0.00 0.00 57.07 54.78 2jgm s TYR 510 Cb -0.12 -0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.40 2jgm s TYR 510 CO 0.02 -0.74 -0.20 0.14 -2.51 0.00 0.00 175.55 172.27 2jgm s VAL 511 N -4.09 2.48 -0.12 -3.49 -7.23 -0.49 -1.07 120.40 106.38 2jgm s VAL 511 Ca 0.31 -2.40 -0.12 0.00 -1.81 0.00 0.00 61.98 57.96 2jgm s VAL 511 Cb 0.05 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2jgm s VAL 511 CO 0.09 -0.39 0.27 -0.94 -0.31 0.00 0.00 175.10 173.82 2jgm s SER 512 N -3.51 6.49 -0.37 4.85 1.04 -0.79 -1.24 113.70 120.16 2jgm s SER 512 Ca 0.30 0.58 -0.11 0.00 0.48 0.00 0.00 55.95 57.20 2jgm s SER 512 Cb -0.05 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.94 2jgm s SER 512 CO 0.15 0.23 0.20 -0.76 0.98 0.00 0.00 173.24 174.04 2jgm s LEU 513 N -0.26 4.65 0.00 2.42 1.43 -0.22 -4.25 118.68 122.46 2jgm s LEU 513 Ca 0.17 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 2jgm s LEU 513 Cb -0.13 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.09 2jgm s LEU 513 CO 0.06 -0.37 0.37 -0.46 0.23 0.00 0.00 176.35 176.18 2jgm n ASN 514 N 4.99 -1.07 0.24 2.29 0.23 -1.26 0.53 115.26 121.20 2jgm n ASN 514 Ca -0.12 -1.80 0.16 0.00 -0.53 0.00 0.00 54.58 52.29 2jgm n ASN 514 Cb 0.46 1.81 0.80 0.00 -2.08 0.00 0.00 39.78 40.77 2jgm n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jgm h LEU 515 N 0.00 0.00-10.38 -4.53 3.38 -1.96 -3.42 115.31 98.40 2jgm h LEU 515 Ca -0.16 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.33 2jgm h LEU 515 Cb 0.60 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.40 2jgm h LEU 515 CO 0.21 0.00 0.16 -0.54 0.09 0.00 0.00 178.44 178.35 2jgm s LYS 516 N -3.73 3.15 0.91 1.13 1.02 -1.26 -5.02 119.74 115.93 2jgm s LYS 516 Ca -0.01 0.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.95 2jgm s LYS 516 Cb 0.09 -2.30 0.14 0.00 -0.52 0.00 0.00 37.83 35.24 2jgm s LYS 516 CO 0.36 -0.53 1.14 -2.14 -0.92 0.00 0.00 175.35 173.27 2jgm s PRO 517 N -4.91 1.07 0.13 -1.68 0.02 -1.26 -4.89 135.00 123.48 2jgm s PRO 517 Ca 0.52 1.53 -0.35 0.00 0.02 0.00 0.00 61.00 62.72 2jgm s PRO 517 Cb -0.10 -1.74 -0.15 0.00 0.02 0.00 0.00 34.50 32.53 2jgm s PRO 517 CO 0.45 -2.59 1.42 1.28 -0.33 0.00 0.00 177.00 177.23 2jgm n LEU 518 N -4.21 2.28 -4.20 -5.54 4.77 -1.26 -4.95 117.00 103.89 2jgm n LEU 518 Ca 0.12 1.11 -0.30 0.00 -0.03 0.00 0.00 56.01 56.90 2jgm n LEU 518 Cb 0.52 -1.30 -0.17 0.00 -2.33 0.00 0.00 43.42 40.15 2jgm n LEU 518 CO 0.49 -0.75 -0.54 -0.70 -1.33 0.00 0.00 177.39 174.56 2jgm s GLU 519 N 0.49 2.65 0.19 3.23 2.12 -1.26 -4.80 118.70 121.33 2jgm s GLU 519 Ca 0.80 -0.80 -0.22 0.00 0.36 0.00 0.00 54.97 55.11 2jgm s GLU 519 Cb -0.82 -2.09 -0.08 0.00 0.26 0.00 0.00 34.13 31.40 2jgm s GLU 519 CO 0.44 0.21 0.74 0.08 -0.54 0.00 0.00 175.26 176.20 2jgm s VAL 520 N 0.23 4.49 0.18 3.70 1.01 -1.26 -1.89 120.40 126.87 2jgm s VAL 520 Ca -0.13 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.34 2jgm s VAL 520 Cb -0.16 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2jgm s VAL 520 CO 0.06 0.35 -0.06 -0.13 0.00 0.00 0.00 175.10 175.33 2jgm s ARG 521 N -1.60 1.18 -0.04 2.72 0.52 -0.23 -4.97 118.95 116.53 2jgm s ARG 521 Ca 0.39 -1.55 0.05 0.00 -0.52 0.00 0.00 55.73 54.10 2jgm s ARG 521 Cb -0.19 -0.60 -0.01 0.00 0.52 0.00 0.00 34.95 34.66 2jgm s ARG 521 CO 0.23 -0.01 -0.19 1.03 0.02 0.00 0.00 175.30 176.38 2jgm s ARG 522 N -3.80 1.82 0.01 3.54 0.52 -1.26 -1.80 118.95 117.97 2jgm s ARG 522 Ca 0.22 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2jgm s ARG 522 Cb 0.04 -1.63 0.00 0.00 0.52 0.00 0.00 34.95 33.88 2jgm s ARG 522 CO 0.04 0.32 0.00 0.41 0.02 0.00 0.00 175.30 176.09 2jgm n GLY 523 N 2.94 -3.42 3.47 -3.53 0.00 0.78 -4.95 105.19 100.48 2jgm n GLY 523 Ca -0.17 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2jgm n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jgm s LEU 524 N -0.04 4.60 -0.69 0.99 2.96 -1.26 -4.21 118.68 121.04 2jgm s LEU 524 Ca 0.00 -0.79 -0.15 0.00 -0.22 0.00 0.00 54.13 52.97 2jgm s LEU 524 Cb 0.00 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.16 2jgm s LEU 524 CO 0.00 -1.14 0.29 0.54 -1.32 0.00 0.00 176.35 174.72 2jgm n ARG 525 N 6.93 -0.67 0.07 1.98 5.12 -1.26 -4.69 116.66 124.14 2jgm n ARG 525 Ca -0.04 -0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 55.60 2jgm n ARG 525 Cb 0.46 -1.07 -0.05 0.00 -1.16 0.00 0.00 32.46 30.63 2jgm n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jgm h ALA 526 N 2.16 -0.39 0.04 7.54 0.00 -1.93 0.92 119.26 127.59 2jgm h ALA 526 Ca -0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jgm h ALA 526 Cb 0.75 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jgm h ALA 526 CO 0.30 -0.78 -0.02 1.96 0.00 0.00 0.00 179.25 180.71 2jgm h GLN 527 N -0.43 -0.05 -0.84 0.00 1.08 -1.96 -2.22 115.11 110.69 2jgm h GLN 527 Ca 0.05 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2jgm h GLN 527 Cb 0.50 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 2jgm h GLN 527 CO -0.22 0.16 0.46 1.15 -0.95 0.00 0.00 178.83 179.44 2jgm h THR 528 N -0.25 1.25 0.00 -0.54 2.02 -1.89 -2.10 112.91 111.39 2jgm h THR 528 Ca -0.00 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 2jgm h THR 528 Cb 0.23 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2jgm h THR 528 CO 0.01 0.28 -0.34 0.00 0.37 0.00 0.00 175.52 175.83 2jgm h ALA 530 N 1.66 1.40 0.54 0.00 0.00 -0.75 0.13 119.26 122.24 2jgm h ALA 530 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jgm h ALA 530 Cb 0.84 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jgm h ALA 530 CO 0.04 0.46 -0.26 0.35 0.00 0.00 0.00 179.25 179.85 2jgm h PHE 531 N 0.77 -0.67 -0.10 0.00 3.57 -0.66 -1.15 116.94 118.68 2jgm h PHE 531 Ca 0.19 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2jgm h PHE 531 Cb 0.12 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2jgm h PHE 531 CO 0.01 -0.38 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.17 2jgm h TRP 532 N -0.82 0.25 0.01 0.41 4.06 -1.26 0.17 115.95 118.77 2jgm h TRP 532 Ca -0.07 -0.06 -0.20 0.00 2.06 0.00 0.00 58.89 60.62 2jgm h TRP 532 Cb 0.60 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 2jgm h TRP 532 CO -0.02 0.56 -0.90 -0.91 -3.56 0.00 0.00 178.44 173.61 2jgm h ASN 533 N -0.14 0.20 0.00 -3.49 2.35 -0.85 -3.37 115.58 110.28 2jgm h ASN 533 Ca 0.02 -0.17 -0.24 0.00 -0.55 0.00 0.00 56.30 55.36 2jgm h ASN 533 Cb 0.49 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 2jgm h ASN 533 CO 0.01 1.00 -1.81 0.54 -1.65 0.00 0.00 177.43 175.52 2jgm n ARG 534 N -3.61 0.31 -0.07 0.81 1.74 -0.47 -4.77 116.66 110.60 2jgm n ARG 534 Ca -0.03 0.13 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 2jgm n ARG 534 Cb 0.83 -1.03 -0.10 0.00 -1.02 0.00 0.00 32.46 31.13 2jgm n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jgm h PHE 535 N -0.48 0.00 -0.84 -1.55 3.57 -1.08 -3.39 116.94 113.17 2jgm h PHE 535 Ca -0.36 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.25 2jgm h PHE 535 Cb 1.33 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.99 2jgm h PHE 535 CO -0.04 0.90 0.47 1.25 -2.23 0.00 0.00 178.31 178.65 2jgm h LEU 536 N -1.00 0.64 -0.48 0.59 5.85 -0.83 -1.93 115.31 118.16 2jgm h LEU 536 Ca -0.06 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2jgm h LEU 536 Cb 0.88 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.78 2jgm h LEU 536 CO -0.04 0.33 -0.05 -0.65 -0.34 0.00 0.00 178.44 177.70 2jgm h PRO 537 N 0.74 0.06 -0.08 5.25 0.11 -1.74 -0.92 132.00 135.42 2jgm h PRO 537 Ca 0.43 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.52 2jgm h PRO 537 Cb 0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2jgm h PRO 537 CO -0.29 0.04 0.01 0.87 -0.21 0.00 0.00 178.00 178.43 2jgm h LYS 538 N 0.07 0.11 0.00 1.05 1.57 -1.54 0.33 116.57 118.16 2jgm h LYS 538 Ca 0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2jgm h LYS 538 Cb 0.36 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2jgm h LYS 538 CO -0.44 0.11 0.00 -0.11 -0.57 0.00 0.00 179.45 178.45 2jgm n LEU 539 N -4.48 0.32 -2.19 2.94 7.94 -0.38 -2.06 117.00 119.09 2jgm n LEU 539 Ca -0.02 0.58 -0.27 0.00 -1.11 0.00 0.00 56.01 55.19 2jgm n LEU 539 Cb 0.12 -0.55 0.14 0.00 0.53 0.00 0.00 43.42 43.66 2jgm n LEU 539 CO 0.35 -0.42 1.28 0.18 -1.11 0.00 0.00 177.39 177.67 2jgm n LEU 540 N -1.86 6.90 -4.34 -1.96 4.77 0.12 -4.59 117.00 116.04 2jgm n LEU 540 Ca 0.03 -3.93 -0.46 0.00 -0.03 0.00 0.00 56.01 51.62 2jgm n LEU 540 Cb 0.19 -0.87 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 2jgm n LEU 540 CO 0.16 1.27 0.65 -0.44 -1.33 0.00 0.00 177.39 177.69 2jgm s SER 541 N -1.67 7.08 0.00 -1.43 0.01 -0.87 -5.06 113.70 111.75 2jgm s SER 541 Ca 0.59 -3.18 0.00 0.00 1.31 0.00 0.00 55.95 54.67 2jgm s SER 541 Cb 0.48 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.50 2jgm s SER 541 CO 0.05 -0.43 0.00 0.00 0.41 0.00 0.00 173.24 173.27