#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgk n GLY 2 N 0.00 1.62 0.08 0.62 0.00 -1.26 -3.84 105.19 102.42 2jgk n GLY 2 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2jgk n GLY 2 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jgk h ARG 3 N 0.00 0.10 -6.09 1.61 -0.00 -2.10 -3.48 114.38 104.41 2jgk h ARG 3 Ca 0.00 -0.16 -0.61 0.00 -0.50 0.00 0.00 59.98 58.71 2jgk h ARG 3 Cb 0.00 0.06 0.16 0.00 0.00 0.00 0.00 29.97 30.19 2jgk h ARG 3 CO 0.00 1.04 -0.86 0.39 0.00 0.00 0.00 179.97 180.55 2jgk n GLU 4 N -3.45 0.13 -1.64 0.04 1.02 -1.25 -4.85 120.64 110.64 2jgk n GLU 4 Ca -0.03 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 2jgk n GLU 4 Cb 0.94 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 31.19 2jgk n GLU 4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jgk s ASP 5 N -1.00 6.06 0.56 1.62 -1.08 -1.26 -4.86 116.67 116.70 2jgk s ASP 5 Ca 0.60 2.37 0.30 0.00 -0.52 0.00 0.00 52.55 55.30 2jgk s ASP 5 Cb -0.59 -2.52 1.67 0.00 -1.46 0.00 0.00 42.92 40.01 2jgk s ASP 5 CO 0.62 -1.41 2.17 1.55 0.52 0.00 0.00 175.17 178.61 2jgk h PRO 6 N 12.36 0.00 0.00 4.34 0.13 -1.95 -2.58 132.00 144.30 2jgk h PRO 6 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jgk h PRO 6 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jgk h PRO 6 CO 0.95 0.06 0.00 0.94 -0.23 0.00 0.00 178.00 179.72 2jgk n GLN 7 N -3.67 0.40 0.00 0.86 -0.06 -1.26 -3.38 117.38 110.27 2jgk n GLN 7 Ca -0.02 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 2jgk n GLN 7 Cb 0.17 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.85 2jgk n GLN 7 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2jgk n LEU 8 N -1.18 1.71 -4.38 1.69 4.77 -0.97 -4.80 117.00 113.84 2jgk n LEU 8 Ca 0.11 -1.71 -0.37 0.00 -0.03 0.00 0.00 56.01 54.01 2jgk n LEU 8 Cb 0.12 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.09 2jgk n LEU 8 CO 0.14 0.43 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.60 2jgk s LEU 9 N -0.73 3.79 0.08 2.23 1.43 -1.22 -0.38 118.68 123.89 2jgk s LEU 9 Ca 0.00 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.59 2jgk s LEU 9 Cb 0.00 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2jgk s LEU 9 CO 0.00 -0.16 -0.19 -0.69 0.23 0.00 0.00 176.35 175.54 2jgk s VAL 10 N 1.54 1.57 -0.07 -1.59 1.01 -0.86 -5.01 120.40 116.99 2jgk s VAL 10 Ca 0.04 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.60 2jgk s VAL 10 Cb -0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2jgk s VAL 10 CO 0.03 -0.04 -0.07 -0.60 0.00 0.00 0.00 175.10 174.42 2jgk s ARG 11 N -1.72 2.80 0.34 2.72 3.52 -1.26 -0.03 118.95 125.31 2jgk s ARG 11 Ca 0.05 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 55.13 2jgk s ARG 11 Cb -0.10 -2.60 -0.07 0.00 -1.56 0.00 0.00 34.95 30.63 2jgk s ARG 11 CO 0.03 0.63 0.05 0.14 -0.81 0.00 0.00 175.30 175.34 2jgk s VAL 12 N -0.72 1.30 0.57 7.11 -7.23 0.10 -4.84 120.40 116.70 2jgk s VAL 12 Ca 0.11 -2.00 0.35 0.00 -1.81 0.00 0.00 61.98 58.63 2jgk s VAL 12 Cb -0.11 -2.82 0.51 0.00 0.56 0.00 0.00 36.38 34.52 2jgk s VAL 12 CO 0.02 -0.00 1.70 -0.09 -0.31 0.00 0.00 175.10 176.41 2jgk h ARG 13 N 2.07 0.00 0.00 4.82 9.65 -1.95 0.39 114.38 129.37 2jgk h ARG 13 Ca -0.41 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 2jgk h ARG 13 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2jgk h ARG 13 CO 0.71 0.00 -0.62 0.41 2.80 0.00 0.00 179.97 183.27 2jgk n GLY 14 N -1.72 -1.25 0.00 2.80 0.00 -1.26 -4.86 105.19 98.90 2jgk n GLY 14 Ca 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2jgk n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgk n GLY 15 N 1.46 0.83 3.88 -0.02 0.00 0.14 -1.14 105.19 110.33 2jgk n GLY 15 Ca 0.05 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2jgk n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jgk s GLN 16 N -1.82 3.54 -0.01 1.61 -0.21 -1.25 0.02 119.66 121.53 2jgk s GLN 16 Ca 0.00 -0.06 0.06 0.00 0.02 0.00 0.00 55.36 55.38 2jgk s GLN 16 Cb 0.00 -3.16 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 2jgk s GLN 16 CO 0.00 0.73 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.20 2jgk s LEU 17 N -1.26 2.05 -0.22 2.90 1.43 0.95 -0.39 118.68 124.14 2jgk s LEU 17 Ca 0.20 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2jgk s LEU 17 Cb -0.13 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 2jgk s LEU 17 CO 0.09 0.23 -0.03 -0.60 0.23 0.00 0.00 176.35 176.27 2jgk s ARG 18 N -0.51 3.45 0.00 1.70 3.52 0.79 -2.02 118.95 125.87 2jgk s ARG 18 Ca 0.07 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 2jgk s ARG 18 Cb -0.07 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2jgk s ARG 18 CO -0.01 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 2jgk n GLY 19 N 4.66 1.51 2.84 8.12 0.00 0.49 -0.06 105.19 122.75 2jgk n GLY 19 Ca -0.18 -2.04 -0.16 0.00 0.00 0.00 0.00 46.02 43.65 2jgk n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jgk s ILE 20 N 1.00 0.15 -0.53 -0.61 2.07 0.66 -4.79 121.20 119.16 2jgk s ILE 20 Ca 0.00 0.04 -0.26 0.00 -1.41 0.00 0.00 60.65 59.02 2jgk s ILE 20 Cb 0.00 -0.21 0.03 0.00 0.13 0.00 0.00 42.46 42.42 2jgk s ILE 20 CO 0.00 0.10 1.00 -0.60 -1.91 0.00 0.00 174.94 173.53 2jgk s ARG 21 N 0.64 3.44 0.06 3.50 3.52 -1.26 -0.31 118.95 128.55 2jgk s ARG 21 Ca -0.06 0.00 -0.04 0.00 -0.13 0.00 0.00 55.73 55.50 2jgk s ARG 21 Cb -0.09 -4.00 -0.05 0.00 -1.56 0.00 0.00 34.95 29.25 2jgk s ARG 21 CO -0.01 -1.45 0.29 -0.51 -0.81 0.00 0.00 175.30 172.81 2jgk s LEU 22 N 4.12 4.33 -0.09 -0.88 1.43 -0.23 -4.93 118.68 122.44 2jgk s LEU 22 Ca 0.36 0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 53.74 2jgk s LEU 22 Cb -0.11 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2jgk s LEU 22 CO 0.23 0.17 0.66 -0.75 0.23 0.00 0.00 176.35 176.89 2jgk s LYS 23 N -2.23 4.40 0.25 1.70 2.47 -1.26 -1.19 119.74 123.87 2jgk s LYS 23 Ca 0.34 0.79 0.11 0.00 -1.56 0.00 0.00 55.97 55.65 2jgk s LYS 23 Cb -0.13 -3.46 -0.05 0.00 -1.46 0.00 0.00 37.83 32.73 2jgk s LYS 23 CO 0.22 0.04 -0.20 0.00 0.16 0.00 0.00 175.35 175.56 2jgk s ALA 24 N 0.92 2.61 0.15 3.13 0.00 -0.30 -4.93 121.76 123.35 2jgk s ALA 24 Ca 0.35 -1.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 2jgk s ALA 24 Cb -0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2jgk s ALA 24 CO 0.16 0.29 1.45 -2.30 0.00 0.00 0.00 175.76 175.36 2jgk n PRO 25 N -0.37 -0.40 -0.73 0.00 -0.02 -1.26 -1.95 135.00 130.26 2jgk n PRO 25 Ca -0.07 1.42 0.06 0.00 -2.02 0.00 0.00 63.50 62.89 2jgk n PRO 25 Cb 0.59 -2.09 0.34 0.00 -0.02 0.00 0.00 33.50 32.32 2jgk n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgk n GLY 26 N -1.23 2.69 0.00 -1.23 0.00 -1.26 -5.02 105.19 99.14 2jgk n GLY 26 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2jgk n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgk n GLY 27 N 0.62 0.05 3.91 -0.02 0.00 -0.82 -5.08 105.19 103.84 2jgk n GLY 27 Ca 0.23 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2jgk n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jgk s PRO 28 N -1.57 3.61 0.19 1.61 0.05 -1.26 -1.14 135.00 136.48 2jgk s PRO 28 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 61.00 61.10 2jgk s PRO 28 Cb 0.00 -2.60 -0.05 0.00 0.05 0.00 0.00 34.50 31.90 2jgk s PRO 28 CO 0.00 0.14 -0.06 0.14 0.05 0.00 0.00 177.00 177.27 2jgk s VAL 29 N -2.21 1.15 -0.16 -0.36 -7.23 -0.34 -3.75 120.40 107.51 2jgk s VAL 29 Ca 0.44 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 2jgk s VAL 29 Cb -0.10 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 2jgk s VAL 29 CO 0.32 -0.56 0.18 -0.44 -0.31 0.00 0.00 175.10 174.29 2jgk s SER 30 N -3.24 6.34 -0.09 4.85 0.01 0.12 -1.06 113.70 120.63 2jgk s SER 30 Ca 0.22 0.39 0.02 0.00 1.31 0.00 0.00 55.95 57.89 2jgk s SER 30 Cb 0.04 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 64.17 2jgk s SER 30 CO 0.04 0.25 -0.15 0.00 0.41 0.00 0.00 173.24 173.79 2jgk s ALA 31 N -0.13 1.57 -0.37 1.44 0.00 0.58 -1.26 121.76 123.57 2jgk s ALA 31 Ca 0.13 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 2jgk s ALA 31 Cb -0.12 -0.75 0.08 0.00 0.00 0.00 0.00 23.12 22.33 2jgk s ALA 31 CO 0.02 -0.00 0.15 -0.06 0.00 0.00 0.00 175.76 175.86 2jgk s PHE 32 N 0.87 3.42 -0.05 0.00 0.40 -0.01 -0.24 117.98 122.38 2jgk s PHE 32 Ca -0.10 -2.00 0.02 0.00 -0.60 0.00 0.00 56.93 54.25 2jgk s PHE 32 Cb -0.15 -2.78 -0.03 0.00 0.51 0.00 0.00 43.02 40.57 2jgk s PHE 32 CO 0.01 -0.88 -0.09 -0.51 0.70 0.00 0.00 175.22 174.45 2jgk s LEU 33 N 1.25 3.06 -0.69 -0.37 1.43 0.77 0.03 118.68 124.16 2jgk s LEU 33 Ca 0.03 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2jgk s LEU 33 Cb -0.22 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2jgk s LEU 33 CO -0.01 0.34 0.03 0.61 0.23 0.00 0.00 176.35 177.55 2jgk n GLY 34 N 2.08 0.05 3.68 -3.19 0.00 -1.01 -3.85 105.19 102.95 2jgk n GLY 34 Ca -0.17 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2jgk n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgk s ILE 35 N -2.46 3.47 0.26 -0.61 1.01 -0.08 -4.73 121.20 118.07 2jgk s ILE 35 Ca 0.02 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 2jgk s ILE 35 Cb -0.01 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 2jgk s ILE 35 CO 0.02 -0.01 1.10 -2.16 0.00 0.00 0.00 174.94 173.89 2jgk s PRO 36 N 2.70 4.63 0.00 2.79 0.04 -1.26 -0.44 135.00 143.46 2jgk s PRO 36 Ca 0.68 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2jgk s PRO 36 Cb -0.34 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2jgk s PRO 36 CO 0.29 0.18 0.30 1.97 0.04 0.00 0.00 177.00 179.78 2jgk n PHE 37 N 1.41 0.00 -3.68 0.56 1.16 -1.08 -4.86 117.46 110.97 2jgk n PHE 37 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.45 2jgk n PHE 37 Cb 0.45 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.25 2jgk n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jgk s ALA 38 N -0.29 -0.97 0.26 1.98 0.00 -1.25 -3.02 121.76 118.47 2jgk s ALA 38 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 2jgk s ALA 38 Cb 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 23.12 23.33 2jgk s ALA 38 CO 0.00 -0.43 1.47 -1.21 0.00 0.00 0.00 175.76 175.59 2jgk s GLU 39 N -2.37 4.23 0.08 0.00 0.41 0.16 -4.57 118.70 116.65 2jgk s GLU 39 Ca -0.06 2.37 -0.35 0.00 -0.41 0.00 0.00 54.97 56.52 2jgk s GLU 39 Cb -0.01 -3.09 -0.14 0.00 -1.78 0.00 0.00 34.13 29.11 2jgk s GLU 39 CO -0.02 -0.47 1.61 -2.30 -0.49 0.00 0.00 175.26 173.60 2jgk n PRO 40 N 2.22 1.96 -0.75 0.39 -0.02 -1.26 -4.58 135.00 132.96 2jgk n PRO 40 Ca 0.07 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 62.16 2jgk n PRO 40 Cb 0.40 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 2jgk n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jgk n PRO 41 N 4.01 1.53 -3.21 0.52 -0.04 -1.26 -4.88 135.00 131.67 2jgk n PRO 41 Ca 0.19 -0.78 -0.18 0.00 -0.04 0.00 0.00 63.50 62.68 2jgk n PRO 41 Cb 0.27 -1.90 -0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2jgk n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jgk s VAL 42 N 1.59 2.84 0.00 0.52 -7.23 -1.26 -3.58 120.40 113.28 2jgk s VAL 42 Ca 0.49 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2jgk s VAL 42 Cb 0.23 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2jgk s VAL 42 CO -0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2jgk n GLY 43 N -1.76 3.76 0.13 2.32 0.00 -1.26 -0.40 105.19 107.98 2jgk n GLY 43 Ca 0.07 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2jgk n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jgk n SER 44 N 5.77 0.45 -0.09 1.61 3.41 -1.26 -2.11 113.62 121.40 2jgk n SER 44 Ca 0.00 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 2jgk n SER 44 Cb 0.00 -0.77 0.47 0.00 -0.26 0.00 0.00 64.21 63.65 2jgk n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jgk n ARG 45 N -2.10 0.41 -1.83 4.33 1.74 0.47 -4.86 116.66 114.80 2jgk n ARG 45 Ca -0.01 -0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.48 2jgk n ARG 45 Cb 0.03 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 2jgk n ARG 45 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jgk s ARG 46 N -2.71 4.16 0.00 5.56 3.52 -0.90 -1.81 118.95 126.77 2jgk s ARG 46 Ca 0.21 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.31 2jgk s ARG 46 Cb 0.19 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 2jgk s ARG 46 CO 0.55 -0.59 0.00 1.19 -0.81 0.00 0.00 175.30 175.64 2jgk n PHE 47 N 2.47 0.00 -3.94 5.12 3.72 -1.26 -4.94 117.46 118.63 2jgk n PHE 47 Ca 0.09 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.22 2jgk n PHE 47 Cb 0.38 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 2jgk n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jgk s MET 48 N -0.06 3.43 0.75 -1.08 -1.94 -0.75 -4.25 119.30 115.39 2jgk s MET 48 Ca 0.00 -0.57 -0.16 0.00 -1.71 0.00 0.00 55.69 53.25 2jgk s MET 48 Cb 0.00 -2.97 -0.02 0.00 2.01 0.00 0.00 34.83 33.85 2jgk s MET 48 CO 0.00 0.54 0.61 -2.30 -0.01 0.00 0.00 175.02 173.86 2jgk n PRO 49 N -0.36 0.27 -2.86 2.03 -0.02 -1.26 -4.92 135.00 127.87 2jgk n PRO 49 Ca -0.07 0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 61.18 2jgk n PRO 49 Cb 0.53 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 2jgk n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jgk s PRO 50 N -2.98 4.50 -0.09 0.52 0.04 -1.26 -5.05 135.00 130.68 2jgk s PRO 50 Ca 0.66 1.21 -0.04 0.00 0.04 0.00 0.00 61.00 62.87 2jgk s PRO 50 Cb -0.33 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2jgk s PRO 50 CO 0.58 0.31 0.09 -1.21 0.04 0.00 0.00 177.00 176.80 2jgk s GLU 51 N -2.03 3.24 0.60 4.56 2.02 -1.26 -5.01 118.70 120.81 2jgk s GLU 51 Ca 0.48 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 55.02 2jgk s GLU 51 Cb -0.18 -3.01 -0.06 0.00 0.10 0.00 0.00 34.13 30.98 2jgk s GLU 51 CO 0.23 0.73 0.85 -2.30 0.02 0.00 0.00 175.26 174.80 2jgk n PRO 52 N 1.90 0.79 -2.30 0.39 -0.02 -1.26 0.38 135.00 134.88 2jgk n PRO 52 Ca -0.18 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 2jgk n PRO 52 Cb 0.54 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 2jgk n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jgk s LYS 53 N -2.60 3.96 0.23 -0.52 2.47 -1.17 -3.80 119.74 118.31 2jgk s LYS 53 Ca 0.74 1.52 -0.31 0.00 -1.56 0.00 0.00 55.97 56.37 2jgk s LYS 53 Cb -0.42 -3.91 -0.10 0.00 -1.46 0.00 0.00 37.83 31.93 2jgk s LYS 53 CO 0.49 -1.07 1.51 1.03 0.16 0.00 0.00 175.35 177.46 2jgk s ARG 54 N 4.18 4.23 0.32 4.03 0.52 -1.26 -4.87 118.95 126.09 2jgk s ARG 54 Ca 0.62 2.36 -0.27 0.00 -0.52 0.00 0.00 55.73 57.92 2jgk s ARG 54 Cb -0.21 -3.11 -0.14 0.00 0.52 0.00 0.00 34.95 32.01 2jgk s ARG 54 CO 0.24 -0.51 0.92 -2.30 0.02 0.00 0.00 175.30 173.66 2jgk n PRO 55 N 2.85 1.15 -3.62 3.54 -0.02 -1.26 -5.01 135.00 132.63 2jgk n PRO 55 Ca 0.09 0.41 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 2jgk n PRO 55 Cb 0.39 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 2jgk n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jgk s TRP 56 N -1.13 2.73 0.22 6.00 -2.14 -0.29 -5.03 118.94 119.29 2jgk s TRP 56 Ca 0.60 -0.47 0.10 0.00 2.66 0.00 0.00 56.10 59.00 2jgk s TRP 56 Cb -0.69 -2.10 -0.04 0.00 -3.10 0.00 0.00 33.47 27.53 2jgk s TRP 56 CO 0.59 -0.06 -0.15 -1.54 -2.66 0.00 0.00 176.95 173.13 2jgk s SER 57 N -4.10 3.91 0.03 -2.66 1.04 -1.26 -4.65 113.70 106.01 2jgk s SER 57 Ca 0.47 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2jgk s SER 57 Cb -0.03 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2jgk s SER 57 CO 0.27 0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.19 2jgk n GLY 58 N -0.15 -1.76 3.52 7.32 0.00 -1.26 -4.78 105.19 108.08 2jgk n GLY 58 Ca -0.10 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 2jgk n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgk s VAL 59 N 0.00 5.09 0.07 1.61 1.01 -1.26 -3.89 120.40 123.04 2jgk s VAL 59 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 2jgk s VAL 59 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2jgk s VAL 59 CO 0.00 0.09 1.10 -0.22 0.00 0.00 0.00 175.10 176.06 2jgk s LEU 60 N 1.70 4.41 -0.29 3.92 2.96 0.47 -4.84 118.68 127.01 2jgk s LEU 60 Ca 0.06 1.92 -0.29 0.00 -0.22 0.00 0.00 54.13 55.60 2jgk s LEU 60 Cb -0.17 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.95 2jgk s LEU 60 CO 0.09 -0.32 1.08 -0.62 -1.32 0.00 0.00 176.35 175.26 2jgk s ASP 61 N 0.70 6.97 -0.51 3.68 -1.08 -1.26 -0.15 116.67 125.02 2jgk s ASP 61 Ca 0.54 1.15 0.06 0.00 -0.52 0.00 0.00 52.55 53.78 2jgk s ASP 61 Cb -0.27 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.02 2jgk s ASP 61 CO 0.30 -0.83 0.98 0.00 0.52 0.00 0.00 175.17 176.14 2jgk n ALA 62 N 6.75 4.51 0.08 3.66 0.00 0.91 -4.74 120.51 131.69 2jgk n ALA 62 Ca 0.12 -4.40 0.01 0.00 0.00 0.00 0.00 53.44 49.17 2jgk n ALA 62 Cb 0.47 -0.70 0.01 0.00 0.00 0.00 0.00 19.45 19.23 2jgk n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jgk n THR 63 N -0.27 0.01 -4.08 0.00 -2.24 -1.25 -0.16 114.28 106.29 2jgk n THR 63 Ca 0.32 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 2jgk n THR 63 Cb 0.52 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.68 2jgk n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jgk s THR 64 N -0.17 0.44 0.41 4.28 -4.23 -1.26 -4.89 115.64 110.21 2jgk s THR 64 Ca 0.02 -1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 58.85 2jgk s THR 64 Cb 0.02 -1.03 -0.08 0.00 1.34 0.00 0.00 72.50 72.75 2jgk s THR 64 CO 0.03 -0.67 1.21 -0.36 -0.54 0.00 0.00 174.62 174.28 2jgk s PHE 65 N -2.54 2.95 0.69 3.99 0.08 -1.26 -3.49 117.98 118.40 2jgk s PHE 65 Ca -0.02 1.51 -0.07 0.00 0.12 0.00 0.00 56.93 58.47 2jgk s PHE 65 Cb -0.02 -3.47 0.15 0.00 -0.57 0.00 0.00 43.02 39.11 2jgk s PHE 65 CO -0.03 -1.58 0.94 1.04 -0.10 0.00 0.00 175.22 175.49 2jgk n GLN 66 N -0.02 -0.53 -1.30 0.44 1.13 -1.26 -4.91 117.38 110.92 2jgk n GLN 66 Ca 0.05 -1.91 -0.37 0.00 -1.94 0.00 0.00 57.00 52.82 2jgk n GLN 66 Cb 0.46 -0.83 0.05 0.00 0.11 0.00 0.00 30.24 30.03 2jgk n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jgk n ASN 67 N -3.32 -1.84 -4.69 1.08 3.02 -1.26 -4.82 115.26 103.43 2jgk n ASN 67 Ca 0.13 0.62 -0.35 0.00 -0.03 0.00 0.00 54.58 54.95 2jgk n ASN 67 Cb 0.47 -1.12 -0.09 0.00 -0.61 0.00 0.00 39.78 38.43 2jgk n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jgk s VAL 68 N -1.87 4.50 0.50 2.41 1.01 -0.20 -4.73 120.40 122.01 2jgk s VAL 68 Ca 0.64 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 2jgk s VAL 68 Cb -0.39 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2jgk s VAL 68 CO 0.60 0.59 1.26 0.00 0.00 0.00 0.00 175.10 177.55 2jgk s TYR 70 N -1.28 1.55 0.19 0.00 5.04 -1.12 -4.69 117.35 117.05 2jgk s TYR 70 Ca 0.67 -0.33 -0.09 0.00 -2.44 0.00 0.00 57.07 54.88 2jgk s TYR 70 Cb -0.46 -4.23 -0.01 0.00 0.35 0.00 0.00 41.96 37.61 2jgk s TYR 70 CO 0.53 -5.38 0.31 1.14 -1.34 0.00 0.00 175.55 170.81 2jgk s GLN 71 N 3.91 1.28 0.17 4.97 -2.07 -1.26 -4.72 119.66 121.94 2jgk s GLN 71 Ca 0.86 -1.28 -0.31 0.00 -1.82 0.00 0.00 55.36 52.81 2jgk s GLN 71 Cb -0.44 0.38 -0.09 0.00 -1.09 0.00 0.00 33.01 31.78 2jgk s GLN 71 CO 0.40 -0.48 1.37 -0.47 -1.32 0.00 0.00 175.29 174.79 2jgk s TYR 72 N -4.02 3.21 -0.21 9.60 6.14 -1.26 -5.02 117.35 125.79 2jgk s TYR 72 Ca 0.23 1.07 -0.12 0.00 0.64 0.00 0.00 57.07 58.89 2jgk s TYR 72 Cb 0.03 -3.67 -0.05 0.00 0.42 0.00 0.00 41.96 38.69 2jgk s TYR 72 CO 0.05 -2.24 0.20 0.08 0.64 0.00 0.00 175.55 174.28 2jgk s VAL 73 N 0.51 5.34 0.11 3.14 1.01 -1.26 -4.92 120.40 124.33 2jgk s VAL 73 Ca 0.61 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.58 2jgk s VAL 73 Cb -0.38 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 2jgk s VAL 73 CO 0.36 0.36 1.26 -0.62 0.00 0.00 0.00 175.10 176.45 2jgk s ASP 74 N 0.79 7.00 -0.03 3.32 2.15 -1.26 -4.91 116.67 123.73 2jgk s ASP 74 Ca 0.10 2.16 0.04 0.00 0.43 0.00 0.00 52.55 55.28 2jgk s ASP 74 Cb -0.13 -2.59 0.06 0.00 -0.30 0.00 0.00 42.92 39.96 2jgk s ASP 74 CO 0.03 -0.50 0.90 0.35 -0.17 0.00 0.00 175.17 175.78 2jgk n THR 75 N 3.59 0.52 -0.17 1.71 -2.24 -1.26 -4.85 114.28 111.58 2jgk n THR 75 Ca 0.09 -0.59 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 2jgk n THR 75 Cb 0.45 0.48 0.06 0.00 -2.10 0.00 0.00 70.33 69.21 2jgk n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jgk h LEU 76 N 0.00 0.38 -6.51 3.22 5.85 -2.01 -3.35 115.31 112.89 2jgk h LEU 76 Ca 0.00 0.03 -0.60 0.00 0.84 0.00 0.00 57.88 58.15 2jgk h LEU 76 Cb 1.10 -0.04 -0.40 0.00 0.37 0.00 0.00 40.66 41.69 2jgk h LEU 76 CO 0.00 0.26 -0.83 -1.22 -0.34 0.00 0.00 178.44 176.31 2jgk n TYR 77 N -4.88 0.97 -1.31 1.25 4.01 -1.26 -5.12 117.16 110.83 2jgk n TYR 77 Ca 0.05 -3.75 -0.49 0.00 -0.16 0.00 0.00 57.90 53.55 2jgk n TYR 77 Cb 0.14 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 38.92 2jgk n TYR 77 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2jgk n PRO 78 N 2.12 0.00 0.00 -0.72 -0.01 -1.26 -1.24 135.00 133.89 2jgk n PRO 78 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.75 2jgk n PRO 78 Cb 0.44 -1.16 0.00 0.00 -0.01 0.00 0.00 33.50 32.77 2jgk n PRO 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2jgk n GLY 79 N 1.52 2.98 3.60 -1.23 0.00 -1.26 -4.98 105.19 105.82 2jgk n GLY 79 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2jgk n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jgk s PHE 80 N -2.02 2.88 0.25 1.61 5.36 -0.37 -4.92 117.98 120.77 2jgk s PHE 80 Ca 0.00 0.78 -0.05 0.00 -0.96 0.00 0.00 56.93 56.70 2jgk s PHE 80 Cb 0.00 -4.28 0.49 0.00 -0.34 0.00 0.00 43.02 38.89 2jgk s PHE 80 CO 0.00 -1.17 1.65 1.49 -1.46 0.00 0.00 175.22 175.73 2jgk h GLU 81 N 9.02 0.16 0.00 10.12 4.57 -1.94 0.84 114.58 137.36 2jgk h GLU 81 Ca -0.23 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2jgk h GLU 81 Cb 1.06 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2jgk h GLU 81 CO 1.11 0.11 0.00 0.41 -1.18 0.00 0.00 179.01 179.45 2jgk n GLY 82 N -1.39 -0.93 0.05 1.92 0.00 -1.26 -1.33 105.19 102.25 2jgk n GLY 82 Ca 0.15 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 2jgk n GLY 82 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jgk n THR 83 N -2.21 0.63 0.07 2.61 -2.24 -0.01 -4.67 114.28 108.45 2jgk n THR 83 Ca -0.01 -0.31 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 2jgk n THR 83 Cb 0.07 -0.84 0.35 0.00 -2.10 0.00 0.00 70.33 67.81 2jgk n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jgk h GLU 84 N 0.00 0.37 -0.09 -0.78 4.39 -0.74 -2.61 114.58 115.10 2jgk h GLU 84 Ca -0.25 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.40 2jgk h GLU 84 Cb 1.47 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.06 2jgk h GLU 84 CO -0.01 0.46 0.35 0.00 -1.16 0.00 0.00 179.01 178.64 2jgk h MET 85 N 0.35 0.00 0.00 2.33 -0.00 -1.44 0.14 114.93 116.32 2jgk h MET 85 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 2jgk h MET 85 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 2jgk h MET 85 CO 0.02 0.00 -1.30 0.91 -0.00 0.00 0.00 176.91 176.54 2jgk n TRP 86 N -3.10 0.00 -2.22 -0.10 7.02 -0.99 -4.72 117.44 113.34 2jgk n TRP 86 Ca 0.00 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.11 2jgk n TRP 86 Cb 0.43 -0.15 -0.01 0.00 -2.42 0.00 0.00 31.31 29.16 2jgk n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jgk s ASN 87 N -3.46 6.10 0.36 -0.99 0.01 0.50 -4.76 114.94 112.71 2jgk s ASN 87 Ca 0.03 2.35 -0.24 0.00 -0.71 0.00 0.00 52.86 54.28 2jgk s ASN 87 Cb 0.15 -2.61 -0.13 0.00 0.41 0.00 0.00 41.25 39.07 2jgk s ASN 87 CO 0.88 -0.97 0.64 -2.65 -1.51 0.00 0.00 177.10 173.49 2jgk n PRO 88 N -0.52 0.67 -0.07 -0.60 -0.02 -1.26 -4.92 135.00 128.28 2jgk n PRO 88 Ca 0.07 0.24 0.02 0.00 -2.02 0.00 0.00 63.50 61.81 2jgk n PRO 88 Cb 0.48 -1.51 0.02 0.00 -0.02 0.00 0.00 33.50 32.47 2jgk n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jgk n ASN 89 N 1.37 1.24 -4.19 2.55 2.04 -1.26 -5.02 115.26 111.99 2jgk n ASN 89 Ca 0.12 -1.88 -0.12 0.00 -0.44 0.00 0.00 54.58 52.26 2jgk n ASN 89 Cb 0.36 -0.09 -0.10 0.00 -2.53 0.00 0.00 39.78 37.42 2jgk n ASN 89 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 2jgk s ARG 90 N -0.90 1.15 0.20 -3.83 1.81 -1.26 -5.06 118.95 111.06 2jgk s ARG 90 Ca 0.05 -1.59 -0.30 0.00 -1.72 0.00 0.00 55.73 52.17 2jgk s ARG 90 Cb 0.05 0.27 -0.16 0.00 -0.45 0.00 0.00 34.95 34.65 2jgk s ARG 90 CO 0.00 -0.37 0.88 -1.91 -0.68 0.00 0.00 175.30 173.23 2jgk n GLU 91 N -0.24 0.69 -2.82 3.54 2.13 -1.26 -4.42 120.64 118.26 2jgk n GLU 91 Ca 0.00 0.24 -0.41 0.00 0.66 0.00 0.00 57.16 57.66 2jgk n GLU 91 Cb 0.65 -1.53 -0.04 0.00 0.27 0.00 0.00 31.44 30.79 2jgk n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jgk s LEU 92 N 1.36 4.41 0.00 4.31 1.43 -1.26 -1.04 118.68 127.90 2jgk s LEU 92 Ca 0.67 1.58 -0.28 0.00 -1.03 0.00 0.00 54.13 55.08 2jgk s LEU 92 Cb -0.88 -3.43 0.09 0.00 0.03 0.00 0.00 46.19 42.00 2jgk s LEU 92 CO 0.56 -0.13 0.75 -0.55 0.23 0.00 0.00 176.35 177.21 2jgk s SER 93 N 0.48 -0.53 0.44 2.29 0.15 -0.80 -4.93 113.70 110.80 2jgk s SER 93 Ca 0.46 0.32 0.24 0.00 0.70 0.00 0.00 55.95 57.67 2jgk s SER 93 Cb -0.21 0.49 0.78 0.00 -1.71 0.00 0.00 66.02 65.37 2jgk s SER 93 CO 0.26 -0.67 1.76 -0.33 1.20 0.00 0.00 173.24 175.46 2jgk h GLU 94 N 2.44 0.00 -5.75 5.44 5.08 -1.95 -2.96 114.58 116.89 2jgk h GLU 94 Ca -0.27 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.44 2jgk h GLU 94 Cb 1.21 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.35 2jgk h GLU 94 CO 0.36 0.19 1.64 0.34 -1.00 0.00 0.00 179.01 180.53 2jgk s ASP 95 N -6.14 6.69 0.00 1.42 2.15 -1.26 -4.31 116.67 115.21 2jgk s ASP 95 Ca 0.02 -2.02 0.00 0.00 0.43 0.00 0.00 52.55 50.98 2jgk s ASP 95 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2jgk s ASP 95 CO 0.64 -1.26 0.14 0.00 -0.17 0.00 0.00 175.17 174.52 2jgk s LEU 97 N -0.01 4.23 0.21 0.00 1.43 -1.26 -4.64 118.68 118.64 2jgk s LEU 97 Ca 0.00 -2.48 0.03 0.00 -1.03 0.00 0.00 54.13 50.65 2jgk s LEU 97 Cb 0.00 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 2jgk s LEU 97 CO 0.00 -1.08 -0.00 -0.31 0.23 0.00 0.00 176.35 175.19 2jgk s TYR 98 N 3.44 1.43 0.15 0.29 2.02 -1.26 -2.62 117.35 120.81 2jgk s TYR 98 Ca 0.49 -0.96 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2jgk s TYR 98 Cb 0.01 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 2jgk s TYR 98 CO 0.03 -0.10 0.02 -0.48 -1.57 0.00 0.00 175.55 173.45 2jgk s LEU 99 N -3.26 2.00 0.06 -1.29 0.05 0.42 -1.40 118.68 115.26 2jgk s LEU 99 Ca 0.27 -1.18 0.07 0.00 0.05 0.00 0.00 54.13 53.33 2jgk s LEU 99 Cb 0.06 0.09 -0.03 0.00 -2.05 0.00 0.00 46.19 44.25 2jgk s LEU 99 CO 0.07 -0.63 -0.19 0.20 -0.55 0.00 0.00 176.35 175.25 2jgk s ASN 100 N -3.12 2.26 -0.09 1.48 0.01 0.14 -0.90 114.94 114.72 2jgk s ASN 100 Ca 0.23 -0.55 0.01 0.00 -0.71 0.00 0.00 52.86 51.84 2jgk s ASN 100 Cb 0.07 -0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.59 2jgk s ASN 100 CO 0.03 0.10 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.92 2jgk s VAL 101 N -0.92 1.09 -0.16 1.60 1.01 0.10 -1.94 120.40 121.19 2jgk s VAL 101 Ca 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2jgk s VAL 101 Cb -0.09 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2jgk s VAL 101 CO 0.02 0.36 -0.03 0.26 0.00 0.00 0.00 175.10 175.71 2jgk s TRP 102 N 1.17 3.02 0.06 5.22 0.51 0.52 -0.83 118.94 128.62 2jgk s TRP 102 Ca -0.05 -0.35 0.03 0.00 -2.12 0.00 0.00 56.10 53.61 2jgk s TRP 102 Cb -0.14 -1.98 -0.03 0.00 -0.81 0.00 0.00 33.47 30.51 2jgk s TRP 102 CO -0.02 -0.08 -0.08 0.95 -0.51 0.00 0.00 176.95 177.20 2jgk s THR 103 N 0.48 0.67 1.00 2.01 -4.23 -0.39 -0.80 115.64 114.38 2jgk s THR 103 Ca -0.03 -1.33 -0.20 0.00 -1.18 0.00 0.00 61.69 58.95 2jgk s THR 103 Cb -0.14 -0.95 -0.14 0.00 1.34 0.00 0.00 72.50 72.61 2jgk s THR 103 CO 0.03 -0.48 -0.92 -2.65 -0.54 0.00 0.00 174.62 170.05 2jgk n PRO 104 N 1.05 -0.08 -3.79 3.99 -0.02 -1.26 0.16 135.00 135.05 2jgk n PRO 104 Ca -0.20 -0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.02 2jgk n PRO 104 Cb 0.56 -1.09 -0.17 0.00 -0.02 0.00 0.00 33.50 32.78 2jgk n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgk s TYR 105 N -2.04 0.87 0.85 6.00 5.04 -1.25 -2.77 117.35 124.06 2jgk s TYR 105 Ca 0.41 -0.36 -0.10 0.00 -2.44 0.00 0.00 57.07 54.58 2jgk s TYR 105 Cb -0.09 -0.91 0.11 0.00 0.35 0.00 0.00 41.96 41.41 2jgk s TYR 105 CO 0.76 -0.40 1.12 -1.25 -1.34 0.00 0.00 175.55 174.45 2jgk s PRO 106 N 1.91 1.57 0.27 4.97 0.04 -1.26 -4.81 135.00 137.70 2jgk s PRO 106 Ca 0.04 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 2jgk s PRO 106 Cb -0.13 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 2jgk s PRO 106 CO -0.06 -2.19 1.33 0.54 0.04 0.00 0.00 177.00 176.65 2jgk n ARG 107 N -3.90 1.96 -0.81 4.56 1.74 -1.11 -4.87 116.66 114.22 2jgk n ARG 107 Ca 0.11 0.69 -0.30 0.00 -0.77 0.00 0.00 57.85 57.58 2jgk n ARG 107 Cb 0.52 -2.30 0.17 0.00 -1.02 0.00 0.00 32.46 29.84 2jgk n ARG 107 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2jgk s PRO 108 N -0.93 0.76 0.00 5.56 0.04 -1.26 -5.02 135.00 134.15 2jgk s PRO 108 Ca 0.64 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2jgk s PRO 108 Cb -0.64 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2jgk s PRO 108 CO 0.54 -2.70 0.66 0.00 0.04 0.00 0.00 177.00 175.54 2jgk n ALA 109 N -4.25 -0.30 -2.07 8.56 0.00 -1.26 -4.88 120.51 116.31 2jgk n ALA 109 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 2jgk n ALA 109 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.02 2jgk n ALA 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jgk s SER 110 N -2.18 5.42 -0.32 0.00 1.04 -1.26 -5.01 113.70 111.39 2jgk s SER 110 Ca 0.00 0.54 -0.28 0.00 0.48 0.00 0.00 55.95 56.69 2jgk s SER 110 Cb 0.00 -1.48 0.02 0.00 0.10 0.00 0.00 66.02 64.66 2jgk s SER 110 CO 0.00 -1.15 1.04 -2.16 0.98 0.00 0.00 173.24 171.96 2jgk s PRO 111 N -4.97 4.05 0.35 4.02 0.05 -1.26 -4.94 135.00 132.29 2jgk s PRO 111 Ca 0.55 1.02 -0.25 0.00 0.05 0.00 0.00 61.00 62.37 2jgk s PRO 111 Cb -0.10 -3.74 -0.10 0.00 0.05 0.00 0.00 34.50 30.61 2jgk s PRO 111 CO 0.44 -0.88 0.96 0.99 0.05 0.00 0.00 177.00 178.56 2jgk s THR 112 N 3.58 4.17 0.55 1.26 2.01 -0.60 -4.56 115.64 122.05 2jgk s THR 112 Ca 0.44 1.70 -0.21 0.00 0.31 0.00 0.00 61.69 63.93 2jgk s THR 112 Cb -0.12 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2jgk s THR 112 CO 0.15 0.05 1.32 -2.84 -0.69 0.00 0.00 174.62 172.61 2jgk s PRO 113 N -2.29 3.14 -0.08 4.92 0.02 -1.26 -0.25 135.00 139.20 2jgk s PRO 113 Ca 0.53 2.13 -0.00 0.00 0.02 0.00 0.00 61.00 63.67 2jgk s PRO 113 Cb -0.18 -2.21 -0.03 0.00 0.02 0.00 0.00 34.50 32.11 2jgk s PRO 113 CO 0.23 -1.16 -0.05 0.08 -0.33 0.00 0.00 177.00 175.77 2jgk s VAL 114 N -1.36 3.89 -0.11 3.83 1.01 0.68 -2.93 120.40 125.40 2jgk s VAL 114 Ca 0.72 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.32 2jgk s VAL 114 Cb -0.38 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2jgk s VAL 114 CO 0.44 0.59 -0.20 -0.76 0.00 0.00 0.00 175.10 175.17 2jgk s LEU 115 N -0.71 2.30 -0.13 3.92 1.43 0.16 -1.40 118.68 124.25 2jgk s LEU 115 Ca 0.11 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2jgk s LEU 115 Cb -0.11 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2jgk s LEU 115 CO 0.02 0.16 -0.12 -0.63 0.23 0.00 0.00 176.35 176.01 2jgk s ILE 116 N 0.35 3.15 -0.23 -0.59 1.01 0.03 -1.06 121.20 123.86 2jgk s ILE 116 Ca -0.16 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.78 2jgk s ILE 116 Cb -0.17 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2jgk s ILE 116 CO 0.08 0.52 0.10 0.86 0.00 0.00 0.00 174.94 176.50 2jgk s TRP 117 N 0.37 3.19 -0.35 3.97 -0.11 0.88 -0.21 118.94 126.67 2jgk s TRP 117 Ca -0.10 -0.07 -0.06 0.00 1.22 0.00 0.00 56.10 57.10 2jgk s TRP 117 Cb -0.16 -2.21 0.06 0.00 -1.50 0.00 0.00 33.47 29.66 2jgk s TRP 117 CO 0.05 -0.09 0.13 0.42 -4.62 0.00 0.00 176.95 172.84 2jgk s ILE 118 N 1.15 3.65 0.84 5.86 1.01 -0.26 -3.85 121.20 129.59 2jgk s ILE 118 Ca 0.05 -1.35 -0.11 0.00 0.00 0.00 0.00 60.65 59.25 2jgk s ILE 118 Cb -0.14 -3.16 0.09 0.00 0.01 0.00 0.00 42.46 39.26 2jgk s ILE 118 CO 0.04 -0.29 1.09 -0.72 0.00 0.00 0.00 174.94 175.06 2jgk s TYR 119 N 1.34 2.39 0.00 3.97 -0.85 -1.26 -3.36 117.35 119.58 2jgk s TYR 119 Ca -0.00 1.45 0.00 0.00 -0.52 0.00 0.00 57.07 58.00 2jgk s TYR 119 Cb -0.21 -3.11 0.00 0.00 0.38 0.00 0.00 41.96 39.02 2jgk s TYR 119 CO 0.01 -2.14 0.00 0.41 -1.52 0.00 0.00 175.55 172.31 2jgk n GLY 120 N -1.04 3.75 0.00 5.49 0.00 -1.19 -3.09 105.19 109.11 2jgk n GLY 120 Ca 0.08 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2jgk n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgk n GLY 121 N 5.00 0.81 2.25 -0.02 0.00 -1.25 -4.28 105.19 107.70 2jgk n GLY 121 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jgk n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgk n GLY 122 N 0.00 0.49 3.20 -0.02 0.00 -1.26 -1.46 105.19 106.14 2jgk n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jgk n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgk n PHE 123 N -2.68 0.00 0.21 1.61 3.72 -1.26 -4.75 117.46 114.31 2jgk n PHE 123 Ca -0.15 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.27 2jgk n PHE 123 Cb 0.54 -0.83 -0.01 0.00 -0.94 0.00 0.00 39.48 38.24 2jgk n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jgk n TYR 124 N -2.15 0.00 -3.84 1.38 0.18 -0.75 0.77 117.16 112.74 2jgk n TYR 124 Ca 0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.70 2jgk n TYR 124 Cb 0.08 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.01 2jgk n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jgk s SER 125 N -1.06 -0.26 0.00 9.48 1.04 -0.54 -4.09 113.70 118.28 2jgk s SER 125 Ca 0.03 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2jgk s SER 125 Cb 0.04 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.84 2jgk s SER 125 CO 0.14 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2jgk n GLY 126 N -0.43 3.91 3.58 7.32 0.00 -1.26 -3.92 105.19 114.39 2jgk n GLY 126 Ca -0.05 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 2jgk n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgk s ALA 127 N -2.21 -1.80 -1.62 4.61 0.00 -1.26 -4.64 121.76 114.83 2jgk s ALA 127 Ca 0.00 1.69 0.30 0.00 0.00 0.00 0.00 51.96 53.96 2jgk s ALA 127 Cb 0.00 -0.68 1.58 0.00 0.00 0.00 0.00 23.12 24.02 2jgk s ALA 127 CO 0.00 -0.34 2.07 0.00 0.00 0.00 0.00 175.76 177.49 2jgk n ALA 128 N 1.77 2.58 0.66 0.00 0.00 -1.26 -3.54 120.51 120.71 2jgk n ALA 128 Ca -0.16 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.22 2jgk n ALA 128 Cb 0.56 -1.47 0.09 0.00 0.00 0.00 0.00 19.45 18.63 2jgk n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jgk n SER 129 N -1.15 0.63 -4.59 0.00 3.41 -1.26 -4.82 113.62 105.83 2jgk n SER 129 Ca 0.17 -0.18 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 2jgk n SER 129 Cb 0.21 0.56 0.01 0.00 -0.26 0.00 0.00 64.21 64.74 2jgk n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgk n LEU 130 N -1.89 2.32 -0.32 1.04 4.77 -1.23 -4.88 117.00 116.80 2jgk n LEU 130 Ca 0.03 1.01 0.06 0.00 -0.03 0.00 0.00 56.01 57.08 2jgk n LEU 130 Cb 0.41 -1.32 0.21 0.00 -2.33 0.00 0.00 43.42 40.39 2jgk n LEU 130 CO 0.39 -1.66 1.17 0.44 -1.33 0.00 0.00 177.39 176.39 2jgk h ASP 131 N 1.42 0.73 0.03 -1.43 3.32 -1.92 -1.54 116.42 117.03 2jgk h ASP 131 Ca -0.44 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2jgk h ASP 131 Cb 1.35 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2jgk h ASP 131 CO 0.56 0.38 0.00 1.33 -1.72 0.00 0.00 179.24 179.79 2jgk n VAL 132 N -4.73 0.07 -1.08 -1.35 0.24 -1.26 -1.80 118.33 108.42 2jgk n VAL 132 Ca 0.17 0.02 0.09 0.00 -2.04 0.00 0.00 64.34 62.57 2jgk n VAL 132 Cb 0.35 -0.79 0.19 0.00 -1.47 0.00 0.00 33.84 32.12 2jgk n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgk n TYR 133 N -1.03 0.43 -1.87 6.34 4.01 -0.58 -4.49 117.16 119.97 2jgk n TYR 133 Ca 0.10 -1.00 -0.42 0.00 -0.16 0.00 0.00 57.90 56.42 2jgk n TYR 133 Cb 0.06 -0.24 -0.03 0.00 -0.31 0.00 0.00 39.34 38.82 2jgk n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jgk s ASP 134 N -2.50 6.57 0.00 7.72 -1.08 -0.75 -4.88 116.67 121.76 2jgk s ASP 134 Ca 0.37 2.46 0.28 0.00 -0.52 0.00 0.00 52.55 55.14 2jgk s ASP 134 Cb 0.32 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 40.43 2jgk s ASP 134 CO 0.05 -0.96 1.82 0.61 0.52 0.00 0.00 175.17 177.21 2jgk n GLY 135 N 4.23 -0.19 0.29 2.66 0.00 -1.26 -4.33 105.19 106.59 2jgk n GLY 135 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 2jgk n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jgk h ARG 136 N 1.85 0.68 -0.07 1.61 0.11 -1.90 -1.09 114.38 115.56 2jgk h ARG 136 Ca 0.00 -0.13 -0.24 0.00 0.10 0.00 0.00 59.98 59.71 2jgk h ARG 136 Cb 0.39 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.38 2jgk h ARG 136 CO 0.00 0.63 -0.91 0.74 0.10 0.00 0.00 179.97 180.52 2jgk h PHE 137 N 0.65 1.03 -0.42 4.08 0.04 -1.77 0.53 116.94 121.08 2jgk h PHE 137 Ca 0.15 -0.51 -0.11 0.00 2.80 0.00 0.00 57.97 60.30 2jgk h PHE 137 Cb 0.27 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 2jgk h PHE 137 CO 0.01 1.34 -0.16 -0.07 -0.60 0.00 0.00 178.31 178.84 2jgk h LEU 138 N 0.45 0.88 0.54 1.54 3.38 -1.70 0.14 115.31 120.54 2jgk h LEU 138 Ca -0.09 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2jgk h LEU 138 Cb 1.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2jgk h LEU 138 CO 0.18 1.07 -0.46 0.00 0.09 0.00 0.00 178.44 179.32 2jgk h ALA 139 N 0.84 -1.16 0.09 1.53 0.00 -1.13 -1.89 119.26 117.54 2jgk h ALA 139 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jgk h ALA 139 Cb 0.71 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2jgk h ALA 139 CO 0.05 -1.16 -0.05 0.37 0.00 0.00 0.00 179.25 178.46 2jgk h GLN 140 N -0.97 -0.12 0.00 0.00 -0.00 -0.78 -0.99 115.11 112.25 2jgk h GLN 140 Ca -0.07 0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.47 2jgk h GLN 140 Cb 0.82 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.31 2jgk h GLN 140 CO -0.01 -0.03 -1.20 0.28 0.00 0.00 0.00 178.83 177.87 2jgk h VAL 141 N -0.18 0.40 -0.11 2.39 2.07 -0.81 -3.35 116.25 116.67 2jgk h VAL 141 Ca -0.01 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.76 2jgk h VAL 141 Cb 0.15 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2jgk h VAL 141 CO 0.02 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 2jgk n GLU 142 N -2.87 2.18 -1.77 1.57 -0.58 -0.73 -4.98 120.64 113.46 2jgk n GLU 142 Ca -0.06 -1.50 -0.18 0.00 -0.42 0.00 0.00 57.16 55.01 2jgk n GLU 142 Cb 0.75 -1.10 -0.06 0.00 -0.57 0.00 0.00 31.44 30.47 2jgk n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jgk n GLY 143 N -0.03 1.06 3.81 0.62 0.00 -0.39 -4.95 105.19 105.31 2jgk n GLY 143 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2jgk n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgk s ALA 144 N -2.61 3.19 -0.28 4.61 0.00 -1.11 -4.80 121.76 120.77 2jgk s ALA 144 Ca 0.00 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.17 2jgk s ALA 144 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2jgk s ALA 144 CO 0.00 0.20 0.48 0.08 0.00 0.00 0.00 175.76 176.51 2jgk s VAL 145 N -1.84 5.09 -0.05 0.00 1.01 -1.15 -4.02 120.40 119.45 2jgk s VAL 145 Ca 0.54 0.72 0.06 0.00 0.00 0.00 0.00 61.98 63.29 2jgk s VAL 145 Cb -0.14 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2jgk s VAL 145 CO 0.19 0.06 -0.21 -0.22 0.00 0.00 0.00 175.10 174.93 2jgk s LEU 146 N 2.26 2.34 -0.01 3.92 0.20 0.02 -0.66 118.68 126.75 2jgk s LEU 146 Ca 0.19 -0.37 0.03 0.00 0.69 0.00 0.00 54.13 54.67 2jgk s LEU 146 Cb -0.16 -1.44 -0.00 0.00 -0.43 0.00 0.00 46.19 44.16 2jgk s LEU 146 CO 0.10 0.30 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.69 2jgk s VAL 147 N -0.50 0.70 0.01 1.68 1.01 -0.23 -0.35 120.40 122.71 2jgk s VAL 147 Ca 0.07 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2jgk s VAL 147 Cb -0.11 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2jgk s VAL 147 CO 0.01 0.20 -0.04 -0.94 0.00 0.00 0.00 175.10 174.33 2jgk s SER 148 N -0.13 0.47 0.17 3.32 1.04 -0.82 -0.08 113.70 117.67 2jgk s SER 148 Ca 0.02 -0.23 0.11 0.00 0.48 0.00 0.00 55.95 56.33 2jgk s SER 148 Cb -0.04 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2jgk s SER 148 CO -0.00 -0.06 -0.24 0.00 0.98 0.00 0.00 173.24 173.91 2jgk s MET 149 N -0.59 1.45 0.25 4.02 0.23 -1.25 0.26 119.30 123.67 2jgk s MET 149 Ca -0.04 -1.45 -0.25 0.00 -1.03 0.00 0.00 55.69 52.92 2jgk s MET 149 Cb -0.04 -1.81 -0.09 0.00 -1.53 0.00 0.00 34.83 31.36 2jgk s MET 149 CO -0.00 0.40 0.86 -0.80 -2.03 0.00 0.00 175.02 173.45 2jgk s ASN 150 N -2.46 7.34 0.02 -1.18 0.01 -0.49 -4.56 114.94 113.63 2jgk s ASN 150 Ca 0.18 1.72 -0.00 0.00 -0.71 0.00 0.00 52.86 54.05 2jgk s ASN 150 Cb -0.08 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 2jgk s ASN 150 CO 0.08 0.05 -0.03 -0.72 -1.51 0.00 0.00 177.10 174.98 2jgk s TYR 151 N -1.42 0.30 0.24 2.20 1.13 -1.26 -4.59 117.35 113.95 2jgk s TYR 151 Ca 0.44 -0.61 -0.30 0.00 -1.41 0.00 0.00 57.07 55.19 2jgk s TYR 151 Cb -0.20 -0.22 -0.09 0.00 -1.10 0.00 0.00 41.96 40.35 2jgk s TYR 151 CO 0.25 -0.22 1.19 1.03 -2.51 0.00 0.00 175.55 175.29 2jgk s ARG 152 N -1.84 4.51 0.51 -3.49 0.52 -1.26 -4.87 118.95 113.02 2jgk s ARG 152 Ca -0.12 1.92 0.03 0.00 -0.52 0.00 0.00 55.73 57.03 2jgk s ARG 152 Cb -0.07 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 2jgk s ARG 152 CO -0.02 -0.01 0.10 0.14 0.02 0.00 0.00 175.30 175.52 2jgk s VAL 153 N -0.59 1.36 0.00 3.52 -7.23 -1.26 -4.16 120.40 112.04 2jgk s VAL 153 Ca 0.50 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 2jgk s VAL 153 Cb -0.34 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2jgk s VAL 153 CO 0.41 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 2jgk n GLY 154 N -1.36 1.20 0.23 2.32 0.00 0.23 -1.69 105.19 106.12 2jgk n GLY 154 Ca -0.14 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 2jgk n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jgk h THR 155 N 0.00 1.16 -0.97 2.61 1.35 -1.89 0.40 112.91 115.58 2jgk h THR 155 Ca 0.00 -0.35 0.09 0.00 -0.55 0.00 0.00 66.41 65.59 2jgk h THR 155 Cb 0.00 0.40 -0.07 0.00 -1.73 0.00 0.00 68.15 66.75 2jgk h THR 155 CO 0.00 0.16 0.62 -0.26 -0.25 0.00 0.00 175.52 175.80 2jgk h PHE 156 N 0.74 1.12 0.09 4.73 0.04 -1.91 -0.77 116.94 120.98 2jgk h PHE 156 Ca 0.20 0.03 -0.28 0.00 2.80 0.00 0.00 57.97 60.72 2jgk h PHE 156 Cb -0.03 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.75 2jgk h PHE 156 CO -0.03 0.53 -1.39 0.78 -0.60 0.00 0.00 178.31 177.60 2jgk h GLY 157 N 1.05 0.22 0.00 -1.45 0.00 -0.37 -3.37 103.07 99.15 2jgk h GLY 157 Ca 0.44 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2jgk h GLY 157 CO -0.19 0.49 0.00 0.69 0.00 0.00 0.00 176.54 177.52 2jgk n PHE 158 N -3.42 0.00 -1.83 5.60 3.72 0.13 -1.41 117.46 120.25 2jgk n PHE 158 Ca -0.12 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 2jgk n PHE 158 Cb 1.02 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.53 2jgk n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jgk s LEU 159 N -0.22 4.38 -0.02 4.37 0.20 -0.34 -4.55 118.68 122.50 2jgk s LEU 159 Ca 0.00 2.65 0.01 0.00 0.69 0.00 0.00 54.13 57.48 2jgk s LEU 159 Cb 0.00 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.20 2jgk s LEU 159 CO 0.00 -0.92 -0.01 0.00 -0.29 0.00 0.00 176.35 175.13 2jgk s ALA 160 N 2.15 0.28 -0.92 5.97 0.00 -1.26 -4.42 121.76 123.55 2jgk s ALA 160 Ca 0.75 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 2jgk s ALA 160 Cb -0.44 -0.21 0.23 0.00 0.00 0.00 0.00 23.12 22.70 2jgk s ALA 160 CO 0.33 -0.02 0.82 -0.51 0.00 0.00 0.00 175.76 176.39 2jgk s LEU 161 N 0.58 5.73 0.23 0.00 1.43 -0.18 -4.02 118.68 122.47 2jgk s LEU 161 Ca -0.06 -3.60 -0.31 0.00 -1.03 0.00 0.00 54.13 49.13 2jgk s LEU 161 Cb -0.09 -1.98 -0.13 0.00 0.03 0.00 0.00 46.19 44.02 2jgk s LEU 161 CO -0.01 -0.23 1.44 -2.65 0.23 0.00 0.00 176.35 175.13 2jgk n PRO 162 N 2.55 2.08 0.00 1.29 -0.02 -1.26 -1.29 135.00 138.35 2jgk n PRO 162 Ca 0.21 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2jgk n PRO 162 Cb 0.38 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2jgk n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgk n GLY 163 N 2.30 1.01 3.87 -1.23 0.00 -1.26 -5.06 105.19 104.82 2jgk n GLY 163 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2jgk n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jgk s SER 164 N -2.08 6.41 0.16 1.61 1.04 -0.41 -4.99 113.70 115.44 2jgk s SER 164 Ca 0.00 1.25 -0.06 0.00 0.48 0.00 0.00 55.95 57.62 2jgk s SER 164 Cb 0.00 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.75 2jgk s SER 164 CO 0.00 -0.59 1.43 -0.09 0.98 0.00 0.00 173.24 174.96 2jgk h ARG 165 N 0.57 0.59 0.00 4.02 2.43 -1.97 -3.35 114.38 116.66 2jgk h ARG 165 Ca -0.46 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.27 2jgk h ARG 165 Cb 1.19 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2jgk h ARG 165 CO 0.62 1.05 -1.05 0.39 -1.51 0.00 0.00 179.97 179.48 2jgk n GLU 166 N -3.92 0.58 -3.08 0.20 4.71 -1.26 -4.43 120.64 113.45 2jgk n GLU 166 Ca -0.05 0.09 -0.18 0.00 -0.01 0.00 0.00 57.16 57.02 2jgk n GLU 166 Cb 0.67 -1.79 -0.04 0.00 -1.01 0.00 0.00 31.44 29.28 2jgk n GLU 166 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jgk n ALA 167 N -2.15 1.01 0.50 0.62 0.00 -1.26 -4.23 120.51 114.99 2jgk n ALA 167 Ca -0.00 -2.51 0.12 0.00 0.00 0.00 0.00 53.44 51.04 2jgk n ALA 167 Cb 0.54 -1.02 0.45 0.00 0.00 0.00 0.00 19.45 19.42 2jgk n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jgk n PRO 168 N 2.05 0.17 0.00 0.00 -0.04 -1.26 -1.01 135.00 134.92 2jgk n PRO 168 Ca 0.20 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2jgk n PRO 168 Cb 0.54 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2jgk n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jgk n GLY 169 N 0.38 0.48 2.51 0.55 0.00 -1.26 -4.59 105.19 103.26 2jgk n GLY 169 Ca 0.03 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.15 2jgk n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jgk n ASN 170 N -0.70 -4.39 0.27 1.61 3.02 -1.26 -4.84 115.26 108.96 2jgk n ASN 170 Ca 0.00 0.19 0.11 0.00 -0.03 0.00 0.00 54.58 54.85 2jgk n ASN 170 Cb 0.00 -3.27 0.75 0.00 -0.61 0.00 0.00 39.78 36.65 2jgk n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jgk h VAL 171 N 0.00 0.75 -0.36 2.41 -1.51 -1.87 0.21 116.25 115.88 2jgk h VAL 171 Ca -0.15 -0.20 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 2jgk h VAL 171 Cb 0.89 1.12 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 2jgk h VAL 171 CO 0.22 0.05 0.19 1.23 -1.23 0.00 0.00 177.57 178.03 2jgk h GLY 172 N 0.24 0.55 1.34 5.19 0.00 -1.45 0.14 103.07 109.07 2jgk h GLY 172 Ca -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2jgk h GLY 172 CO 0.01 0.25 0.41 1.41 0.00 0.00 0.00 176.54 178.61 2jgk h LEU 173 N 0.45 0.77 -1.20 3.11 3.38 -1.31 -2.05 115.31 118.48 2jgk h LEU 173 Ca 0.13 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2jgk h LEU 173 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2jgk h LEU 173 CO -0.02 0.59 -0.31 -0.07 0.09 0.00 0.00 178.44 178.72 2jgk h LEU 174 N 0.90 0.00 -0.30 1.67 3.38 -0.22 -0.35 115.31 120.39 2jgk h LEU 174 Ca 0.24 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 2jgk h LEU 174 Cb -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2jgk h LEU 174 CO -0.05 0.31 -0.28 0.44 0.09 0.00 0.00 178.44 178.96 2jgk h ASP 175 N 0.00 0.76 -0.83 -0.43 3.32 -0.23 -2.24 116.42 116.78 2jgk h ASP 175 Ca -0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2jgk h ASP 175 Cb 0.74 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 2jgk h ASP 175 CO 0.04 1.07 0.52 1.56 -1.72 0.00 0.00 179.24 180.71 2jgk h GLN 176 N 0.47 1.11 -0.39 3.56 4.20 -0.87 -2.37 115.11 120.82 2jgk h GLN 176 Ca 0.05 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2jgk h GLN 176 Cb 0.85 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2jgk h GLN 176 CO 0.07 0.76 0.02 -0.09 -0.67 0.00 0.00 178.83 178.92 2jgk h ARG 177 N 1.13 0.66 -0.37 1.46 2.43 -0.97 -2.11 114.38 116.61 2jgk h ARG 177 Ca 0.30 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2jgk h ARG 177 Cb -0.09 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2jgk h ARG 177 CO -0.06 0.75 0.25 1.25 -1.51 0.00 0.00 179.97 180.65 2jgk h LEU 178 N 0.50 0.28 -0.32 3.80 5.85 -1.13 0.13 115.31 124.41 2jgk h LEU 178 Ca 0.11 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 2jgk h LEU 178 Cb 0.43 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2jgk h LEU 178 CO 0.02 0.19 -0.62 0.00 -0.34 0.00 0.00 178.44 177.69 2jgk h ALA 179 N 1.79 0.49 -0.64 1.25 0.00 -0.91 0.45 119.26 121.69 2jgk h ALA 179 Ca 0.16 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2jgk h ALA 179 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2jgk h ALA 179 CO -0.03 0.69 0.20 -0.07 0.00 0.00 0.00 179.25 180.03 2jgk h LEU 180 N 0.55 0.90 0.04 0.00 3.38 -0.62 0.14 115.31 119.71 2jgk h LEU 180 Ca -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jgk h LEU 180 Cb 1.22 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2jgk h LEU 180 CO 0.13 0.85 -0.02 1.56 0.09 0.00 0.00 178.44 181.05 2jgk h GLN 181 N 0.94 -0.05 -0.76 1.13 4.20 -0.70 -1.16 115.11 118.71 2jgk h GLN 181 Ca 0.21 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.09 2jgk h GLN 181 Cb 0.27 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.96 2jgk h GLN 181 CO -0.01 0.08 0.24 2.35 -0.67 0.00 0.00 178.83 180.82 2jgk h TRP 182 N -0.17 0.39 0.34 2.96 7.01 -0.58 -1.42 115.95 124.48 2jgk h TRP 182 Ca -0.01 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2jgk h TRP 182 Cb 0.15 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 2jgk h TRP 182 CO -0.04 -0.04 -0.30 0.28 -2.79 0.00 0.00 178.44 175.55 2jgk h VAL 183 N 0.33 0.37 -0.62 2.65 2.07 -0.06 -0.73 116.25 120.27 2jgk h VAL 183 Ca 0.43 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.07 2jgk h VAL 183 Cb 0.73 0.37 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 2jgk h VAL 183 CO -0.48 0.00 -0.24 1.56 0.02 0.00 0.00 177.57 178.43 2jgk h GLN 184 N -0.66 -0.08 -0.04 1.57 1.08 -0.46 0.16 115.11 116.69 2jgk h GLN 184 Ca -0.02 0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 2jgk h GLN 184 Cb 0.58 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2jgk h GLN 184 CO -0.03 -0.05 -0.66 1.49 -0.95 0.00 0.00 178.83 178.63 2jgk h GLU 185 N -0.08 0.17 0.00 1.46 4.81 -1.08 -3.39 114.58 116.47 2jgk h GLU 185 Ca 0.28 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2jgk h GLU 185 Cb 0.52 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2jgk h GLU 185 CO -0.67 0.76 -1.15 0.09 -0.73 0.00 0.00 179.01 177.31 2jgk n ASN 186 N -3.81 4.31 -0.15 1.04 3.02 -0.30 -4.72 115.26 114.65 2jgk n ASN 186 Ca -0.02 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.59 2jgk n ASN 186 Cb 0.65 1.02 0.37 0.00 -0.61 0.00 0.00 39.78 41.20 2jgk n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jgk h ILE 187 N 0.00 1.04 -1.06 2.41 6.09 -0.83 -0.54 117.51 124.61 2jgk h ILE 187 Ca -0.02 -0.25 0.29 0.00 -1.37 0.00 0.00 64.86 63.52 2jgk h ILE 187 Cb 0.36 0.25 -0.11 0.00 0.47 0.00 0.00 36.82 37.79 2jgk h ILE 187 CO 0.00 0.13 0.67 0.00 -3.07 0.00 0.00 178.15 175.88 2jgk h ALA 188 N 1.63 2.17 0.00 0.18 0.00 -1.79 0.21 119.26 121.66 2jgk h ALA 188 Ca 0.28 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2jgk h ALA 188 Cb 0.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2jgk h ALA 188 CO -0.09 -0.64 0.15 0.00 0.00 0.00 0.00 179.25 178.67 2jgk h ALA 189 N 1.67 1.14 -0.31 0.00 0.00 -1.40 0.25 119.26 120.60 2jgk h ALA 189 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2jgk h ALA 189 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2jgk h ALA 189 CO -0.39 -0.14 0.00 1.19 0.00 0.00 0.00 179.25 179.91 2jgk n PHE 190 N -2.71 0.42 -1.50 0.00 3.01 0.68 -4.88 117.46 112.48 2jgk n PHE 190 Ca -0.02 -0.47 0.00 0.00 1.01 0.00 0.00 57.45 57.97 2jgk n PHE 190 Cb 0.20 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2jgk n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgk n GLY 191 N 0.47 0.66 3.88 1.37 0.00 0.89 -4.61 105.19 107.86 2jgk n GLY 191 Ca 0.11 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 2jgk n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jgk s GLY 192 N -2.80 2.27 -0.58 -0.02 0.00 -0.80 -1.56 107.32 103.83 2jgk s GLY 192 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 44.72 44.00 2jgk s GLY 192 CO 0.00 -0.37 0.74 -0.35 0.00 0.00 0.00 173.10 173.13 2jgk s ASP 193 N -1.98 6.20 0.00 1.64 -1.08 0.66 -3.30 116.67 118.81 2jgk s ASP 193 Ca 0.34 -1.14 0.07 0.00 -0.52 0.00 0.00 52.55 51.30 2jgk s ASP 193 Cb -0.13 -2.33 0.43 0.00 -1.46 0.00 0.00 42.92 39.44 2jgk s ASP 193 CO 0.20 -1.12 0.85 -2.65 0.52 0.00 0.00 175.17 172.97 2jgk n PRO 194 N 6.60 0.29 -0.09 4.34 -0.02 -1.26 -0.98 135.00 143.88 2jgk n PRO 194 Ca -0.07 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.48 2jgk n PRO 194 Cb 0.44 -1.39 0.11 0.00 -0.02 0.00 0.00 33.50 32.64 2jgk n PRO 194 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2jgk n MET 195 N -0.89 1.72 -3.37 -0.52 2.81 -1.26 -4.64 117.12 110.98 2jgk n MET 195 Ca 0.05 -1.67 -0.26 0.00 -1.81 0.00 0.00 57.70 54.01 2jgk n MET 195 Cb 0.02 -1.28 -0.09 0.00 -0.71 0.00 0.00 33.22 31.16 2jgk n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jgk n SER 196 N 0.73 -0.05 -4.14 7.83 2.88 -0.15 -4.94 113.62 115.78 2jgk n SER 196 Ca 0.10 -2.52 -0.34 0.00 -1.33 0.00 0.00 58.87 54.79 2jgk n SER 196 Cb 0.39 -0.59 -0.14 0.00 -0.75 0.00 0.00 64.21 63.12 2jgk n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jgk s VAL 197 N -0.37 2.73 -0.20 2.46 1.01 -1.26 -0.23 120.40 124.54 2jgk s VAL 197 Ca 0.33 -1.44 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 2jgk s VAL 197 Cb 0.07 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2jgk s VAL 197 CO -0.17 -0.06 0.12 -0.89 0.00 0.00 0.00 175.10 174.10 2jgk s THR 198 N 1.21 5.35 -0.02 3.92 2.01 -0.50 -0.61 115.64 127.01 2jgk s THR 198 Ca -0.06 0.17 -0.19 0.00 0.31 0.00 0.00 61.69 61.92 2jgk s THR 198 Cb -0.20 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2jgk s THR 198 CO -0.02 0.45 0.52 -0.76 -0.69 0.00 0.00 174.62 174.11 2jgk s LEU 199 N 0.34 4.42 0.02 4.42 1.43 -0.19 -0.79 118.68 128.33 2jgk s LEU 199 Ca 0.08 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2jgk s LEU 199 Cb -0.11 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 2jgk s LEU 199 CO -0.02 0.16 -0.05 0.72 0.23 0.00 0.00 176.35 177.39 2jgk s PHE 200 N -0.36 0.43 0.24 0.29 -0.71 0.70 0.22 117.98 118.79 2jgk s PHE 200 Ca 0.28 -0.42 -0.22 0.00 -1.04 0.00 0.00 56.93 55.53 2jgk s PHE 200 Cb -0.17 -0.27 0.06 0.00 -1.21 0.00 0.00 43.02 41.42 2jgk s PHE 200 CO 0.15 -0.11 0.90 0.20 -1.34 0.00 0.00 175.22 175.02 2jgk s GLY 201 N -1.24 0.01 -0.18 1.99 0.00 -1.03 -1.11 107.32 105.76 2jgk s GLY 201 Ca -0.10 -0.26 0.23 0.00 0.00 0.00 0.00 44.72 44.59 2jgk s GLY 201 CO -0.00 0.50 1.14 -2.21 0.00 0.00 0.00 173.10 172.53 2jgk n GLU 202 N -0.54 1.20 0.00 2.90 0.00 -1.21 -1.40 120.64 121.59 2jgk n GLU 202 Ca -0.05 -2.97 0.00 0.00 0.00 0.00 0.00 57.16 54.13 2jgk n GLU 202 Cb 0.60 -1.06 0.00 0.00 0.00 0.00 0.00 31.44 30.98 2jgk n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgk n ALA 204 N -0.30 0.00 0.02 4.31 0.00 -1.26 -3.06 120.51 120.22 2jgk n ALA 204 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 2jgk n ALA 204 Cb 0.90 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.52 2jgk n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jgk h GLY 205 N 0.00 0.52 1.34 0.00 0.00 -1.71 -0.16 103.07 103.06 2jgk h GLY 205 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 47.33 46.65 2jgk h GLY 205 CO 0.00 0.43 -0.77 0.00 0.00 0.00 0.00 176.54 176.20 2jgk h ALA 206 N 1.23 0.42 -0.91 3.60 0.00 -1.66 -2.04 119.26 119.90 2jgk h ALA 206 Ca 0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2jgk h ALA 206 Cb 0.78 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2jgk h ALA 206 CO 0.06 0.72 0.53 0.00 0.00 0.00 0.00 179.25 180.56 2jgk h ALA 207 N 0.70 1.17 -0.04 0.00 0.00 -1.76 -0.72 119.26 118.61 2jgk h ALA 207 Ca -0.05 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2jgk h ALA 207 Cb 1.38 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2jgk h ALA 207 CO 0.15 0.64 -0.13 0.77 0.00 0.00 0.00 179.25 180.69 2jgk h SER 208 N 1.27 -0.37 -0.52 0.00 0.02 -0.87 0.19 113.55 113.25 2jgk h SER 208 Ca 0.33 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.40 2jgk h SER 208 Cb -0.02 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2jgk h SER 208 CO -0.06 -0.17 0.23 0.58 -1.14 0.00 0.00 176.83 176.26 2jgk h VAL 209 N -0.19 0.88 -0.69 2.27 2.07 -0.80 -0.46 116.25 119.32 2jgk h VAL 209 Ca 0.06 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.52 2jgk h VAL 209 Cb 0.27 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 2jgk h VAL 209 CO -0.16 0.08 0.35 1.23 0.02 0.00 0.00 177.57 179.09 2jgk h GLY 210 N 0.44 1.03 1.99 2.17 0.00 -0.76 -1.65 103.07 106.29 2jgk h GLY 210 Ca 0.24 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 2jgk h GLY 210 CO -0.21 0.07 -0.46 -0.33 0.00 0.00 0.00 176.54 175.60 2jgk h MET 211 N 0.60 0.01 -0.51 4.80 2.86 0.56 -2.04 114.93 121.22 2jgk h MET 211 Ca 0.34 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.87 2jgk h MET 211 Cb 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2jgk h MET 211 CO -0.26 0.47 -0.08 0.45 1.06 0.00 0.00 176.91 178.55 2jgk h HIS 212 N 0.01 1.03 -0.54 -0.22 3.86 -0.72 0.07 115.15 118.63 2jgk h HIS 212 Ca -0.00 -0.19 0.09 0.00 -1.16 0.00 0.00 60.37 59.10 2jgk h HIS 212 Cb 0.82 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 2jgk h HIS 212 CO 0.00 0.96 0.36 0.82 0.86 0.00 0.00 177.93 180.94 2jgk h ILE 213 N 0.84 0.90 -0.02 2.45 2.04 -0.63 -2.55 117.51 120.54 2jgk h ILE 213 Ca 0.14 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2jgk h ILE 213 Cb 0.61 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2jgk h ILE 213 CO 0.04 0.06 -0.26 0.18 0.00 0.00 0.00 178.15 178.17 2jgk n LEU 214 N -4.47 2.05 -4.27 1.44 4.77 -0.73 -4.81 117.00 110.98 2jgk n LEU 214 Ca 0.08 -0.71 -0.37 0.00 -0.03 0.00 0.00 56.01 54.99 2jgk n LEU 214 Cb 0.36 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 2jgk n LEU 214 CO 0.34 0.36 -0.30 -0.55 -1.33 0.00 0.00 177.39 175.92 2jgk s SER 215 N -2.30 5.05 0.17 -1.43 0.15 -0.07 -4.81 113.70 110.45 2jgk s SER 215 Ca 0.24 -0.97 -0.18 0.00 0.70 0.00 0.00 55.95 55.74 2jgk s SER 215 Cb 0.19 -1.82 0.10 0.00 -1.71 0.00 0.00 66.02 62.78 2jgk s SER 215 CO 0.47 -0.24 1.65 0.25 1.20 0.00 0.00 173.24 176.57 2jgk h LEU 216 N 8.16 -0.48 -2.13 3.45 5.85 -1.85 0.93 115.31 129.25 2jgk h LEU 216 Ca -0.27 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2jgk h LEU 216 Cb 1.10 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 2jgk h LEU 216 CO 0.59 -0.17 0.18 -0.65 -0.34 0.00 0.00 178.44 178.05 2jgk h PRO 217 N -0.05 0.00 0.00 5.25 0.11 -1.95 -1.13 132.00 134.23 2jgk h PRO 217 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2jgk h PRO 217 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2jgk h PRO 217 CO -0.44 0.00 -0.42 0.77 -0.21 0.00 0.00 178.00 177.70 2jgk h SER 218 N 0.00 0.00 -0.34 -2.05 0.02 -1.10 -3.33 113.55 106.75 2jgk h SER 218 Ca 0.10 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2jgk h SER 218 Cb 0.47 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2jgk h SER 218 CO -0.00 0.01 0.22 0.03 -1.14 0.00 0.00 176.83 175.95 2jgk h ARG 219 N 0.00 0.42 0.00 3.45 2.47 -0.57 -2.68 114.38 117.48 2jgk h ARG 219 Ca 0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2jgk h ARG 219 Cb 0.96 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2jgk h ARG 219 CO 0.00 0.28 0.00 -1.13 0.56 0.00 0.00 179.97 179.68 2jgk n SER 220 N -4.49 0.00 -0.52 7.04 3.41 -1.25 -3.68 113.62 114.13 2jgk n SER 220 Ca 0.02 -1.23 0.06 0.00 -0.26 0.00 0.00 58.87 57.46 2jgk n SER 220 Cb 0.08 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2jgk n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgk n LEU 221 N -0.85 2.17 -3.85 1.04 4.77 -1.01 -5.01 117.00 114.25 2jgk n LEU 221 Ca 0.16 -1.15 -0.07 0.00 -0.03 0.00 0.00 56.01 54.92 2jgk n LEU 221 Cb 0.07 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2jgk n LEU 221 CO 0.12 0.43 0.49 0.72 -1.33 0.00 0.00 177.39 177.83 2jgk s PHE 222 N -1.01 -0.16 0.00 -1.77 -0.71 -1.24 -4.92 117.98 108.17 2jgk s PHE 222 Ca 0.16 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 2jgk s PHE 222 Cb 0.11 0.72 0.00 0.00 -1.21 0.00 0.00 43.02 42.63 2jgk s PHE 222 CO 0.16 -1.24 0.00 0.72 -1.34 0.00 0.00 175.22 173.52 2jgk n HIS 223 N -0.47 0.00 -4.34 3.49 8.25 0.22 -4.97 115.22 117.40 2jgk n HIS 223 Ca -0.04 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.24 2jgk n HIS 223 Cb 0.59 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 2jgk n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jgk s ARG 224 N -1.74 1.32 -0.02 -0.41 0.52 -1.16 -4.44 118.95 113.02 2jgk s ARG 224 Ca 0.00 -1.62 -0.08 0.00 -0.52 0.00 0.00 55.73 53.51 2jgk s ARG 224 Cb 0.00 -0.93 0.01 0.00 0.52 0.00 0.00 34.95 34.55 2jgk s ARG 224 CO 0.00 0.08 0.17 0.00 0.02 0.00 0.00 175.30 175.57 2jgk s ALA 225 N -3.14 -0.42 -0.11 2.13 0.00 -1.08 -1.02 121.76 118.11 2jgk s ALA 225 Ca 0.24 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2jgk s ALA 225 Cb 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2jgk s ALA 225 CO 0.07 -0.18 -0.11 0.08 0.00 0.00 0.00 175.76 175.62 2jgk s VAL 226 N -0.91 1.25 -0.31 0.00 1.01 0.13 -1.59 120.40 119.98 2jgk s VAL 226 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2jgk s VAL 226 Cb -0.05 -1.20 0.07 0.00 0.00 0.00 0.00 36.38 35.19 2jgk s VAL 226 CO 0.01 0.40 0.00 -0.76 0.00 0.00 0.00 175.10 174.76 2jgk s LEU 227 N 1.40 4.08 -0.37 3.92 1.02 0.30 -2.46 118.68 126.58 2jgk s LEU 227 Ca 0.01 -1.55 -0.13 0.00 0.02 0.00 0.00 54.13 52.48 2jgk s LEU 227 Cb -0.13 -1.67 0.00 0.00 0.02 0.00 0.00 46.19 44.41 2jgk s LEU 227 CO -0.06 -0.30 0.26 -1.10 0.02 0.00 0.00 176.35 175.17 2jgk s GLN 228 N 1.14 3.24 -1.39 1.70 -0.21 -0.49 -2.50 119.66 121.15 2jgk s GLN 228 Ca -0.02 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.47 2jgk s GLN 228 Cb -0.20 -3.86 0.03 0.00 1.00 0.00 0.00 33.01 29.99 2jgk s GLN 228 CO -0.04 -0.58 0.90 0.43 -2.12 0.00 0.00 175.29 173.89 2jgk n SER 229 N 5.11 -3.36 -3.59 5.90 7.64 0.10 -4.16 113.62 121.27 2jgk n SER 229 Ca -0.12 -0.75 -0.06 0.00 1.01 0.00 0.00 58.87 58.95 2jgk n SER 229 Cb 0.48 -4.22 -0.02 0.00 -1.01 0.00 0.00 64.21 59.45 2jgk n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jgk s GLY 230 N -3.82 -0.38 0.02 0.23 0.00 -1.26 -4.79 107.32 97.32 2jgk s GLY 230 Ca 0.34 0.75 -0.21 0.00 0.00 0.00 0.00 44.72 45.59 2jgk s GLY 230 CO 0.80 0.23 0.48 -0.51 0.00 0.00 0.00 173.10 174.11 2jgk s THR 231 N -3.10 0.04 0.19 0.90 -4.23 -1.26 -4.55 115.64 103.62 2jgk s THR 231 Ca 0.08 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 2jgk s THR 231 Cb -0.01 -0.92 -0.11 0.00 1.34 0.00 0.00 72.50 72.81 2jgk s THR 231 CO -0.05 -0.16 1.44 1.55 -0.54 0.00 0.00 174.62 176.86 2jgk h PRO 232 N 3.04 0.29 -7.43 3.99 0.13 -1.84 -3.41 132.00 126.78 2jgk h PRO 232 Ca -0.30 -0.25 -0.45 0.00 -0.87 0.00 0.00 66.00 64.13 2jgk h PRO 232 Cb 1.19 0.06 0.15 0.00 0.13 0.00 0.00 31.00 32.53 2jgk h PRO 232 CO 0.41 0.92 0.23 0.54 -0.23 0.00 0.00 178.00 179.87 2jgk s ASN 233 N -6.94 2.76 0.00 1.44 4.22 -1.26 -4.56 114.94 110.60 2jgk s ASN 233 Ca -0.04 1.00 0.00 0.00 -2.14 0.00 0.00 52.86 51.67 2jgk s ASN 233 Cb 0.11 -1.56 0.00 0.00 1.28 0.00 0.00 41.25 41.08 2jgk s ASN 233 CO 0.83 -3.02 0.00 0.61 -2.04 0.00 0.00 177.10 173.47 2jgk n GLY 234 N -1.60 1.56 0.07 0.45 0.00 -1.26 -4.73 105.19 99.68 2jgk n GLY 234 Ca 0.07 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.10 2jgk n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jgk n PRO 235 N 0.45 0.13 0.00 1.61 -0.04 -1.26 -4.07 135.00 131.81 2jgk n PRO 235 Ca 0.00 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2jgk n PRO 235 Cb 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2jgk n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jgk n TRP 236 N -1.94 0.00 0.46 0.54 4.27 -1.26 -4.76 117.44 114.75 2jgk n TRP 236 Ca 0.04 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.78 2jgk n TRP 236 Cb 0.28 0.00 0.27 0.00 -1.36 0.00 0.00 31.31 30.51 2jgk n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jgk h ALA 237 N 0.00 0.91 -2.55 -1.67 0.00 -1.83 -3.48 119.26 110.64 2jgk h ALA 237 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2jgk h ALA 237 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 2jgk h ALA 237 CO 0.00 0.00 -0.62 0.95 0.00 0.00 0.00 179.25 179.58 2jgk s THR 238 N -3.16 0.10 0.02 0.00 -4.23 -1.26 -3.52 115.64 103.59 2jgk s THR 238 Ca 0.08 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.61 2jgk s THR 238 Cb 0.10 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 2jgk s THR 238 CO 0.65 0.00 -0.07 0.68 -0.54 0.00 0.00 174.62 175.34 2jgk s VAL 239 N -4.07 0.49 0.59 2.29 -7.23 -0.19 -4.94 120.40 107.35 2jgk s VAL 239 Ca 0.39 -0.63 -0.20 0.00 -1.81 0.00 0.00 61.98 59.72 2jgk s VAL 239 Cb 0.07 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.49 2jgk s VAL 239 CO 0.13 -0.11 1.34 -0.94 -0.31 0.00 0.00 175.10 175.21 2jgk s SER 240 N -0.81 4.95 0.27 4.85 1.04 -1.26 -1.13 113.70 121.60 2jgk s SER 240 Ca -0.03 2.73 -0.01 0.00 0.48 0.00 0.00 55.95 59.12 2jgk s SER 240 Cb -0.06 -2.63 0.58 0.00 0.10 0.00 0.00 66.02 64.01 2jgk s SER 240 CO 0.00 -1.79 1.71 0.00 0.98 0.00 0.00 173.24 174.15 2jgk h ALA 241 N 1.05 1.22 -0.36 5.32 0.00 -1.95 -1.02 119.26 123.52 2jgk h ALA 241 Ca -0.51 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2jgk h ALA 241 Cb 1.32 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2jgk h ALA 241 CO 0.55 -0.27 -0.38 0.78 0.00 0.00 0.00 179.25 179.94 2jgk h GLY 242 N 0.42 0.94 0.75 0.00 0.00 -1.93 -1.95 103.07 101.30 2jgk h GLY 242 Ca 0.48 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 2jgk h GLY 242 CO -0.47 0.86 -0.05 -2.09 0.00 0.00 0.00 176.54 174.79 2jgk h GLU 243 N 0.71 0.29 -0.83 4.80 4.57 -1.80 0.25 114.58 122.57 2jgk h GLU 243 Ca 0.06 -0.12 0.15 0.00 -1.18 0.00 0.00 59.36 58.27 2jgk h GLU 243 Cb 0.95 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.47 2jgk h GLU 243 CO 0.09 0.60 0.54 0.00 -1.18 0.00 0.00 179.01 179.06 2jgk h ALA 244 N 0.68 1.96 -0.27 2.92 0.00 -1.13 0.89 119.26 124.30 2jgk h ALA 244 Ca 0.03 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2jgk h ALA 244 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jgk h ALA 244 CO 0.02 -0.18 -0.38 -0.09 0.00 0.00 0.00 179.25 178.62 2jgk h ARG 245 N 0.57 0.73 -0.06 0.00 2.43 -0.78 -2.20 114.38 115.07 2jgk h ARG 245 Ca 0.41 -0.43 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2jgk h ARG 245 Cb 0.78 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2jgk h ARG 245 CO -0.16 1.05 0.01 -0.09 -1.51 0.00 0.00 179.97 179.27 2jgk h ARG 246 N 0.47 0.03 -0.76 0.20 2.43 0.65 -2.20 114.38 115.20 2jgk h ARG 246 Ca 0.03 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2jgk h ARG 246 Cb 0.97 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 2jgk h ARG 246 CO 0.09 0.02 0.29 0.00 -1.51 0.00 0.00 179.97 178.86 2jgk h ARG 247 N 0.04 1.14 -0.25 0.20 3.08 -0.87 -1.04 114.38 116.69 2jgk h ARG 247 Ca 0.03 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 2jgk h ARG 247 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2jgk h ARG 247 CO -0.04 0.94 -0.37 0.00 -1.07 0.00 0.00 179.97 179.42 2jgk h ALA 248 N 1.20 0.89 -0.27 0.04 0.00 -1.28 -1.00 119.26 118.83 2jgk h ALA 248 Ca 0.25 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2jgk h ALA 248 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jgk h ALA 248 CO -0.02 0.63 -0.25 1.15 0.00 0.00 0.00 179.25 180.77 2jgk h THR 249 N 0.47 1.31 -0.37 0.00 2.02 -1.04 -0.60 112.91 114.69 2jgk h THR 249 Ca 0.05 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 2jgk h THR 249 Cb 0.86 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 2jgk h THR 249 CO 0.07 0.45 0.20 0.25 0.37 0.00 0.00 175.52 176.86 2jgk h LEU 250 N 0.38 0.46 -0.47 2.58 5.85 -1.05 -0.25 115.31 122.81 2jgk h LEU 250 Ca 0.05 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2jgk h LEU 250 Cb 0.80 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2jgk h LEU 250 CO 0.06 0.42 0.31 0.25 -0.34 0.00 0.00 178.44 179.15 2jgk h LEU 251 N 0.47 0.54 -0.43 2.25 6.46 -1.13 -1.26 115.31 122.22 2jgk h LEU 251 Ca 0.13 -0.01 0.09 0.00 -0.12 0.00 0.00 57.88 57.96 2jgk h LEU 251 Cb 0.07 -0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 39.78 2jgk h LEU 251 CO -0.02 0.39 -0.13 0.00 -0.62 0.00 0.00 178.44 178.06 2jgk h ALA 252 N 1.17 0.25 -0.36 1.25 0.00 -0.57 -1.05 119.26 119.96 2jgk h ALA 252 Ca 0.17 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2jgk h ALA 252 Cb -0.07 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2jgk h ALA 252 CO -0.04 -0.47 0.05 0.00 0.00 0.00 0.00 179.25 178.79 2jgk h ARG 253 N -0.03 0.16 -0.77 0.00 3.08 -0.71 -0.87 114.38 115.24 2jgk h ARG 253 Ca 0.21 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.37 2jgk h ARG 253 Cb 0.34 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 2jgk h ARG 253 CO -0.46 0.11 0.51 -0.07 -1.07 0.00 0.00 179.97 178.99 2jgk h LEU 254 N 0.17 0.52 -1.33 3.04 3.38 -0.00 0.11 115.31 121.19 2jgk h LEU 254 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2jgk h LEU 254 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2jgk h LEU 254 CO -0.24 0.29 -0.07 1.33 0.09 0.00 0.00 178.44 179.83 2jgk n VAL 255 N -4.50 0.00 -0.20 1.22 0.24 -0.87 -4.98 118.33 109.24 2jgk n VAL 255 Ca 0.14 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2jgk n VAL 255 Cb 0.43 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 2jgk n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgk n GLY 256 N 1.29 0.90 2.20 7.63 0.00 0.38 -5.08 105.19 112.51 2jgk n GLY 256 Ca 0.15 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 2jgk n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgk n ASN 265 N -1.67 -0.92 -0.21 0.00 2.85 -1.26 -4.78 115.26 109.27 2jgk n ASN 265 Ca -0.01 0.70 -0.08 0.00 -0.11 0.00 0.00 54.58 55.08 2jgk n ASN 265 Cb 0.37 -1.06 0.05 0.00 1.24 0.00 0.00 39.78 40.39 2jgk n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2jgk h ASP 266 N 3.78 1.03 -0.18 1.20 3.32 -2.00 -3.23 116.42 120.34 2jgk h ASP 266 Ca 0.00 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 56.84 2jgk h ASP 266 Cb 0.00 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.22 2jgk h ASP 266 CO 0.00 1.05 -0.20 0.74 -1.72 0.00 0.00 179.24 179.11 2jgk h THR 267 N 0.98 0.48 -0.95 0.35 2.02 -2.02 -1.38 112.91 112.40 2jgk h THR 267 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.46 2jgk h THR 267 Cb 0.49 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.31 2jgk h THR 267 CO 0.02 0.00 0.61 -0.08 0.37 0.00 0.00 175.52 176.44 2jgk h GLU 268 N -0.23 0.95 0.58 6.66 4.81 -1.99 -0.07 114.58 125.29 2jgk h GLU 268 Ca 0.12 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2jgk h GLU 268 Cb 0.40 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.57 2jgk h GLU 268 CO -0.31 0.63 -0.28 1.25 -0.73 0.00 0.00 179.01 179.57 2jgk h LEU 269 N 0.98 -0.66 -1.14 1.64 5.85 -1.33 -2.34 115.31 118.32 2jgk h LEU 269 Ca 0.44 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2jgk h LEU 269 Cb 0.38 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2jgk h LEU 269 CO -0.20 -0.27 0.52 0.40 -0.34 0.00 0.00 178.44 178.56 2jgk h ILE 270 N -1.13 1.22 -0.46 4.05 2.04 -1.28 -0.70 117.51 121.25 2jgk h ILE 270 Ca -0.08 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.41 2jgk h ILE 270 Cb 0.64 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2jgk h ILE 270 CO 0.13 0.22 0.10 0.00 0.00 0.00 0.00 178.15 178.60 2jgk h ALA 271 N 1.45 0.51 0.80 1.87 0.00 -1.01 0.12 119.26 123.00 2jgk h ALA 271 Ca 0.30 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 2jgk h ALA 271 Cb -0.09 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jgk h ALA 271 CO -0.06 -0.31 -0.44 0.00 0.00 0.00 0.00 179.25 178.44 2jgk h LEU 273 N -1.15 -0.42 -1.59 0.00 3.38 -0.72 0.27 115.31 115.07 2jgk h LEU 273 Ca -0.11 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jgk h LEU 273 Cb 0.91 0.46 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2jgk h LEU 273 CO 0.14 -0.33 0.00 0.03 0.09 0.00 0.00 178.44 178.37 2jgk h ARG 274 N 0.03 0.00 -0.01 1.13 3.08 -0.43 -0.10 114.38 118.07 2jgk h ARG 274 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.64 2jgk h ARG 274 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2jgk h ARG 274 CO -0.88 0.00 -0.36 0.25 -1.07 0.00 0.00 179.97 177.91 2jgk n THR 275 N -2.59 0.00 -2.75 2.04 -2.24 0.94 -4.88 114.28 104.82 2jgk n THR 275 Ca -0.00 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 2jgk n THR 275 Cb 0.14 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 2jgk n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jgk s ARG 276 N -2.43 4.82 0.62 -0.78 1.81 -0.05 -5.04 118.95 117.90 2jgk s ARG 276 Ca 0.22 1.48 -0.19 0.00 -1.72 0.00 0.00 55.73 55.52 2jgk s ARG 276 Cb 0.19 -3.22 -0.02 0.00 -0.45 0.00 0.00 34.95 31.44 2jgk s ARG 276 CO 0.53 0.48 1.30 -2.14 -0.68 0.00 0.00 175.30 174.79 2jgk s PRO 277 N -1.28 2.73 0.13 3.54 0.02 -1.26 -4.91 135.00 133.97 2jgk s PRO 277 Ca 0.42 2.08 -0.26 0.00 0.02 0.00 0.00 61.00 63.26 2jgk s PRO 277 Cb -0.25 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 2jgk s PRO 277 CO 0.31 -1.46 1.61 0.00 -0.33 0.00 0.00 177.00 177.13 2jgk h ALA 278 N 0.79 -0.38 -0.96 -1.55 0.00 -1.96 -2.46 119.26 112.75 2jgk h ALA 278 Ca -0.51 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.50 2jgk h ALA 278 Cb 1.33 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 2jgk h ALA 278 CO 0.54 -0.80 0.61 0.37 0.00 0.00 0.00 179.25 179.98 2jgk h GLN 279 N -0.40 1.04 -0.66 0.00 5.75 -1.99 -0.83 115.11 118.03 2jgk h GLN 279 Ca 0.09 -0.06 0.14 0.00 -0.15 0.00 0.00 58.65 58.67 2jgk h GLN 279 Cb 0.54 -0.24 -0.12 0.00 1.07 0.00 0.00 27.48 28.73 2jgk h GLN 279 CO -0.34 0.69 -0.10 0.22 -2.65 0.00 0.00 178.83 176.65 2jgk h ASP 280 N 1.08 -0.50 -0.35 -0.69 -0.00 -1.82 0.37 116.42 114.52 2jgk h ASP 280 Ca 0.43 0.19 -0.06 0.00 -0.00 0.00 0.00 57.03 57.59 2jgk h ASP 280 Cb 0.24 0.37 -0.01 0.00 -0.00 0.00 0.00 39.33 39.93 2jgk h ASP 280 CO -0.20 -0.19 -0.01 -0.07 -0.00 0.00 0.00 179.24 178.77 2jgk h LEU 281 N 0.04 0.61 -1.23 2.28 3.38 -1.04 -2.91 115.31 116.43 2jgk h LEU 281 Ca 0.33 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jgk h LEU 281 Cb 0.53 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2jgk h LEU 281 CO -0.64 0.77 0.40 0.58 0.09 0.00 0.00 178.44 179.63 2jgk h VAL 282 N 0.42 1.19 0.00 1.22 2.07 -0.59 -1.50 116.25 119.07 2jgk h VAL 282 Ca 0.10 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2jgk h VAL 282 Cb 0.47 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2jgk h VAL 282 CO 0.02 0.21 0.00 0.44 0.02 0.00 0.00 177.57 178.26 2jgk h ASP 283 N 0.93 0.00 0.00 0.57 3.32 -0.11 -3.02 116.42 118.11 2jgk h ASP 283 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2jgk h ASP 283 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2jgk h ASP 283 CO -0.04 0.00 -0.45 1.41 -1.72 0.00 0.00 179.24 178.43 2jgk n HIS 284 N -2.97 0.00 0.31 4.55 8.25 -0.63 -4.67 115.22 120.06 2jgk n HIS 284 Ca -0.02 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.64 2jgk n HIS 284 Cb 0.14 -0.01 1.05 0.00 1.12 0.00 0.00 29.99 32.29 2jgk n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jgk h GLU 285 N 0.00 0.00 0.00 -0.41 4.11 -1.26 0.10 114.58 117.12 2jgk h GLU 285 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 2jgk h GLU 285 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2jgk h GLU 285 CO 0.00 0.00 -0.74 -1.49 0.07 0.00 0.00 179.01 176.85 2jgk h TRP 286 N 0.00 0.00 0.00 2.06 4.06 -1.83 -3.33 115.95 116.91 2jgk h TRP 286 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2jgk h TRP 286 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 2jgk h TRP 286 CO 0.00 0.37 0.00 0.72 -3.56 0.00 0.00 178.44 175.97 2jgk n HIS 287 N -3.04 0.00 0.11 0.49 8.25 0.36 -3.69 115.22 117.70 2jgk n HIS 287 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 2jgk n HIS 287 Cb 0.70 -0.42 0.22 0.00 1.12 0.00 0.00 29.99 31.61 2jgk n HIS 287 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jgk h VAL 288 N 0.00 1.33 -3.37 1.59 2.07 -1.67 -3.29 116.25 112.90 2jgk h VAL 288 Ca 0.00 -1.60 -0.67 0.00 0.82 0.00 0.00 66.70 65.25 2jgk h VAL 288 Cb 0.33 1.77 -0.38 0.00 -1.52 0.00 0.00 31.29 31.48 2jgk h VAL 288 CO 0.00 0.47 -0.44 -0.76 0.02 0.00 0.00 177.57 176.87 2jgk s LEU 289 N -8.15 4.94 0.28 2.57 1.43 -1.24 -4.89 118.68 113.62 2jgk s LEU 289 Ca -0.04 -3.25 0.01 0.00 -1.03 0.00 0.00 54.13 49.83 2jgk s LEU 289 Cb 0.13 -1.76 0.60 0.00 0.03 0.00 0.00 46.19 45.20 2jgk s LEU 289 CO 0.77 -0.24 1.77 -0.65 0.23 0.00 0.00 176.35 178.23 2jgk h PRO 290 N 6.38 0.66 0.00 1.29 0.11 -1.81 -3.42 132.00 135.21 2jgk h PRO 290 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2jgk h PRO 290 Cb 0.87 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2jgk h PRO 290 CO 0.73 0.44 0.00 1.04 -0.21 0.00 0.00 178.00 179.99 2jgk n GLN 291 N -4.83 0.00 -2.13 1.05 6.02 -1.26 -4.77 117.38 111.46 2jgk n GLN 291 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 2jgk n GLN 291 Cb 0.48 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.72 2jgk n GLN 291 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jgk s GLU 292 N 0.00 3.93 -0.29 -1.09 2.02 -1.26 -4.90 118.70 117.10 2jgk s GLU 292 Ca 0.00 1.77 -0.16 0.00 0.02 0.00 0.00 54.97 56.60 2jgk s GLU 292 Cb 0.00 -3.99 0.15 0.00 0.10 0.00 0.00 34.13 30.39 2jgk s GLU 292 CO 0.00 -1.13 1.01 0.45 0.02 0.00 0.00 175.26 175.61 2jgk s SER 293 N 3.79 -0.45 0.02 -0.19 0.15 -1.26 -4.62 113.70 111.13 2jgk s SER 293 Ca 0.70 0.72 -0.25 0.00 0.70 0.00 0.00 55.95 57.82 2jgk s SER 293 Cb -0.26 1.19 -0.17 0.00 -1.71 0.00 0.00 66.02 65.07 2jgk s SER 293 CO 0.28 -0.11 1.34 0.40 1.20 0.00 0.00 173.24 176.35 2jgk h ILE 294 N 5.01 0.88 -0.83 6.45 2.04 -1.88 -3.14 117.51 126.04 2jgk h ILE 294 Ca -0.28 -0.59 -0.47 0.00 1.00 0.00 0.00 64.86 64.52 2jgk h ILE 294 Cb 1.19 1.23 -0.14 0.00 -0.74 0.00 0.00 36.82 38.35 2jgk h ILE 294 CO 0.20 0.13 0.53 0.49 0.00 0.00 0.00 178.15 179.50 2jgk n PHE 295 N -5.08 1.39 0.26 1.37 3.01 -1.26 -4.53 117.46 112.62 2jgk n PHE 295 Ca -0.09 -1.97 -0.05 0.00 1.01 0.00 0.00 57.45 56.35 2jgk n PHE 295 Cb 0.23 -1.50 0.09 0.00 -0.01 0.00 0.00 39.48 38.29 2jgk n PHE 295 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2jgk n ARG 296 N 1.37 1.76 -2.58 -1.08 1.85 -1.19 -4.91 116.66 111.88 2jgk n ARG 296 Ca 0.50 -1.07 -0.42 0.00 -1.00 0.00 0.00 57.85 55.85 2jgk n ARG 296 Cb 0.59 -1.53 -0.03 0.00 -1.05 0.00 0.00 32.46 30.44 2jgk n ARG 296 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2jgk s PHE 297 N -1.31 3.41 -0.13 2.89 -0.71 -1.26 -4.71 117.98 116.16 2jgk s PHE 297 Ca 0.20 1.44 0.18 0.00 -1.04 0.00 0.00 56.93 57.71 2jgk s PHE 297 Cb 0.16 -3.29 -0.16 0.00 -1.21 0.00 0.00 43.02 38.52 2jgk s PHE 297 CO 0.04 -0.71 0.70 0.43 -1.34 0.00 0.00 175.22 174.34 2jgk n SER 298 N 4.75 0.65 -4.02 1.98 7.64 -1.26 -4.66 113.62 118.70 2jgk n SER 298 Ca 0.09 0.28 -0.32 0.00 1.01 0.00 0.00 58.87 59.93 2jgk n SER 298 Cb 0.48 0.51 -0.13 0.00 -1.01 0.00 0.00 64.21 64.05 2jgk n SER 298 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2jgk s PHE 299 N -2.97 3.49 0.40 1.43 0.08 -1.26 -4.97 117.98 114.18 2jgk s PHE 299 Ca -0.04 -2.94 0.04 0.00 0.12 0.00 0.00 56.93 54.10 2jgk s PHE 299 Cb 0.09 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 2jgk s PHE 299 CO 0.82 -0.87 0.07 0.14 -0.10 0.00 0.00 175.22 175.29 2jgk s VAL 300 N 0.38 1.07 0.13 -0.44 -7.23 -1.26 -4.56 120.40 108.48 2jgk s VAL 300 Ca 0.14 -2.00 -0.35 0.00 -1.81 0.00 0.00 61.98 57.96 2jgk s VAL 300 Cb -0.22 -2.55 -0.16 0.00 0.56 0.00 0.00 36.38 34.01 2jgk s VAL 300 CO -0.04 0.00 1.28 -2.65 -0.31 0.00 0.00 175.10 173.38 2jgk n PRO 301 N -0.90 1.21 -3.86 4.82 -0.02 -1.23 -4.68 135.00 130.35 2jgk n PRO 301 Ca -0.07 0.44 -0.36 0.00 -2.02 0.00 0.00 63.50 61.49 2jgk n PRO 301 Cb 0.66 -2.03 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 2jgk n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jgk s VAL 302 N 0.22 5.39 -0.97 -1.45 0.11 -1.26 -1.02 120.40 121.42 2jgk s VAL 302 Ca 0.79 0.17 -0.24 0.00 -2.93 0.00 0.00 61.98 59.78 2jgk s VAL 302 Cb -0.90 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.57 2jgk s VAL 302 CO 0.49 0.55 1.71 -0.69 -3.33 0.00 0.00 175.10 173.82 2jgk s VAL 303 N -0.47 3.68 -2.76 2.04 1.01 -0.28 -4.63 120.40 118.99 2jgk s VAL 303 Ca 0.12 -0.59 0.24 0.00 0.00 0.00 0.00 61.98 61.75 2jgk s VAL 303 Cb -0.12 -4.53 0.30 0.00 0.00 0.00 0.00 36.38 32.03 2jgk s VAL 303 CO 0.02 -1.44 1.33 -0.90 0.00 0.00 0.00 175.10 174.11 2jgk n ASP 304 N 11.48 3.20 -0.35 3.32 5.75 -1.22 -3.90 116.55 134.82 2jgk n ASP 304 Ca 0.37 -1.99 -0.05 0.00 -0.01 0.00 0.00 54.79 53.11 2jgk n ASP 304 Cb 0.49 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 2jgk n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jgk n GLY 305 N 1.42 0.62 0.00 6.12 0.00 -0.38 -4.85 105.19 108.12 2jgk n GLY 305 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jgk n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgk n ASP 306 N -0.37 0.00 -0.06 1.61 2.03 -1.26 -4.58 116.55 113.91 2jgk n ASP 306 Ca -0.05 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.16 2jgk n ASP 306 Cb 0.34 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.70 2jgk n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jgk h PHE 307 N 0.00 0.30 -3.47 -0.67 3.04 -1.91 -3.34 116.94 110.89 2jgk h PHE 307 Ca 0.00 -0.01 -0.71 0.00 3.98 0.00 0.00 57.97 61.23 2jgk h PHE 307 Cb 0.00 -0.09 -0.30 0.00 2.56 0.00 0.00 35.95 38.12 2jgk h PHE 307 CO 0.00 0.31 -0.49 -0.51 -2.02 0.00 0.00 178.31 175.59 2jgk s LEU 308 N -9.93 5.12 0.59 0.59 1.43 -1.26 -4.53 118.68 110.69 2jgk s LEU 308 Ca -0.13 -1.62 0.34 0.00 -1.03 0.00 0.00 54.13 51.68 2jgk s LEU 308 Cb 0.08 -1.94 1.84 0.00 0.03 0.00 0.00 46.19 46.20 2jgk s LEU 308 CO 0.71 -0.53 2.20 0.77 0.23 0.00 0.00 176.35 179.73 2jgk h SER 309 N 8.31 0.00 -5.10 2.29 4.64 -1.81 -0.98 113.55 120.90 2jgk h SER 309 Ca -0.21 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.19 2jgk h SER 309 Cb 1.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 2jgk h SER 309 CO 0.74 0.04 0.32 -0.62 -0.87 0.00 0.00 176.83 176.44 2jgk s ASP 310 N -5.80 -0.16 0.53 4.97 2.15 -1.26 -4.38 116.67 112.73 2jgk s ASP 310 Ca -0.04 -0.71 -0.21 0.00 0.43 0.00 0.00 52.55 52.02 2jgk s ASP 310 Cb 0.13 0.70 -0.06 0.00 -0.30 0.00 0.00 42.92 43.39 2jgk s ASP 310 CO 0.52 -1.32 1.17 0.35 -0.17 0.00 0.00 175.17 175.71 2jgk n THR 311 N -0.50 3.47 -0.22 1.71 -2.24 -1.26 -4.79 114.28 110.45 2jgk n THR 311 Ca -0.05 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.22 2jgk n THR 311 Cb 0.60 -1.41 0.10 0.00 -2.10 0.00 0.00 70.33 67.52 2jgk n THR 311 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2jgk h PRO 312 N 1.19 0.59 -0.62 -0.78 0.11 -1.98 -2.09 132.00 128.41 2jgk h PRO 312 Ca -0.49 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.71 2jgk h PRO 312 Cb 1.33 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 2jgk h PRO 312 CO 0.55 0.39 -0.16 0.93 -0.21 0.00 0.00 178.00 179.50 2jgk h GLU 313 N 0.60 -0.00 -0.16 1.05 3.07 -1.90 0.13 114.58 117.38 2jgk h GLU 313 Ca 0.30 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.19 2jgk h GLU 313 Cb 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2jgk h GLU 313 CO -0.22 -0.00 -0.00 0.00 -1.40 0.00 0.00 179.01 177.39 2jgk h ALA 314 N 1.61 0.13 0.00 3.43 0.00 -1.77 -2.85 119.26 119.81 2jgk h ALA 314 Ca 0.30 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2jgk h ALA 314 Cb 0.45 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jgk h ALA 314 CO -0.64 -0.45 -0.23 -0.07 0.00 0.00 0.00 179.25 177.86 2jgk h LEU 315 N 0.05 0.00 0.00 0.00 3.38 -0.49 -2.31 115.31 115.93 2jgk h LEU 315 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jgk h LEU 315 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jgk h LEU 315 CO -0.13 0.23 -0.35 0.16 0.09 0.00 0.00 178.44 178.45 2jgk h ILE 316 N 0.00 0.00 -0.01 1.22 3.07 -0.70 -2.66 117.51 118.42 2jgk h ILE 316 Ca -0.00 -0.86 0.00 0.00 1.55 0.00 0.00 64.86 65.55 2jgk h ILE 316 Cb 0.70 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 2jgk h ILE 316 CO 0.03 0.00 -0.10 0.59 -1.05 0.00 0.00 178.15 177.62 2jgk n ASN 317 N -2.73 1.49 0.00 2.16 3.02 -0.90 -4.38 115.26 113.92 2jgk n ASN 317 Ca 0.03 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 2jgk n ASN 317 Cb 0.51 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 2jgk n ASN 317 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jgk n THR 318 N -0.00 0.09 -2.96 3.41 -2.24 -1.03 -5.09 114.28 106.46 2jgk n THR 318 Ca 0.16 -0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 2jgk n THR 318 Cb 0.38 1.33 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 2jgk n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jgk s GLY 319 N -0.09 1.70 -0.49 3.38 0.00 -1.00 -5.05 107.32 105.76 2jgk s GLY 319 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 44.72 44.12 2jgk s GLY 319 CO 0.00 -0.33 0.40 -0.35 0.00 0.00 0.00 173.10 172.83 2jgk s ASP 320 N -3.58 5.95 -0.45 1.64 2.15 -1.26 -4.91 116.67 116.21 2jgk s ASP 320 Ca 0.47 -1.74 0.04 0.00 0.43 0.00 0.00 52.55 51.75 2jgk s ASP 320 Cb -0.10 -2.11 0.51 0.00 -0.30 0.00 0.00 42.92 40.91 2jgk s ASP 320 CO 0.36 -0.74 1.69 0.49 -0.17 0.00 0.00 175.17 176.81 2jgk n PHE 321 N 5.09 2.55 -0.30 -5.34 3.72 -0.58 -4.69 117.46 117.90 2jgk n PHE 321 Ca -0.11 -2.27 0.11 0.00 -0.05 0.00 0.00 57.45 55.12 2jgk n PHE 321 Cb 0.41 -0.88 0.27 0.00 -0.94 0.00 0.00 39.48 38.34 2jgk n PHE 321 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2jgk h GLN 322 N 1.58 0.46 -0.75 -1.08 5.75 -1.66 -2.26 115.11 117.15 2jgk h GLN 322 Ca 0.47 -0.03 -0.35 0.00 -0.15 0.00 0.00 58.65 58.58 2jgk h GLN 322 Cb 1.58 -0.10 -0.21 0.00 1.07 0.00 0.00 27.48 29.81 2jgk h GLN 322 CO 1.02 0.31 0.36 -0.40 -2.65 0.00 0.00 178.83 177.47 2jgk n ASP 323 N -4.98 3.60 -3.99 -0.69 5.75 -1.26 -4.65 116.55 110.32 2jgk n ASP 323 Ca 0.20 -3.57 -0.26 0.00 -0.01 0.00 0.00 54.79 51.15 2jgk n ASP 323 Cb 0.57 -0.76 -0.17 0.00 -1.03 0.00 0.00 41.12 39.74 2jgk n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jgk s LEU 324 N -3.22 1.52 -0.19 -2.12 2.96 -1.15 -5.02 118.68 111.46 2jgk s LEU 324 Ca 0.53 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 2jgk s LEU 324 Cb 0.45 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 2jgk s LEU 324 CO 0.08 -0.02 0.01 -1.10 -1.32 0.00 0.00 176.35 174.01 2jgk s GLN 325 N 1.09 3.70 -0.03 1.98 1.11 -1.26 -1.29 119.66 124.96 2jgk s GLN 325 Ca -0.06 -0.48 0.04 0.00 0.01 0.00 0.00 55.36 54.87 2jgk s GLN 325 Cb -0.14 -3.11 -0.00 0.00 -1.01 0.00 0.00 33.01 28.74 2jgk s GLN 325 CO -0.02 0.08 -0.14 0.08 0.01 0.00 0.00 175.29 175.30 2jgk s VAL 326 N 0.84 1.18 -0.17 1.09 1.01 0.16 -2.65 120.40 121.86 2jgk s VAL 326 Ca 0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2jgk s VAL 326 Cb -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2jgk s VAL 326 CO 0.02 0.34 -0.06 -0.22 0.00 0.00 0.00 175.10 175.18 2jgk s LEU 327 N -0.08 3.03 0.03 3.92 2.96 -0.62 -0.86 118.68 127.06 2jgk s LEU 327 Ca 0.00 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2jgk s LEU 327 Cb -0.09 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2jgk s LEU 327 CO 0.01 0.12 -0.06 0.68 -1.32 0.00 0.00 176.35 175.77 2jgk s VAL 328 N 0.66 0.39 0.10 1.68 -7.23 0.60 -0.54 120.40 116.06 2jgk s VAL 328 Ca -0.03 -0.96 -0.25 0.00 -1.81 0.00 0.00 61.98 58.92 2jgk s VAL 328 Cb -0.15 -0.48 0.09 0.00 0.56 0.00 0.00 36.38 36.40 2jgk s VAL 328 CO 0.02 -0.38 1.12 -0.83 -0.31 0.00 0.00 175.10 174.72 2jgk s GLY 329 N -1.43 -0.08 0.18 2.32 0.00 -1.04 -1.07 107.32 106.20 2jgk s GLY 329 Ca -0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 44.72 44.59 2jgk s GLY 329 CO -0.00 2.37 0.07 -1.34 0.00 0.00 0.00 173.10 174.20 2jgk s VAL 330 N -2.35 0.25 0.24 1.40 -7.23 -1.03 -0.72 120.40 110.96 2jgk s VAL 330 Ca 0.21 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 2jgk s VAL 330 Cb -0.01 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 2jgk s VAL 330 CO 0.02 -0.26 0.36 0.68 -0.31 0.00 0.00 175.10 175.59 2jgk s VAL 331 N -3.96 5.25 0.26 1.32 -7.23 -1.26 0.23 120.40 115.02 2jgk s VAL 331 Ca 0.31 -0.99 -0.03 0.00 -1.81 0.00 0.00 61.98 59.46 2jgk s VAL 331 Cb 0.07 -3.85 0.29 0.00 0.56 0.00 0.00 36.38 33.44 2jgk s VAL 331 CO 0.07 -0.32 1.65 0.50 -0.31 0.00 0.00 175.10 176.68 2jgk h LYS 332 N 1.19 0.17 -2.17 4.82 1.63 -1.34 -3.30 116.57 117.58 2jgk h LYS 332 Ca -0.52 -0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 58.68 2jgk h LYS 332 Cb 1.23 -0.04 -0.41 0.00 -0.60 0.00 0.00 32.23 32.41 2jgk h LYS 332 CO 0.61 0.11 -0.71 -0.25 -3.45 0.00 0.00 179.45 175.76 2jgk n ASP 333 N -5.27 3.17 -0.21 4.20 9.92 -0.29 -4.93 116.55 123.14 2jgk n ASP 333 Ca 0.17 -3.34 0.07 0.00 -0.53 0.00 0.00 54.79 51.15 2jgk n ASP 333 Cb 0.56 -0.65 0.34 0.00 -0.64 0.00 0.00 41.12 40.73 2jgk n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jgk h GLU 334 N 3.90 0.77 0.00 -1.24 4.39 -1.78 -3.16 114.58 117.46 2jgk h GLU 334 Ca 0.16 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2jgk h GLU 334 Cb 0.68 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2jgk h GLU 334 CO 0.76 0.51 -0.84 0.78 -1.16 0.00 0.00 179.01 179.05 2jgk h GLY 335 N 0.79 0.00 0.78 -3.84 0.00 -1.86 -3.38 103.07 95.56 2jgk h GLY 335 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.68 2jgk h GLY 335 CO -0.12 0.00 -0.12 1.48 0.00 0.00 0.00 176.54 177.78 2jgk h SER 336 N 0.00 -0.33 -1.02 0.19 4.64 -1.75 -0.83 113.55 114.45 2jgk h SER 336 Ca -0.04 0.04 0.32 0.00 -0.47 0.00 0.00 61.79 61.65 2jgk h SER 336 Cb 1.18 0.13 -0.14 0.00 -0.31 0.00 0.00 62.40 63.25 2jgk h SER 336 CO 0.02 -0.18 0.59 0.22 -0.87 0.00 0.00 176.83 176.61 2jgk h TYR 337 N -0.24 0.90 -0.00 4.77 3.20 -1.79 -1.87 116.97 121.94 2jgk h TYR 337 Ca 0.02 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2jgk h TYR 337 Cb 0.26 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2jgk h TYR 337 CO -0.15 -0.15 -0.70 0.74 -1.64 0.00 0.00 178.16 176.26 2jgk h PHE 338 N 0.33 0.03 -0.71 -3.82 0.05 -1.40 -3.23 116.94 108.19 2jgk h PHE 338 Ca 0.73 -0.01 0.06 0.00 3.82 0.00 0.00 57.97 62.57 2jgk h PHE 338 Cb 1.70 -0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.60 2jgk h PHE 338 CO -0.01 0.71 0.47 -0.07 -0.18 0.00 0.00 178.31 179.23 2jgk h LEU 339 N 0.01 0.64 -1.35 1.54 3.38 -1.24 -2.01 115.31 116.28 2jgk h LEU 339 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jgk h LEU 339 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jgk h LEU 339 CO 0.09 0.41 0.00 -0.37 0.09 0.00 0.00 178.44 178.67 2jgk h VAL 340 N 0.73 0.00 -1.83 1.22 -1.51 -1.68 -1.98 116.25 111.20 2jgk h VAL 340 Ca 0.30 -0.52 -0.77 0.00 -1.23 0.00 0.00 66.70 64.49 2jgk h VAL 340 Cb 0.26 1.50 -0.19 0.00 -2.13 0.00 0.00 31.29 30.74 2jgk h VAL 340 CO -0.10 0.00 1.67 -1.22 -1.23 0.00 0.00 177.57 176.69 2jgk n TYR 341 N -3.04 3.02 -1.04 5.19 4.02 -0.76 -4.59 117.16 119.97 2jgk n TYR 341 Ca 0.01 -2.82 0.00 0.00 -0.01 0.00 0.00 57.90 55.08 2jgk n TYR 341 Cb 0.31 -1.81 0.00 0.00 -0.02 0.00 0.00 39.34 37.82 2jgk n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jgk n GLY 342 N 2.59 0.58 3.43 2.72 0.00 -1.25 -4.82 105.19 108.44 2jgk n GLY 342 Ca 0.36 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 2jgk n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgk s VAL 343 N -2.00 4.87 0.25 1.61 1.01 -0.74 -4.96 120.40 120.44 2jgk s VAL 343 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 2jgk s VAL 343 Cb 0.00 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.60 2jgk s VAL 343 CO 0.00 -0.18 1.55 -2.65 0.00 0.00 0.00 175.10 173.82 2jgk n PRO 344 N 5.06 2.44 0.00 2.72 -0.02 -1.26 -2.25 135.00 141.69 2jgk n PRO 344 Ca -0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2jgk n PRO 344 Cb 0.47 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2jgk n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgk n GLY 345 N 2.56 2.74 3.83 -1.23 0.00 -1.26 -4.93 105.19 106.89 2jgk n GLY 345 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2jgk n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jgk s PHE 346 N -2.47 3.51 0.03 1.61 0.40 -0.95 -4.62 117.98 115.48 2jgk s PHE 346 Ca 0.00 0.44 -0.23 0.00 -0.60 0.00 0.00 56.93 56.54 2jgk s PHE 346 Cb 0.00 -1.96 0.05 0.00 0.51 0.00 0.00 43.02 41.63 2jgk s PHE 346 CO 0.00 0.63 0.53 0.45 0.70 0.00 0.00 175.22 177.53 2jgk s SER 347 N -0.78 -0.46 0.51 1.36 0.15 -1.26 -4.69 113.70 108.53 2jgk s SER 347 Ca 0.13 0.25 0.31 0.00 0.70 0.00 0.00 55.95 57.34 2jgk s SER 347 Cb -0.12 0.49 1.11 0.00 -1.71 0.00 0.00 66.02 65.79 2jgk s SER 347 CO 0.03 -0.69 1.88 0.07 1.20 0.00 0.00 173.24 175.73 2jgk h LYS 348 N 2.87 0.00 -0.01 5.44 2.10 -1.99 -3.33 116.57 121.65 2jgk h LYS 348 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2jgk h LYS 348 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2jgk h LYS 348 CO 0.41 0.00 -0.49 -0.25 -2.00 0.00 0.00 179.45 177.12 2jgk n ASP 349 N -3.03 1.38 -3.61 7.07 8.00 -1.26 -4.51 116.55 120.59 2jgk n ASP 349 Ca 0.02 -1.10 -0.17 0.00 0.71 0.00 0.00 54.79 54.24 2jgk n ASP 349 Cb 0.35 0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 41.79 2jgk n ASP 349 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jgk s ASN 350 N -2.62 1.22 0.00 -2.24 2.20 -1.25 -5.04 114.94 107.20 2jgk s ASN 350 Ca 0.18 -1.65 0.06 0.00 -0.94 0.00 0.00 52.86 50.51 2jgk s ASN 350 Cb 0.18 0.51 0.28 0.00 -2.00 0.00 0.00 41.25 40.22 2jgk s ASN 350 CO 0.61 -1.00 1.06 -0.62 -2.94 0.00 0.00 177.10 174.22 2jgk n GLU 351 N -0.52 0.06 -3.08 3.55 -0.58 -1.26 -4.71 120.64 114.11 2jgk n GLU 351 Ca 0.06 0.27 -0.20 0.00 -0.42 0.00 0.00 57.16 56.87 2jgk n GLU 351 Cb 0.63 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 30.00 2jgk n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jgk n SER 352 N -1.33 -3.92 -4.67 1.62 7.64 -1.26 -4.92 113.62 106.78 2jgk n SER 352 Ca 0.02 -0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.27 2jgk n SER 352 Cb 0.05 -3.26 -0.03 0.00 -1.01 0.00 0.00 64.21 59.96 2jgk n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jgk s LEU 353 N -6.25 4.32 0.35 -3.43 1.43 -1.26 -4.75 118.68 109.09 2jgk s LEU 353 Ca 0.28 2.23 0.08 0.00 -1.03 0.00 0.00 54.13 55.69 2jgk s LEU 353 Cb -0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2jgk s LEU 353 CO 0.34 -0.90 0.22 0.27 0.23 0.00 0.00 176.35 176.51 2jgk s ILE 354 N 3.74 3.16 0.41 -0.59 -4.36 -1.25 -5.00 121.20 117.32 2jgk s ILE 354 Ca 0.72 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.58 2jgk s ILE 354 Cb -0.33 -3.06 -0.01 0.00 1.25 0.00 0.00 42.46 40.31 2jgk s ILE 354 CO 0.29 -0.16 0.62 -0.94 0.24 0.00 0.00 174.94 174.99 2jgk s SER 355 N -3.93 5.95 0.31 4.36 1.04 -1.26 -4.24 113.70 115.93 2jgk s SER 355 Ca 0.40 0.27 0.03 0.00 0.48 0.00 0.00 55.95 57.13 2jgk s SER 355 Cb -0.04 -1.60 0.62 0.00 0.10 0.00 0.00 66.02 65.10 2jgk s SER 355 CO 0.25 -0.58 1.87 -0.09 0.98 0.00 0.00 173.24 175.66 2jgk h ARG 356 N 0.53 0.89 -0.40 4.02 2.43 -1.88 0.50 114.38 120.47 2jgk h ARG 356 Ca -0.47 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2jgk h ARG 356 Cb 1.25 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 2jgk h ARG 356 CO 0.58 0.59 0.24 0.00 -1.51 0.00 0.00 179.97 179.86 2jgk h ALA 357 N 1.55 0.50 0.00 2.80 0.00 -1.98 -1.11 119.26 121.02 2jgk h ALA 357 Ca 0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2jgk h ALA 357 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jgk h ALA 357 CO -0.21 -0.09 -0.23 1.96 0.00 0.00 0.00 179.25 180.68 2jgk h GLN 358 N 0.48 0.00 0.21 0.00 4.20 -1.43 -2.11 115.11 116.46 2jgk h GLN 358 Ca 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2jgk h GLN 358 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2jgk h GLN 358 CO -0.07 0.23 -0.10 0.35 -0.67 0.00 0.00 178.83 178.57 2jgk h PHE 359 N 0.00 -0.26 -0.47 2.96 -0.00 -0.11 -0.60 116.94 118.46 2jgk h PHE 359 Ca -0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 57.97 57.98 2jgk h PHE 359 Cb 0.51 0.09 -0.02 0.00 -0.00 0.00 0.00 35.95 36.52 2jgk h PHE 359 CO 0.00 0.13 0.31 -0.07 -0.00 0.00 0.00 178.31 178.68 2jgk h LEU 360 N -0.75 0.50 -0.50 0.59 3.38 -1.16 -1.28 115.31 116.10 2jgk h LEU 360 Ca -0.03 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2jgk h LEU 360 Cb 0.50 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jgk h LEU 360 CO 0.05 0.36 -0.32 0.00 0.09 0.00 0.00 178.44 178.62 2jgk h ALA 361 N 1.72 0.68 0.00 1.53 0.00 -1.38 -2.82 119.26 118.99 2jgk h ALA 361 Ca 0.18 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2jgk h ALA 361 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jgk h ALA 361 CO -0.04 0.67 -0.50 0.78 0.00 0.00 0.00 179.25 180.16 2jgk h GLY 362 N 0.87 0.00 1.35 0.00 0.00 -0.34 -2.91 103.07 102.04 2jgk h GLY 362 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 2jgk h GLY 362 CO 0.08 0.00 -0.46 -2.08 0.00 0.00 0.00 176.54 174.08 2jgk h VAL 363 N 0.00 1.30 -0.75 4.60 2.07 -1.17 0.23 116.25 122.52 2jgk h VAL 363 Ca -0.01 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 2jgk h VAL 363 Cb 0.93 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 2jgk h VAL 363 CO 0.07 0.53 0.37 0.03 0.02 0.00 0.00 177.57 178.59 2jgk h ARG 364 N 0.56 1.07 -0.03 1.57 2.47 -1.40 -0.97 114.38 117.65 2jgk h ARG 364 Ca 0.03 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.51 2jgk h ARG 364 Cb 1.01 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 29.14 2jgk h ARG 364 CO 0.10 0.83 -0.34 0.82 0.56 0.00 0.00 179.97 181.93 2jgk h ILE 365 N 1.05 1.47 -0.36 2.04 2.04 -1.31 -3.15 117.51 119.29 2jgk h ILE 365 Ca 0.26 -1.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 2jgk h ILE 365 Cb 0.10 2.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 2jgk h ILE 365 CO -0.04 0.53 0.11 1.23 0.00 0.00 0.00 178.15 179.98 2jgk h GLY 366 N -0.28 0.56 -6.37 5.37 0.00 -0.54 -3.29 103.07 98.51 2jgk h GLY 366 Ca -0.03 -0.28 -0.60 0.00 0.00 0.00 0.00 47.33 46.42 2jgk h GLY 366 CO 0.07 0.26 -0.61 -0.62 0.00 0.00 0.00 176.54 175.64 2jgk n VAL 367 N -4.36 2.05 0.28 4.60 0.31 -0.37 -4.85 118.33 115.99 2jgk n VAL 367 Ca 0.02 -5.08 0.16 0.00 -0.01 0.00 0.00 64.34 59.43 2jgk n VAL 367 Cb 0.17 -2.11 0.59 0.00 -0.91 0.00 0.00 33.84 31.58 2jgk n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jgk h PRO 368 N 4.43 0.00 0.00 5.55 0.13 -1.61 -1.60 132.00 138.89 2jgk h PRO 368 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2jgk h PRO 368 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2jgk h PRO 368 CO 0.79 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 2jgk n GLN 369 N -3.03 0.74 -3.14 0.86 0.00 -1.26 -4.87 117.38 106.69 2jgk n GLN 369 Ca 0.01 0.01 -0.39 0.00 0.00 0.00 0.00 57.00 56.63 2jgk n GLN 369 Cb 0.34 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.02 2jgk n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jgk s ALA 370 N -2.12 3.45 1.35 2.61 0.00 -0.60 -5.07 121.76 121.38 2jgk s ALA 370 Ca 0.37 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 2jgk s ALA 370 Cb 0.18 -2.89 0.34 0.00 0.00 0.00 0.00 23.12 20.76 2jgk s ALA 370 CO 0.33 -0.26 0.99 -1.54 0.00 0.00 0.00 175.76 175.28 2jgk s SER 371 N 0.91 -0.42 0.12 0.00 1.04 -1.26 -4.72 113.70 109.37 2jgk s SER 371 Ca 0.31 0.82 -0.16 0.00 0.48 0.00 0.00 55.95 57.40 2jgk s SER 371 Cb -0.16 -1.16 -0.02 0.00 0.10 0.00 0.00 66.02 64.77 2jgk s SER 371 CO 0.13 -4.97 1.62 0.44 0.98 0.00 0.00 173.24 171.44 2jgk h ASP 372 N -3.15 0.56 -0.58 7.02 5.19 -2.00 -2.06 116.42 121.40 2jgk h ASP 372 Ca -0.45 -0.23 -0.05 0.00 -0.62 0.00 0.00 57.03 55.68 2jgk h ASP 372 Cb 1.33 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.66 2jgk h ASP 372 CO 0.31 0.65 0.20 0.25 -3.12 0.00 0.00 179.24 177.52 2jgk h LEU 373 N 0.45 0.86 -0.24 1.55 5.85 -1.97 -2.29 115.31 119.53 2jgk h LEU 373 Ca 0.12 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2jgk h LEU 373 Cb 0.31 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2jgk h LEU 373 CO 0.00 0.81 -0.19 0.00 -0.34 0.00 0.00 178.44 178.73 2jgk h ALA 374 N 1.31 0.35 -0.95 1.25 0.00 -1.85 -1.29 119.26 118.08 2jgk h ALA 374 Ca 0.20 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.88 2jgk h ALA 374 Cb 0.25 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2jgk h ALA 374 CO -0.01 0.27 0.58 0.00 0.00 0.00 0.00 179.25 180.09 2jgk h ALA 375 N 0.69 1.40 -0.20 0.00 0.00 -1.23 0.18 119.26 120.11 2jgk h ALA 375 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jgk h ALA 375 Cb 0.72 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jgk h ALA 375 CO 0.05 0.19 0.12 1.49 0.00 0.00 0.00 179.25 181.10 2jgk h GLU 376 N 0.93 0.26 -0.34 0.00 4.57 -1.24 -0.47 114.58 118.30 2jgk h GLU 376 Ca 0.47 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.69 2jgk h GLU 376 Cb 0.45 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 2jgk h GLU 376 CO -0.26 0.20 -0.02 0.00 -1.18 0.00 0.00 179.01 177.75 2jgk h ALA 377 N 1.05 0.29 0.64 2.92 0.00 0.31 0.76 119.26 125.22 2jgk h ALA 377 Ca 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2jgk h ALA 377 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jgk h ALA 377 CO -0.01 -0.41 -0.32 0.28 0.00 0.00 0.00 179.25 178.78 2jgk h VAL 378 N 0.08 0.34 -0.69 0.00 2.07 -0.53 -0.43 116.25 117.09 2jgk h VAL 378 Ca 0.16 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.82 2jgk h VAL 378 Cb 0.23 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 2jgk h VAL 378 CO -0.29 0.00 0.19 0.58 0.02 0.00 0.00 177.57 178.07 2jgk h VAL 379 N -0.88 0.60 -0.37 2.57 2.07 -0.93 -0.72 116.25 118.57 2jgk h VAL 379 Ca -0.09 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2jgk h VAL 379 Cb 0.68 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2jgk h VAL 379 CO 0.13 0.06 0.20 -0.07 0.02 0.00 0.00 177.57 177.91 2jgk h LEU 380 N 0.31 0.48 -1.17 2.57 4.07 -0.58 -1.36 115.31 119.63 2jgk h LEU 380 Ca 0.38 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.18 2jgk h LEU 380 Cb 0.59 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 2jgk h LEU 380 CO -0.44 0.44 -0.04 -0.74 -1.08 0.00 0.00 178.44 176.58 2jgk h HIS 381 N 0.47 0.56 -0.00 1.13 2.76 -0.27 -3.13 115.15 116.67 2jgk h HIS 381 Ca 0.13 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2jgk h HIS 381 Cb 0.08 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.88 2jgk h HIS 381 CO -0.02 0.57 -0.47 0.66 -1.30 0.00 0.00 177.93 177.37 2jgk n TYR 382 N -4.25 0.00 -2.59 5.26 4.02 -0.35 -4.89 117.16 114.35 2jgk n TYR 382 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 2jgk n TYR 382 Cb 0.27 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 2jgk n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jgk s THR 383 N -2.79 4.52 -0.53 -0.72 2.01 -0.53 -4.90 115.64 112.71 2jgk s THR 383 Ca 0.16 1.82 -0.24 0.00 0.31 0.00 0.00 61.69 63.73 2jgk s THR 383 Cb 0.18 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.56 2jgk s THR 383 CO 0.65 0.15 0.93 -0.62 -0.69 0.00 0.00 174.62 175.03 2jgk s ASP 384 N 1.00 6.38 0.00 3.53 2.15 -1.26 -4.91 116.67 123.56 2jgk s ASP 384 Ca 0.55 -0.24 0.23 0.00 0.43 0.00 0.00 52.55 53.52 2jgk s ASP 384 Cb -0.24 -2.44 1.00 0.00 -0.30 0.00 0.00 42.92 40.94 2jgk s ASP 384 CO 0.29 -1.18 1.74 0.79 -0.17 0.00 0.00 175.17 176.64 2jgk n TRP 385 N 7.37 0.00 -0.09 -5.34 7.02 -1.26 -1.47 117.44 123.67 2jgk n TRP 385 Ca 0.03 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.36 2jgk n TRP 385 Cb 0.48 -0.49 -0.04 0.00 -2.42 0.00 0.00 31.31 28.84 2jgk n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2jgk h LEU 386 N 0.00 0.93 -6.17 -0.99 3.38 -2.04 -3.39 115.31 107.03 2jgk h LEU 386 Ca 0.00 -0.52 -0.58 0.00 0.09 0.00 0.00 57.88 56.87 2jgk h LEU 386 Cb 0.39 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 40.48 2jgk h LEU 386 CO 0.00 1.27 -0.94 1.41 0.09 0.00 0.00 178.44 180.27 2jgk n HIS 387 N -4.07 0.62 1.32 1.13 8.25 -0.75 -4.97 115.22 116.75 2jgk n HIS 387 Ca -0.04 -3.69 0.07 0.00 -0.26 0.00 0.00 57.72 53.80 2jgk n HIS 387 Cb 0.59 -0.31 0.44 0.00 1.12 0.00 0.00 29.99 31.84 2jgk n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jgk n PRO 388 N 1.57 0.66 0.00 -0.41 -0.04 -0.54 -2.98 135.00 133.26 2jgk n PRO 388 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2jgk n PRO 388 Cb 0.48 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2jgk n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jgk n GLU 389 N -0.85 -0.21 -2.71 0.54 -0.58 -1.26 -4.85 120.64 110.72 2jgk n GLU 389 Ca 0.11 -0.52 -0.43 0.00 -0.42 0.00 0.00 57.16 55.90 2jgk n GLU 389 Cb 0.05 -0.87 -0.03 0.00 -0.57 0.00 0.00 31.44 30.03 2jgk n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jgk s ASP 390 N -0.13 7.03 0.17 1.62 2.15 -1.16 -4.82 116.67 121.52 2jgk s ASP 390 Ca 0.00 1.27 -0.10 0.00 0.43 0.00 0.00 52.55 54.16 2jgk s ASP 390 Cb 0.00 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 2jgk s ASP 390 CO 0.00 -0.65 1.58 -0.65 -0.17 0.00 0.00 175.17 175.28 2jgk h PRO 391 N 7.55 1.03 -0.79 4.34 0.11 -1.93 -1.50 132.00 140.81 2jgk h PRO 391 Ca -0.20 -0.40 0.04 0.00 0.11 0.00 0.00 66.00 65.56 2jgk h PRO 391 Cb 1.07 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 2jgk h PRO 391 CO 0.96 1.09 0.49 1.15 -0.21 0.00 0.00 178.00 181.48 2jgk h THR 392 N 0.91 1.08 -0.06 -1.15 2.02 -1.92 0.56 112.91 114.34 2jgk h THR 392 Ca 0.13 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2jgk h THR 392 Cb 0.72 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2jgk h THR 392 CO 0.05 0.17 -0.03 -0.74 0.37 0.00 0.00 175.52 175.34 2jgk h HIS 393 N 0.94 0.15 -0.80 3.16 -0.00 -1.86 -2.82 115.15 113.91 2jgk h HIS 393 Ca 0.33 -0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.71 2jgk h HIS 393 Cb 0.08 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.41 2jgk h HIS 393 CO -0.04 0.52 0.50 -0.07 -0.00 0.00 0.00 177.93 178.84 2jgk h LEU 394 N -0.27 0.80 -0.10 0.26 3.38 -1.03 0.36 115.31 118.71 2jgk h LEU 394 Ca 0.01 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2jgk h LEU 394 Cb 0.48 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2jgk h LEU 394 CO 0.01 0.54 -0.36 -0.09 0.09 0.00 0.00 178.44 178.63 2jgk h ARG 395 N 0.94 -0.44 -0.34 1.13 1.12 -0.94 0.30 114.38 116.16 2jgk h ARG 395 Ca 0.33 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.21 2jgk h ARG 395 Cb 0.08 0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.12 2jgk h ARG 395 CO -0.14 -0.29 0.13 -0.44 -3.11 0.00 0.00 179.97 176.12 2jgk h ASP 396 N -0.45 0.42 0.26 -3.80 3.32 -0.89 -2.22 116.42 113.07 2jgk h ASP 396 Ca 0.08 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2jgk h ASP 396 Cb 0.58 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2jgk h ASP 396 CO -0.35 0.40 -0.13 0.00 -1.72 0.00 0.00 179.24 177.44 2jgk h ALA 397 N 1.67 -0.35 -0.98 3.45 0.00 0.55 -1.49 119.26 122.11 2jgk h ALA 397 Ca 0.12 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2jgk h ALA 397 Cb 0.11 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2jgk h ALA 397 CO -0.01 -0.69 0.62 1.98 0.00 0.00 0.00 179.25 181.15 2jgk h MET 398 N -0.37 0.91 -0.10 0.00 1.85 -0.49 0.14 114.93 116.88 2jgk h MET 398 Ca -0.04 -0.06 -0.00 0.00 -0.61 0.00 0.00 59.70 59.00 2jgk h MET 398 Cb 0.28 -0.21 -0.00 0.00 0.43 0.00 0.00 31.60 32.10 2jgk h MET 398 CO 0.06 0.61 0.06 1.03 -0.40 0.00 0.00 176.91 178.27 2jgk h SER 399 N 0.94 0.12 -0.85 1.39 0.87 -1.10 -2.88 113.55 112.04 2jgk h SER 399 Ca 0.49 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.97 2jgk h SER 399 Cb 0.53 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 2jgk h SER 399 CO -0.25 0.14 0.40 0.00 -0.53 0.00 0.00 176.83 176.58 2jgk h ALA 400 N 0.99 1.11 0.23 6.23 0.00 0.20 0.36 119.26 128.38 2jgk h ALA 400 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jgk h ALA 400 Cb 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2jgk h ALA 400 CO -0.01 0.67 -0.23 0.28 0.00 0.00 0.00 179.25 179.96 2jgk h VAL 401 N 1.21 0.50 -0.08 0.00 2.07 -0.80 1.02 116.25 120.17 2jgk h VAL 401 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 2jgk h VAL 401 Cb 0.13 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2jgk h VAL 401 CO -0.04 0.00 0.03 0.58 0.02 0.00 0.00 177.57 178.17 2jgk h VAL 402 N -0.50 1.14 -0.12 2.57 2.07 -1.32 -0.78 116.25 119.31 2jgk h VAL 402 Ca -0.00 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2jgk h VAL 402 Cb 0.46 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2jgk h VAL 402 CO -0.05 0.12 -0.10 1.23 0.02 0.00 0.00 177.57 178.79 2jgk h GLY 403 N -0.02 -0.00 1.27 2.17 0.00 -0.71 -2.04 103.07 103.73 2jgk h GLY 403 Ca 0.03 0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 2jgk h GLY 403 CO -0.00 -0.11 -0.32 -0.55 0.00 0.00 0.00 176.54 175.55 2jgk h ASP 404 N -0.11 0.85 -0.28 0.19 3.32 0.11 -0.18 116.42 120.33 2jgk h ASP 404 Ca 0.08 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 56.70 2jgk h ASP 404 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2jgk h ASP 404 CO -0.19 1.10 -0.12 -0.74 -1.72 0.00 0.00 179.24 177.57 2jgk h HIS 405 N 0.69 0.65 0.02 4.55 2.76 -1.05 -1.41 115.15 121.36 2jgk h HIS 405 Ca 0.07 -0.16 -0.29 0.00 -2.20 0.00 0.00 60.37 57.80 2jgk h HIS 405 Cb 0.87 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.64 2jgk h HIS 405 CO 0.05 0.81 -1.62 -0.91 -1.30 0.00 0.00 177.93 174.96 2jgk h ASN 406 N 0.31 0.06 0.00 3.26 2.35 -1.36 -3.41 115.58 116.79 2jgk h ASN 406 Ca 0.06 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2jgk h ASN 406 Cb 0.63 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2jgk h ASN 406 CO 0.04 1.10 0.00 0.52 -1.65 0.00 0.00 177.43 177.44 2jgk n VAL 407 N -3.15 0.57 -0.18 2.81 0.31 -0.12 -4.73 118.33 113.84 2jgk n VAL 407 Ca -0.16 0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.32 2jgk n VAL 407 Cb 1.03 -1.19 0.06 0.00 -0.91 0.00 0.00 33.84 32.84 2jgk n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jgk h VAL 408 N 0.00 0.98 -0.02 2.52 2.07 -1.54 -0.21 116.25 120.04 2jgk h VAL 408 Ca 0.00 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 2jgk h VAL 408 Cb 0.00 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2jgk h VAL 408 CO 0.00 0.10 -0.58 0.00 0.02 0.00 0.00 177.57 177.11 2jgk h PRO 410 N -0.06 0.68 -0.30 0.00 0.11 -1.72 0.17 132.00 130.88 2jgk h PRO 410 Ca -0.07 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.82 2jgk h PRO 410 Cb 1.28 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jgk h PRO 410 CO 0.12 0.45 -0.53 0.28 -0.21 0.00 0.00 178.00 178.10 2jgk h VAL 411 N 0.70 1.27 -0.35 3.15 2.07 -0.83 0.11 116.25 122.37 2jgk h VAL 411 Ca 0.55 -1.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.26 2jgk h VAL 411 Cb 0.94 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2jgk h VAL 411 CO -0.32 0.56 -0.17 0.00 0.02 0.00 0.00 177.57 177.66 2jgk h ALA 412 N 0.69 1.06 -0.14 1.67 0.00 -0.40 0.16 119.26 122.29 2jgk h ALA 412 Ca 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2jgk h ALA 412 Cb 1.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2jgk h ALA 412 CO 0.12 0.57 -0.00 0.37 0.00 0.00 0.00 179.25 180.31 2jgk h GLN 413 N 0.58 0.25 -0.04 0.00 5.75 -0.57 -1.02 115.11 120.06 2jgk h GLN 413 Ca 0.09 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2jgk h GLN 413 Cb 0.61 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 2jgk h GLN 413 CO 0.04 0.48 -0.01 1.25 -2.65 0.00 0.00 178.83 177.94 2jgk h LEU 414 N -0.01 -0.04 -0.03 -2.39 5.85 -0.19 -0.51 115.31 117.99 2jgk h LEU 414 Ca 0.04 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2jgk h LEU 414 Cb 0.37 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2jgk h LEU 414 CO 0.01 -0.01 -0.22 0.00 -0.34 0.00 0.00 178.44 177.87 2jgk h ALA 415 N 1.04 -0.27 -0.09 1.25 0.00 -0.73 -1.70 119.26 118.76 2jgk h ALA 415 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jgk h ALA 415 Cb 0.03 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jgk h ALA 415 CO -0.04 -0.71 -0.10 0.78 0.00 0.00 0.00 179.25 179.18 2jgk h GLY 416 N -0.34 -1.91 0.68 0.00 0.00 -0.73 -0.94 103.07 99.83 2jgk h GLY 416 Ca 0.07 0.88 0.05 0.00 0.00 0.00 0.00 47.33 48.32 2jgk h GLY 416 CO -0.22 -0.68 0.20 3.21 0.00 0.00 0.00 176.54 179.04 2jgk h ARG 417 N -0.06 0.38 -0.04 4.80 2.47 -1.06 -1.96 114.38 118.91 2jgk h ARG 417 Ca 0.02 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2jgk h ARG 417 Cb 0.10 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2jgk h ARG 417 CO -0.12 0.25 0.03 -0.07 0.56 0.00 0.00 179.97 180.62 2jgk h LEU 418 N 0.40 0.04 0.26 3.04 3.38 -1.24 -0.03 115.31 121.16 2jgk h LEU 418 Ca 0.21 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2jgk h LEU 418 Cb 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2jgk h LEU 418 CO -0.18 0.03 -0.35 0.00 0.09 0.00 0.00 178.44 178.03 2jgk h ALA 419 N 1.02 -0.70 -0.27 1.53 0.00 -0.97 -1.39 119.26 118.47 2jgk h ALA 419 Ca 0.02 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2jgk h ALA 419 Cb -0.00 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jgk h ALA 419 CO -0.01 -0.94 0.28 0.00 0.00 0.00 0.00 179.25 178.59 2jgk h ALA 420 N -0.16 1.96 -0.69 0.00 0.00 -1.21 -2.50 119.26 116.67 2jgk h ALA 420 Ca -0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.48 2jgk h ALA 420 Cb 0.64 0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.21 2jgk h ALA 420 CO -0.12 -0.43 0.17 1.04 0.00 0.00 0.00 179.25 179.91 2jgk n GLN 421 N -3.84 2.37 0.00 0.00 6.02 -0.04 -4.91 117.38 116.98 2jgk n GLN 421 Ca 0.04 -3.32 0.00 0.00 -0.01 0.00 0.00 57.00 53.70 2jgk n GLN 421 Cb 0.43 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.62 2jgk n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jgk n GLY 422 N -1.03 0.44 3.87 1.08 0.00 -0.94 -1.53 105.19 107.08 2jgk n GLY 422 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 2jgk n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgk s ALA 423 N -2.00 3.48 -0.41 4.61 0.00 -0.68 -3.65 121.76 123.12 2jgk s ALA 423 Ca 0.00 -0.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.50 2jgk s ALA 423 Cb 0.00 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.60 2jgk s ALA 423 CO 0.00 0.33 0.71 0.50 0.00 0.00 0.00 175.76 177.30 2jgk s ARG 424 N -3.17 3.51 -0.10 0.00 3.52 -0.41 -4.42 118.95 117.87 2jgk s ARG 424 Ca 0.49 -0.05 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 2jgk s ARG 424 Cb -0.11 -3.88 -0.02 0.00 -1.56 0.00 0.00 34.95 29.38 2jgk s ARG 424 CO 0.24 -0.95 -0.11 0.08 -0.81 0.00 0.00 175.30 173.75 2jgk s VAL 425 N 3.00 3.29 -0.14 7.11 1.01 -1.26 -0.67 120.40 132.75 2jgk s VAL 425 Ca 0.27 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2jgk s VAL 425 Cb -0.13 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.89 2jgk s VAL 425 CO 0.19 0.55 -0.20 -0.31 0.00 0.00 0.00 175.10 175.33 2jgk s TYR 426 N -0.12 2.70 -0.01 5.22 1.51 -0.04 0.31 117.35 126.91 2jgk s TYR 426 Ca -0.00 -1.15 0.07 0.00 -1.01 0.00 0.00 57.07 54.98 2jgk s TYR 426 Cb -0.13 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2jgk s TYR 426 CO 0.03 -0.51 -0.23 0.00 -1.11 0.00 0.00 175.55 173.74 2jgk s ALA 427 N 0.70 2.34 0.22 3.71 0.00 -1.25 -0.30 121.76 127.18 2jgk s ALA 427 Ca -0.09 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2jgk s ALA 427 Cb -0.16 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 2jgk s ALA 427 CO 0.01 0.54 0.01 1.52 0.00 0.00 0.00 175.76 177.85 2jgk s TYR 428 N -0.70 1.48 -0.05 0.00 -0.85 -0.23 -1.94 117.35 115.04 2jgk s TYR 428 Ca 0.11 -0.99 0.01 0.00 -0.52 0.00 0.00 57.07 55.68 2jgk s TYR 428 Cb -0.10 -0.86 0.02 0.00 0.38 0.00 0.00 41.96 41.40 2jgk s TYR 428 CO 0.01 -0.13 -0.04 -1.50 -1.52 0.00 0.00 175.55 172.36 2jgk s ILE 429 N -3.53 0.57 -0.19 -3.49 2.07 -0.49 -2.46 121.20 113.68 2jgk s ILE 429 Ca 0.29 -0.11 -0.19 0.00 -1.41 0.00 0.00 60.65 59.22 2jgk s ILE 429 Cb 0.06 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 2jgk s ILE 429 CO 0.08 0.24 0.56 0.12 -1.91 0.00 0.00 174.94 174.04 2jgk s PHE 430 N 1.09 3.39 -0.24 3.50 2.19 0.14 -0.83 117.98 127.21 2jgk s PHE 430 Ca -0.08 0.85 0.02 0.00 0.33 0.00 0.00 56.93 58.05 2jgk s PHE 430 Cb -0.14 -2.72 0.03 0.00 -1.31 0.00 0.00 43.02 38.88 2jgk s PHE 430 CO -0.01 -0.11 0.69 0.39 1.83 0.00 0.00 175.22 178.02 2jgk n GLU 431 N 4.78 0.26 -3.59 10.12 1.02 0.17 -1.34 120.64 132.06 2jgk n GLU 431 Ca -0.03 -0.88 -0.38 0.00 -0.02 0.00 0.00 57.16 55.84 2jgk n GLU 431 Cb 0.50 -1.04 -0.11 0.00 -0.02 0.00 0.00 31.44 30.77 2jgk n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jgk s HIS 432 N -0.39 3.22 0.13 -0.32 2.46 -1.24 -4.92 115.29 114.22 2jgk s HIS 432 Ca 0.03 0.12 -0.27 0.00 0.47 0.00 0.00 55.06 55.40 2jgk s HIS 432 Cb 0.02 -2.37 -0.07 0.00 -0.13 0.00 0.00 32.58 30.03 2jgk s HIS 432 CO 0.03 -0.16 0.86 0.50 -2.47 0.00 0.00 174.74 173.50 2jgk s ARG 433 N 1.74 4.64 0.19 2.88 3.52 -1.26 -4.93 118.95 125.72 2jgk s ARG 433 Ca 0.07 1.28 -0.31 0.00 -0.13 0.00 0.00 55.73 56.64 2jgk s ARG 433 Cb -0.16 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.80 2jgk s ARG 433 CO 0.11 0.37 1.48 0.00 -0.81 0.00 0.00 175.30 176.45 2jgk s ALA 434 N -0.49 3.69 0.55 6.12 0.00 -1.26 -4.86 121.76 125.51 2jgk s ALA 434 Ca 0.41 1.30 0.27 0.00 0.00 0.00 0.00 51.96 53.94 2jgk s ALA 434 Cb -0.23 -3.58 1.45 0.00 0.00 0.00 0.00 23.12 20.76 2jgk s ALA 434 CO 0.27 -0.73 1.99 0.66 0.00 0.00 0.00 175.76 177.96 2jgk h SER 435 N 6.16 0.00 -0.03 0.00 4.64 -1.94 -1.30 113.55 121.08 2jgk h SER 435 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jgk h SER 435 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2jgk h SER 435 CO 0.85 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.16 2jgk n THR 436 N -4.18 0.01 -1.74 2.95 -2.24 -1.26 -4.98 114.28 102.84 2jgk n THR 436 Ca 0.09 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2jgk n THR 436 Cb 0.59 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 2jgk n THR 436 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jgk n LEU 437 N 0.56 4.23 -1.10 3.22 7.94 -0.49 -4.89 117.00 126.47 2jgk n LEU 437 Ca 0.17 1.15 0.12 0.00 -1.11 0.00 0.00 56.01 56.34 2jgk n LEU 437 Cb 0.43 -1.57 0.19 0.00 0.53 0.00 0.00 43.42 43.00 2jgk n LEU 437 CO 0.16 0.07 0.68 0.35 -1.11 0.00 0.00 177.39 177.54 2jgk n THR 438 N 1.95 0.42 -2.90 1.96 -2.24 -1.26 -4.93 114.28 107.27 2jgk n THR 438 Ca 0.08 -0.71 -0.28 0.00 -2.27 0.00 0.00 64.05 60.88 2jgk n THR 438 Cb 0.36 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 2jgk n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jgk s TRP 439 N -1.55 3.52 0.82 4.78 0.52 -1.26 -4.86 118.94 120.91 2jgk s TRP 439 Ca 0.36 0.78 -0.12 0.00 0.02 0.00 0.00 56.10 57.14 2jgk s TRP 439 Cb 0.22 -2.25 0.09 0.00 -1.15 0.00 0.00 33.47 30.38 2jgk s TRP 439 CO 0.31 -0.11 1.16 -1.25 0.02 0.00 0.00 176.95 177.08 2jgk s PRO 440 N -4.27 1.63 0.41 4.98 0.04 -1.26 -4.89 135.00 131.64 2jgk s PRO 440 Ca 0.47 1.58 0.18 0.00 0.04 0.00 0.00 61.00 63.27 2jgk s PRO 440 Cb -0.10 -1.79 1.10 0.00 0.04 0.00 0.00 34.50 33.75 2jgk s PRO 440 CO 0.38 -2.18 1.82 -0.07 0.04 0.00 0.00 177.00 176.99 2jgk h LEU 441 N -1.15 0.41 -1.21 -3.56 3.38 -1.95 -2.24 115.31 108.98 2jgk h LEU 441 Ca -0.45 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2jgk h LEU 441 Cb 1.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2jgk h LEU 441 CO 0.46 0.13 0.00 4.11 0.09 0.00 0.00 178.44 183.24 2jgk h TRP 442 N 0.39 0.00 0.00 1.13 5.08 -1.93 -2.33 115.95 118.30 2jgk h TRP 442 Ca 0.52 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.49 2jgk h TRP 442 Cb 1.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 2jgk h TRP 442 CO -0.00 0.00 -0.18 -1.33 -1.28 0.00 0.00 178.44 175.65 2jgk n MET 443 N -2.57 0.03 0.00 0.12 2.81 -0.84 -5.00 117.12 111.67 2jgk n MET 443 Ca 0.01 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2jgk n MET 443 Cb 0.22 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2jgk n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jgk n GLY 444 N 1.48 2.15 3.37 3.03 0.00 -0.88 -3.94 105.19 110.40 2jgk n GLY 444 Ca 0.06 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 2jgk n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgk s VAL 445 N 0.00 5.12 0.44 1.61 1.01 -1.26 -4.88 120.40 122.44 2jgk s VAL 445 Ca 0.00 -1.69 -0.13 0.00 0.00 0.00 0.00 61.98 60.16 2jgk s VAL 445 Cb 0.00 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.78 2jgk s VAL 445 CO 0.00 -1.15 0.85 -2.84 0.00 0.00 0.00 175.10 171.96 2jgk s PRO 446 N 1.69 3.87 -0.44 2.72 0.02 -1.25 -1.14 135.00 140.47 2jgk s PRO 446 Ca 0.17 0.68 -0.41 0.00 0.02 0.00 0.00 61.00 61.46 2jgk s PRO 446 Cb -0.16 -2.29 -0.18 0.00 0.02 0.00 0.00 34.50 31.89 2jgk s PRO 446 CO -0.03 -0.11 1.40 1.58 -0.33 0.00 0.00 177.00 179.52 2jgk n HIS 447 N -1.32 1.54 0.00 6.54 -0.00 -1.21 -1.66 115.22 119.11 2jgk n HIS 447 Ca 0.04 1.01 0.00 0.00 -0.00 0.00 0.00 57.72 58.77 2jgk n HIS 447 Cb 0.54 -1.96 0.00 0.00 -0.00 0.00 0.00 29.99 28.57 2jgk n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jgk n GLY 448 N 3.51 1.67 1.46 1.57 0.00 -1.26 -4.97 105.19 107.17 2jgk n GLY 448 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.35 2jgk n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jgk n TYR 449 N -1.75 1.44 0.03 1.61 4.02 -0.66 -3.01 117.16 118.83 2jgk n TYR 449 Ca 0.00 -0.51 0.01 0.00 -0.01 0.00 0.00 57.90 57.39 2jgk n TYR 449 Cb 0.00 -0.35 -0.08 0.00 -0.02 0.00 0.00 39.34 38.89 2jgk n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jgk n GLU 450 N 0.56 0.62 -0.09 -0.72 0.00 -1.26 -4.61 120.64 115.14 2jgk n GLU 450 Ca 0.20 0.20 -0.09 0.00 0.00 0.00 0.00 57.16 57.47 2jgk n GLU 450 Cb 0.89 -1.80 -0.02 0.00 0.00 0.00 0.00 31.44 30.51 2jgk n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jgk h ILE 451 N 0.00 1.09 -0.05 3.84 2.04 -1.92 -0.56 117.51 121.95 2jgk h ILE 451 Ca -0.15 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.55 2jgk h ILE 451 Cb 1.52 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2jgk h ILE 451 CO 0.04 0.08 0.11 1.05 0.00 0.00 0.00 178.15 179.44 2jgk h GLU 452 N 0.41 0.00 0.00 2.37 4.11 -1.80 -1.68 114.58 117.99 2jgk h GLU 452 Ca 0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.45 2jgk h GLU 452 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2jgk h GLU 452 CO -0.02 0.00 -0.53 0.74 0.07 0.00 0.00 179.01 179.26 2jgk h PHE 453 N 0.00 0.00 -0.83 2.06 0.04 -1.39 -0.14 116.94 116.68 2jgk h PHE 453 Ca 0.02 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.99 2jgk h PHE 453 Cb 0.25 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.28 2jgk h PHE 453 CO 0.00 1.07 0.28 0.82 -0.60 0.00 0.00 178.31 179.88 2jgk h ILE 454 N -1.00 0.48 0.00 -0.55 1.08 -1.31 -0.56 117.51 115.65 2jgk h ILE 454 Ca -0.14 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2jgk h ILE 454 Cb 1.02 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2jgk h ILE 454 CO -0.08 0.06 0.00 0.49 -0.69 0.00 0.00 178.15 177.93 2jgk n PHE 455 N -5.11 0.00 -1.53 1.37 3.01 -0.65 -4.44 117.46 110.11 2jgk n PHE 455 Ca 0.18 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.61 2jgk n PHE 455 Cb 0.57 -0.35 -0.01 0.00 -0.01 0.00 0.00 39.48 39.68 2jgk n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgk n GLY 456 N 1.03 0.47 0.35 1.37 0.00 -0.22 -4.28 105.19 103.91 2jgk n GLY 456 Ca 0.11 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.38 2jgk n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jgk h LEU 457 N 0.00 0.82 -0.20 0.99 3.38 -1.24 -1.73 115.31 117.33 2jgk h LEU 457 Ca -0.08 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jgk h LEU 457 Cb 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2jgk h LEU 457 CO 0.11 0.39 0.08 -2.65 0.09 0.00 0.00 178.44 176.46 2jgk n PRO 458 N -4.70 0.02 0.24 1.13 -0.02 -1.26 -1.29 135.00 129.11 2jgk n PRO 458 Ca 0.19 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 2jgk n PRO 458 Cb 0.42 -1.64 0.52 0.00 -0.02 0.00 0.00 33.50 32.78 2jgk n PRO 458 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jgk h LEU 459 N 0.00 0.00 -8.91 2.45 3.38 -1.63 -3.42 115.31 107.18 2jgk h LEU 459 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2jgk h LEU 459 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2jgk h LEU 459 CO 0.00 0.17 1.10 -0.62 0.09 0.00 0.00 178.44 179.18 2jgk s ASP 460 N -6.09 6.35 0.53 -0.43 -1.08 -0.41 -4.86 116.67 110.68 2jgk s ASP 460 Ca 0.00 1.21 0.24 0.00 -0.52 0.00 0.00 52.55 53.49 2jgk s ASP 460 Cb 0.10 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.41 2jgk s ASP 460 CO 0.61 -1.35 2.02 -0.65 0.52 0.00 0.00 175.17 176.33 2jgk h PRO 461 N 10.74 0.00 0.00 4.34 0.11 -1.89 -1.27 132.00 144.04 2jgk h PRO 461 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2jgk h PRO 461 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jgk h PRO 461 CO 1.04 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.70 2jgk n SER 462 N -4.37 0.00 -0.95 -2.05 3.41 -1.26 -3.65 113.62 104.75 2jgk n SER 462 Ca 0.07 -0.96 0.11 0.00 -0.26 0.00 0.00 58.87 57.83 2jgk n SER 462 Cb 0.52 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.60 2jgk n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgk n LEU 463 N -0.85 3.02 -1.70 1.04 4.77 -0.48 -4.99 117.00 117.81 2jgk n LEU 463 Ca 0.13 -1.18 -0.17 0.00 -0.03 0.00 0.00 56.01 54.76 2jgk n LEU 463 Cb 0.06 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2jgk n LEU 463 CO 0.10 0.57 -0.20 0.59 -1.33 0.00 0.00 177.39 177.12 2jgk n ASN 464 N 1.29 -5.01 -4.82 -1.43 3.02 -1.24 -4.99 115.26 102.08 2jgk n ASN 464 Ca 0.15 0.15 -0.33 0.00 -0.03 0.00 0.00 54.58 54.51 2jgk n ASN 464 Cb 0.56 -4.07 -0.07 0.00 -0.61 0.00 0.00 39.78 35.59 2jgk n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jgk s TYR 465 N -2.76 3.34 0.90 3.10 2.02 -1.26 -4.81 117.35 117.88 2jgk s TYR 465 Ca 0.00 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.15 2jgk s TYR 465 Cb 0.00 -2.80 0.13 0.00 -0.40 0.00 0.00 41.96 38.89 2jgk s TYR 465 CO 0.00 -0.06 1.12 0.95 -1.57 0.00 0.00 175.55 175.99 2jgk s THR 466 N -2.12 2.42 0.27 -0.71 -4.23 -1.26 -4.88 115.64 105.14 2jgk s THR 466 Ca 0.60 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 61.21 2jgk s THR 466 Cb -0.10 -2.31 0.27 0.00 1.34 0.00 0.00 72.50 71.70 2jgk s THR 466 CO 0.14 -0.18 1.91 0.74 -0.54 0.00 0.00 174.62 176.69 2jgk h THR 467 N -1.73 1.16 0.00 3.99 2.02 -1.97 -2.58 112.91 113.80 2jgk h THR 467 Ca -0.45 -0.43 -0.14 0.00 0.77 0.00 0.00 66.41 66.16 2jgk h THR 467 Cb 1.27 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2jgk h THR 467 CO 0.46 0.23 -0.67 -0.33 0.37 0.00 0.00 175.52 175.58 2jgk h GLU 468 N 1.24 0.00 -0.68 6.66 3.07 -1.99 -2.05 114.58 120.83 2jgk h GLU 468 Ca 0.40 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.23 2jgk h GLU 468 Cb 0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 2jgk h GLU 468 CO -0.13 0.67 0.31 0.93 -1.40 0.00 0.00 179.01 179.39 2jgk h GLU 469 N 0.00 0.99 -0.14 2.33 5.08 -1.87 0.19 114.58 121.17 2jgk h GLU 469 Ca -0.01 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2jgk h GLU 469 Cb 1.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2jgk h GLU 469 CO 0.09 0.80 0.05 -0.09 -1.00 0.00 0.00 179.01 178.85 2jgk h ARG 470 N 0.95 0.19 0.21 2.33 1.12 -1.03 0.74 114.38 118.89 2jgk h ARG 470 Ca 0.23 -0.02 -0.31 0.00 -1.11 0.00 0.00 59.98 58.78 2jgk h ARG 470 Cb 0.14 -0.04 0.03 0.00 -0.01 0.00 0.00 29.97 30.09 2jgk h ARG 470 CO -0.03 0.17 -1.39 0.82 -3.11 0.00 0.00 179.97 176.43 2jgk h ILE 471 N 0.19 1.25 -0.47 1.20 2.04 -0.73 -3.08 117.51 117.91 2jgk h ILE 471 Ca 0.05 -2.61 -0.02 0.00 1.00 0.00 0.00 64.86 63.28 2jgk h ILE 471 Cb 0.06 3.01 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 2jgk h ILE 471 CO -0.00 0.79 0.21 0.15 0.00 0.00 0.00 178.15 179.30 2jgk h PHE 472 N 0.00 0.69 -0.29 1.37 3.57 -0.49 -1.16 116.94 120.63 2jgk h PHE 472 Ca -0.25 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.26 2jgk h PHE 472 Cb 2.02 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 40.50 2jgk h PHE 472 CO 0.14 0.57 -0.02 0.00 -2.23 0.00 0.00 178.31 176.77 2jgk h ALA 473 N 1.06 0.24 -0.93 2.41 0.00 -0.95 0.49 119.26 121.58 2jgk h ALA 473 Ca 0.16 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2jgk h ALA 473 Cb 0.15 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2jgk h ALA 473 CO -0.02 -0.42 0.59 1.96 0.00 0.00 0.00 179.25 181.35 2jgk h GLN 474 N 0.06 1.04 -0.59 0.00 4.20 -1.40 -0.21 115.11 118.21 2jgk h GLN 474 Ca 0.14 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 2jgk h GLN 474 Cb 0.19 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2jgk h GLN 474 CO -0.25 0.69 0.01 -0.09 -0.67 0.00 0.00 178.83 178.53 2jgk h ARG 475 N 1.08 1.02 -0.28 1.46 2.43 0.00 -1.50 114.38 118.59 2jgk h ARG 475 Ca 0.40 -0.31 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 2jgk h ARG 475 Cb 0.15 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2jgk h ARG 475 CO -0.17 0.99 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.91 2jgk h LEU 476 N 0.93 0.75 -1.22 3.80 3.38 -0.29 -2.42 115.31 120.24 2jgk h LEU 476 Ca 0.17 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2jgk h LEU 476 Cb 0.53 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2jgk h LEU 476 CO 0.03 1.08 0.33 0.24 0.09 0.00 0.00 178.44 180.21 2jgk h MET 477 N 0.43 0.87 -0.22 1.13 2.86 -0.88 -1.26 114.93 117.86 2jgk h MET 477 Ca 0.04 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2jgk h MET 477 Cb 0.88 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2jgk h MET 477 CO 0.07 0.65 0.13 0.87 1.06 0.00 0.00 176.91 179.69 2jgk h LYS 478 N 0.88 0.26 0.27 1.72 1.79 -1.10 -1.48 116.57 118.90 2jgk h LYS 478 Ca 0.22 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2jgk h LYS 478 Cb 0.04 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2jgk h LYS 478 CO -0.04 0.17 -0.23 1.88 -1.08 0.00 0.00 179.45 180.15 2jgk h TYR 479 N 0.27 -0.62 0.28 -1.35 0.05 -0.80 0.18 116.97 114.97 2jgk h TYR 479 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2jgk h TYR 479 Cb -0.01 0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2jgk h TYR 479 CO -0.07 -0.35 -0.27 -1.49 -1.05 0.00 0.00 178.16 174.93 2jgk h TRP 480 N -0.52 -0.71 -0.47 4.88 6.55 -1.25 -0.06 115.95 124.38 2jgk h TRP 480 Ca -0.01 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.73 2jgk h TRP 480 Cb 0.47 0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 29.03 2jgk h TRP 480 CO -0.15 -0.39 -0.11 1.79 -1.05 0.00 0.00 178.44 178.53 2jgk h THR 481 N -0.57 1.26 -0.73 1.49 1.35 -1.23 0.20 112.91 114.67 2jgk h THR 481 Ca -0.01 -1.20 0.07 0.00 -0.55 0.00 0.00 66.41 64.72 2jgk h THR 481 Cb 0.52 1.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.90 2jgk h THR 481 CO -0.05 0.42 0.41 0.78 -0.25 0.00 0.00 175.52 176.83 2jgk h ASN 482 N 0.77 0.60 -0.43 5.36 2.35 -0.49 0.23 115.58 123.97 2jgk h ASN 482 Ca 0.13 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2jgk h ASN 482 Cb 0.62 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2jgk h ASN 482 CO 0.04 0.37 0.24 0.15 -1.65 0.00 0.00 177.43 176.58 2jgk h PHE 483 N 0.73 0.59 -0.91 1.19 3.57 -0.13 0.11 116.94 122.10 2jgk h PHE 483 Ca 0.34 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.91 2jgk h PHE 483 Cb 0.25 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2jgk h PHE 483 CO -0.07 0.45 0.59 0.00 -2.23 0.00 0.00 178.31 177.05 2jgk h ALA 484 N 1.09 1.57 -0.04 2.41 0.00 -0.35 -0.33 119.26 123.60 2jgk h ALA 484 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jgk h ALA 484 Cb 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jgk h ALA 484 CO -0.02 0.27 -0.34 0.00 0.00 0.00 0.00 179.25 179.15 2jgk h ARG 485 N 0.96 0.30 0.00 0.00 3.08 -0.27 -3.41 114.38 115.05 2jgk h ARG 485 Ca 0.41 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2jgk h ARG 485 Cb 0.32 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2jgk h ARG 485 CO -0.17 0.94 -0.15 0.25 -1.07 0.00 0.00 179.97 179.77 2jgk n THR 486 N -4.42 0.00 -1.01 2.04 -2.24 -0.04 -4.99 114.28 103.63 2jgk n THR 486 Ca -0.09 -0.36 -0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2jgk n THR 486 Cb 0.52 0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2jgk n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jgk n GLY 487 N 1.08 0.46 3.09 3.38 0.00 -0.14 -5.04 105.19 108.03 2jgk n GLY 487 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 2jgk n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jgk s ASP 488 N -2.40 0.08 0.43 1.61 2.15 -1.26 -4.91 116.67 112.38 2jgk s ASP 488 Ca 0.00 0.70 0.30 0.00 0.43 0.00 0.00 52.55 53.98 2jgk s ASP 488 Cb 0.00 0.82 1.24 0.00 -0.30 0.00 0.00 42.92 44.68 2jgk s ASP 488 CO 0.00 -0.23 1.88 1.55 -0.17 0.00 0.00 175.17 178.21 2jgk h PRO 489 N 8.06 0.00 -7.35 4.34 0.13 -1.82 -3.18 132.00 132.17 2jgk h PRO 489 Ca -0.19 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.44 2jgk h PRO 489 Cb 1.12 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.36 2jgk h PRO 489 CO 0.17 0.00 0.34 -0.80 -0.23 0.00 0.00 178.00 177.47 2jgk s ASN 490 N -5.08 4.73 -0.26 1.44 0.01 -1.26 -4.37 114.94 110.14 2jgk s ASN 490 Ca 0.02 1.56 -0.17 0.00 -0.71 0.00 0.00 52.86 53.56 2jgk s ASN 490 Cb 0.09 -2.34 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 2jgk s ASN 490 CO 0.48 -1.85 0.46 -0.62 -1.51 0.00 0.00 177.10 174.05 2jgk s ASP 491 N -3.70 6.37 0.33 -1.22 3.68 -1.26 -4.92 116.67 115.95 2jgk s ASP 491 Ca 0.60 0.44 0.01 0.00 2.13 0.00 0.00 52.55 55.73 2jgk s ASP 491 Cb -0.15 -2.25 0.57 0.00 -1.45 0.00 0.00 42.92 39.63 2jgk s ASP 491 CO 0.55 -0.24 1.98 -0.65 0.13 0.00 0.00 175.17 176.95 2jgk h PRO 492 N 8.03 0.93 0.00 4.34 0.11 -1.95 -3.35 132.00 140.11 2jgk h PRO 492 Ca -0.30 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2jgk h PRO 492 Cb 1.15 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2jgk h PRO 492 CO 0.69 0.62 0.00 0.54 -0.21 0.00 0.00 178.00 179.64 2jgk n ARG 493 N -4.44 0.00 -1.53 1.05 1.74 -1.26 -4.79 116.66 107.43 2jgk n ARG 493 Ca 0.09 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.72 2jgk n ARG 493 Cb 0.07 -0.21 -0.05 0.00 -1.02 0.00 0.00 32.46 31.25 2jgk n ARG 493 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jgk n ASP 494 N -0.16 2.60 -0.02 0.55 2.03 -1.26 -4.80 116.55 115.50 2jgk n ASP 494 Ca 0.00 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.46 2jgk n ASP 494 Cb 0.00 -1.44 0.01 0.00 -0.72 0.00 0.00 41.12 38.97 2jgk n ASP 494 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jgk n SER 495 N 11.79 1.22 -0.09 1.67 3.41 -1.26 -4.39 113.62 125.97 2jgk n SER 495 Ca 0.36 -1.68 -0.12 0.00 -0.26 0.00 0.00 58.87 57.17 2jgk n SER 495 Cb 0.38 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.26 2jgk n SER 495 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2jgk h LYS 496 N 0.00 0.51 -6.93 4.33 1.57 -1.96 -3.43 116.57 110.65 2jgk h LYS 496 Ca 0.00 -0.19 -0.52 0.00 -1.87 0.00 0.00 60.65 58.07 2jgk h LYS 496 Cb 0.73 -0.03 0.07 0.00 0.08 0.00 0.00 32.23 33.08 2jgk h LYS 496 CO 0.00 0.72 0.58 -1.54 -0.57 0.00 0.00 179.45 178.64 2jgk s SER 497 N -6.10 6.44 0.51 0.86 1.04 -1.26 -4.95 113.70 110.24 2jgk s SER 497 Ca -0.13 2.57 -0.23 0.00 0.48 0.00 0.00 55.95 58.63 2jgk s SER 497 Cb 0.08 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.50 2jgk s SER 497 CO 0.77 -0.75 1.36 -2.16 0.98 0.00 0.00 173.24 173.43 2jgk s PRO 498 N -2.18 3.36 0.46 4.02 0.04 -1.26 -4.99 135.00 134.44 2jgk s PRO 498 Ca 0.56 2.24 -0.21 0.00 0.04 0.00 0.00 61.00 63.62 2jgk s PRO 498 Cb -0.36 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 2jgk s PRO 498 CO 0.46 -1.02 1.03 -0.65 0.04 0.00 0.00 177.00 176.87 2jgk s GLN 499 N -2.75 3.95 -0.46 4.56 -1.52 -1.26 -4.84 119.66 117.34 2jgk s GLN 499 Ca 0.68 1.38 -0.14 0.00 -1.95 0.00 0.00 55.36 55.33 2jgk s GLN 499 Cb -0.40 -2.23 0.08 0.00 -0.22 0.00 0.00 33.01 30.24 2jgk s GLN 499 CO 0.49 -0.31 0.36 -0.46 -0.25 0.00 0.00 175.29 175.12 2jgk s TRP 500 N -1.90 3.27 0.37 0.91 -0.11 -1.26 -4.92 118.94 115.29 2jgk s TRP 500 Ca 0.64 -1.14 -0.23 0.00 1.22 0.00 0.00 56.10 56.59 2jgk s TRP 500 Cb -0.17 -3.15 -0.10 0.00 -1.50 0.00 0.00 33.47 28.54 2jgk s TRP 500 CO 0.21 -0.83 0.93 -1.25 -4.62 0.00 0.00 176.95 171.40 2jgk s PRO 501 N 1.57 4.38 0.66 5.86 0.04 -1.26 -4.88 135.00 141.37 2jgk s PRO 501 Ca 0.04 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 2jgk s PRO 501 Cb -0.24 -2.50 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2jgk s PRO 501 CO 0.05 0.13 0.94 -2.30 0.04 0.00 0.00 177.00 175.86 2jgk n PRO 502 N -0.03 0.69 -2.77 0.56 -0.02 -1.26 -4.71 135.00 127.46 2jgk n PRO 502 Ca 0.04 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 2jgk n PRO 502 Cb 0.52 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2jgk n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgk s TYR 503 N -1.66 3.61 0.18 6.00 6.14 0.15 -4.52 117.35 127.26 2jgk s TYR 503 Ca 0.75 1.59 0.07 0.00 0.64 0.00 0.00 57.07 60.12 2jgk s TYR 503 Cb -0.38 -3.08 -0.05 0.00 0.42 0.00 0.00 41.96 38.88 2jgk s TYR 503 CO 0.48 -0.04 -0.14 0.95 0.64 0.00 0.00 175.55 177.45 2jgk s THR 504 N 1.19 1.59 0.18 4.34 -4.23 -1.26 -4.43 115.64 113.02 2jgk s THR 504 Ca 0.48 -2.13 -0.13 0.00 -1.18 0.00 0.00 61.69 58.74 2jgk s THR 504 Cb -0.20 -1.95 0.07 0.00 1.34 0.00 0.00 72.50 71.76 2jgk s THR 504 CO 0.24 -0.60 1.78 0.74 -0.54 0.00 0.00 174.62 176.25 2jgk h THR 505 N 2.72 0.95 -0.31 3.99 2.02 -1.92 0.44 112.91 120.80 2jgk h THR 505 Ca -0.38 -0.17 0.07 0.00 0.77 0.00 0.00 66.41 66.70 2jgk h THR 505 Cb 1.21 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 2jgk h THR 505 CO 0.61 0.09 -0.24 0.00 0.37 0.00 0.00 175.52 176.35 2jgk h ALA 506 N 1.27 -0.06 0.00 6.16 0.00 -2.01 -3.36 119.26 121.26 2jgk h ALA 506 Ca 0.22 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2jgk h ALA 506 Cb 0.13 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jgk h ALA 506 CO -0.16 -0.64 -0.86 0.00 0.00 0.00 0.00 179.25 177.59 2jgk n ALA 507 N -2.85 2.38 -4.30 0.00 0.00 -1.16 -5.02 120.51 109.56 2jgk n ALA 507 Ca 0.00 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 2jgk n ALA 507 Cb 0.29 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 2jgk n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jgk n GLN 508 N -1.47 -1.41 -3.26 0.00 6.02 0.15 -4.39 117.38 113.03 2jgk n GLN 508 Ca -0.00 0.17 -0.39 0.00 -0.01 0.00 0.00 57.00 56.77 2jgk n GLN 508 Cb 0.12 -4.04 -0.06 0.00 1.02 0.00 0.00 30.24 27.28 2jgk n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jgk s GLN 509 N -7.20 4.24 0.24 -1.09 -0.21 -1.26 -0.73 119.66 113.64 2jgk s GLN 509 Ca 0.20 0.72 -0.05 0.00 0.02 0.00 0.00 55.36 56.25 2jgk s GLN 509 Cb -0.12 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.59 2jgk s GLN 509 CO 0.98 0.53 0.31 1.52 -2.12 0.00 0.00 175.29 176.51 2jgk s TYR 510 N -0.72 0.88 0.15 0.91 1.13 -0.77 -3.66 117.35 115.27 2jgk s TYR 510 Ca 0.29 -1.14 0.10 0.00 -1.41 0.00 0.00 57.07 54.91 2jgk s TYR 510 Cb -0.19 -0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.40 2jgk s TYR 510 CO 0.18 -0.84 -0.22 0.14 -2.51 0.00 0.00 175.55 172.29 2jgk s VAL 511 N -3.95 2.02 0.07 -3.49 -7.23 -0.82 -0.75 120.40 106.25 2jgk s VAL 511 Ca 0.32 -1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 58.46 2jgk s VAL 511 Cb 0.03 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.04 2jgk s VAL 511 CO 0.13 -0.10 0.66 -0.94 -0.31 0.00 0.00 175.10 174.54 2jgk s SER 512 N -2.31 7.14 -0.32 4.85 1.04 -0.58 -1.40 113.70 122.12 2jgk s SER 512 Ca 0.14 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 57.86 2jgk s SER 512 Cb -0.08 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.64 2jgk s SER 512 CO 0.07 0.16 0.10 -0.76 0.98 0.00 0.00 173.24 173.79 2jgk s LEU 513 N -0.63 4.15 0.00 2.42 1.43 -0.01 -4.17 118.68 121.86 2jgk s LEU 513 Ca 0.33 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2jgk s LEU 513 Cb -0.20 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2jgk s LEU 513 CO 0.21 -0.27 0.06 -0.46 0.23 0.00 0.00 176.35 176.12 2jgk n ASN 514 N 4.85 -0.17 0.31 2.29 0.23 -1.26 0.45 115.26 121.96 2jgk n ASN 514 Ca -0.13 -1.11 0.20 0.00 -0.53 0.00 0.00 54.58 53.01 2jgk n ASN 514 Cb 0.46 0.28 0.98 0.00 -2.08 0.00 0.00 39.78 39.42 2jgk n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jgk h LEU 515 N 0.00 0.00-10.39 -4.53 3.38 -1.96 -3.43 115.31 98.39 2jgk h LEU 515 Ca -0.02 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.45 2jgk h LEU 515 Cb 0.09 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.90 2jgk h LEU 515 CO 0.03 0.00 0.31 -0.54 0.09 0.00 0.00 178.44 178.34 2jgk s LYS 516 N -3.93 3.29 1.05 1.13 1.02 -1.26 -5.01 119.74 116.03 2jgk s LYS 516 Ca -0.02 0.44 -0.14 0.00 0.02 0.00 0.00 55.97 56.26 2jgk s LYS 516 Cb 0.11 -2.16 0.13 0.00 -0.52 0.00 0.00 37.83 35.39 2jgk s LYS 516 CO 0.46 -0.63 0.50 -2.30 -0.92 0.00 0.00 175.35 172.46 2jgk n PRO 517 N -2.68 -1.20 -1.77 -1.68 -0.02 -1.26 -4.91 135.00 121.48 2jgk n PRO 517 Ca 0.05 -0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 60.80 2jgk n PRO 517 Cb 0.56 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2jgk n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jgk n LEU 518 N -2.60 4.77 -4.02 2.45 4.77 -1.26 -4.91 117.00 116.19 2jgk n LEU 518 Ca 0.05 1.20 -0.24 0.00 -0.03 0.00 0.00 56.01 56.98 2jgk n LEU 518 Cb 0.56 -1.61 -0.16 0.00 -2.33 0.00 0.00 43.42 39.88 2jgk n LEU 518 CO 0.52 0.02 -0.47 -0.70 -1.33 0.00 0.00 177.39 175.44 2jgk s GLU 519 N -2.17 1.61 0.18 3.23 2.12 -1.26 -4.84 118.70 117.57 2jgk s GLU 519 Ca 0.55 -0.41 -0.22 0.00 0.36 0.00 0.00 54.97 55.26 2jgk s GLU 519 Cb -0.48 -1.35 -0.08 0.00 0.26 0.00 0.00 34.13 32.48 2jgk s GLU 519 CO 0.62 0.04 0.72 0.08 -0.54 0.00 0.00 175.26 176.18 2jgk s VAL 520 N 0.60 4.52 0.15 3.70 1.01 -1.26 -1.53 120.40 127.60 2jgk s VAL 520 Ca -0.13 1.42 0.05 0.00 0.00 0.00 0.00 61.98 63.32 2jgk s VAL 520 Cb -0.15 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2jgk s VAL 520 CO 0.03 0.37 -0.10 -0.13 0.00 0.00 0.00 175.10 175.27 2jgk s ARG 521 N -1.56 1.09 -0.10 2.72 0.52 0.07 -4.96 118.95 116.73 2jgk s ARG 521 Ca 0.38 -1.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.16 2jgk s ARG 521 Cb -0.19 -0.67 -0.01 0.00 0.52 0.00 0.00 34.95 34.60 2jgk s ARG 521 CO 0.23 0.08 -0.21 1.03 0.02 0.00 0.00 175.30 176.45 2jgk s ARG 522 N -3.74 3.02 0.00 3.54 0.52 -1.26 -1.85 118.95 119.18 2jgk s ARG 522 Ca 0.17 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 2jgk s ARG 522 Cb 0.02 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.13 2jgk s ARG 522 CO 0.01 0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.99 2jgk n GLY 523 N 3.35 -1.63 3.39 -3.53 0.00 0.09 -4.97 105.19 101.90 2jgk n GLY 523 Ca -0.18 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.60 2jgk n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jgk s LEU 524 N 0.00 5.21 -0.65 0.99 2.96 -1.26 -4.33 118.68 121.60 2jgk s LEU 524 Ca 0.00 -1.31 -0.16 0.00 -0.22 0.00 0.00 54.13 52.44 2jgk s LEU 524 Cb 0.00 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.37 2jgk s LEU 524 CO 0.00 -1.12 0.38 0.54 -1.32 0.00 0.00 176.35 174.82 2jgk n ARG 525 N 6.48 -0.63 0.24 1.98 5.12 -1.26 -4.75 116.66 123.84 2jgk n ARG 525 Ca -0.08 -0.08 -0.15 0.00 -1.93 0.00 0.00 57.85 55.60 2jgk n ARG 525 Cb 0.43 -1.02 -0.08 0.00 -1.16 0.00 0.00 32.46 30.63 2jgk n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jgk h ALA 526 N 2.10 -0.57 0.39 7.54 0.00 -1.94 -0.05 119.26 126.73 2jgk h ALA 526 Ca -0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2jgk h ALA 526 Cb 0.80 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jgk h ALA 526 CO 0.28 -0.78 -0.19 1.96 0.00 0.00 0.00 179.25 180.52 2jgk h GLN 527 N -0.64 -0.50 -0.62 0.00 1.08 -1.97 -2.27 115.11 110.19 2jgk h GLN 527 Ca -0.06 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2jgk h GLN 527 Cb 0.47 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 2jgk h GLN 527 CO 0.10 -0.34 0.28 1.15 -0.95 0.00 0.00 178.83 179.07 2jgk h THR 528 N -0.52 1.22 0.00 -0.54 2.02 -1.93 -2.03 112.91 111.13 2jgk h THR 528 Ca -0.05 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 2jgk h THR 528 Cb 0.40 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2jgk h THR 528 CO 0.09 0.26 -0.26 0.00 0.37 0.00 0.00 175.52 175.98 2jgk h ALA 530 N 1.74 1.59 0.41 0.00 0.00 -0.76 0.21 119.26 122.44 2jgk h ALA 530 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jgk h ALA 530 Cb 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jgk h ALA 530 CO 0.03 0.37 -0.19 0.35 0.00 0.00 0.00 179.25 179.81 2jgk h PHE 531 N 0.80 -0.50 -0.26 0.00 3.57 -0.21 -1.18 116.94 119.15 2jgk h PHE 531 Ca 0.22 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 2jgk h PHE 531 Cb -0.06 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2jgk h PHE 531 CO -0.00 -0.22 -0.23 -1.49 -2.23 0.00 0.00 178.31 174.13 2jgk h TRP 532 N -0.72 0.73 0.19 0.41 4.06 -1.15 0.16 115.95 119.63 2jgk h TRP 532 Ca -0.06 -0.21 -0.32 0.00 2.06 0.00 0.00 58.89 60.37 2jgk h TRP 532 Cb 0.51 -0.16 0.02 0.00 -1.00 0.00 0.00 29.16 28.53 2jgk h TRP 532 CO -0.01 0.92 -1.45 -0.91 -3.56 0.00 0.00 178.44 173.43 2jgk h ASN 533 N 0.33 0.63 0.00 -3.49 2.35 -0.69 -3.37 115.58 111.33 2jgk h ASN 533 Ca 0.04 -0.72 -0.39 0.00 -0.55 0.00 0.00 56.30 54.69 2jgk h ASN 533 Cb 0.79 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 2jgk h ASN 533 CO 0.06 1.57 -2.28 0.54 -1.65 0.00 0.00 177.43 175.67 2jgk n ARG 534 N -3.61 0.55 -0.03 0.81 1.74 -0.48 -4.67 116.66 110.97 2jgk n ARG 534 Ca -0.15 0.24 -0.08 0.00 -0.77 0.00 0.00 57.85 57.09 2jgk n ARG 534 Cb 1.07 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 31.01 2jgk n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jgk h PHE 535 N -0.95 -0.06 -0.66 -1.55 3.57 -1.04 -3.37 116.94 112.88 2jgk h PHE 535 Ca -0.59 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.04 2jgk h PHE 535 Cb 1.51 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 40.17 2jgk h PHE 535 CO -0.13 0.42 0.16 1.25 -2.23 0.00 0.00 178.31 177.78 2jgk h LEU 536 N -0.97 0.04 -0.32 0.59 5.85 -0.85 -0.95 115.31 118.69 2jgk h LEU 536 Ca -0.01 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2jgk h LEU 536 Cb 0.50 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 2jgk h LEU 536 CO 0.01 0.01 -0.48 -0.65 -0.34 0.00 0.00 178.44 176.99 2jgk h PRO 537 N 0.29 -0.39 -0.18 5.25 0.11 -1.74 -0.76 132.00 134.57 2jgk h PRO 537 Ca 0.36 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.55 2jgk h PRO 537 Cb 0.56 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2jgk h PRO 537 CO -0.44 -0.26 0.26 0.87 -0.21 0.00 0.00 178.00 178.21 2jgk h LYS 538 N -0.41 0.00 -0.96 1.05 1.57 -1.34 0.60 116.57 117.08 2jgk h LYS 538 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2jgk h LYS 538 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2jgk h LYS 538 CO -0.53 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.24 2jgk n LEU 539 N -3.56 1.39 0.00 2.94 7.94 -0.29 -2.17 117.00 123.25 2jgk n LEU 539 Ca 0.02 -0.69 0.00 0.00 -1.11 0.00 0.00 56.01 54.22 2jgk n LEU 539 Cb 0.37 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.86 2jgk n LEU 539 CO 0.24 0.29 -0.23 0.18 -1.11 0.00 0.00 177.39 176.76 2jgk n LEU 540 N 0.16 0.00 -2.60 -1.96 4.77 0.21 -4.68 117.00 112.90 2jgk n LEU 540 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2jgk n LEU 540 Cb 0.29 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2jgk n LEU 540 CO 0.00 0.00 1.67 -1.20 -1.33 0.00 0.00 177.39 176.53 2jgk n SER 541 N -0.72 3.92 0.00 -1.43 7.64 -0.92 -5.16 113.62 116.95 2jgk n SER 541 Ca 0.00 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.70 2jgk n SER 541 Cb 0.01 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2jgk n SER 541 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03