#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgk s ASP 5 N 0.00 5.88 0.21 4.31 3.68 -1.26 -4.88 116.67 124.62 2jgk s ASP 5 Ca 0.00 1.07 0.20 0.00 2.13 0.00 0.00 52.55 55.95 2jgk s ASP 5 Cb 0.00 -2.53 0.89 0.00 -1.45 0.00 0.00 42.92 39.83 2jgk s ASP 5 CO 0.00 -1.76 1.60 -0.81 0.13 0.00 0.00 175.17 174.34 2jgk n PRO 6 N 8.48 0.14 0.18 4.34 -0.04 -1.26 -0.96 135.00 145.87 2jgk n PRO 6 Ca 0.21 0.45 0.05 0.00 -0.04 0.00 0.00 63.50 64.17 2jgk n PRO 6 Cb 0.48 -1.81 0.27 0.00 -0.04 0.00 0.00 33.50 32.40 2jgk n PRO 6 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jgk h GLN 7 N 0.00 0.00 -0.94 0.54 1.08 -2.03 -3.16 115.11 110.59 2jgk h GLN 7 Ca 0.00 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.81 2jgk h GLN 7 Cb 0.23 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 27.43 2jgk h GLN 7 CO 0.00 0.42 0.50 1.28 -0.95 0.00 0.00 178.83 180.08 2jgk n LEU 8 N -3.47 6.20 -3.74 1.46 4.77 -0.13 -4.86 117.00 117.22 2jgk n LEU 8 Ca 0.00 -3.29 -0.24 0.00 -0.03 0.00 0.00 56.01 52.46 2jgk n LEU 8 Cb 0.56 -0.78 -0.17 0.00 -2.33 0.00 0.00 43.42 40.69 2jgk n LEU 8 CO 0.38 0.93 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.78 2jgk s LEU 9 N -2.89 0.62 0.00 2.23 2.96 -1.20 -0.09 118.68 120.31 2jgk s LEU 9 Ca 0.51 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 2jgk s LEU 9 Cb 0.42 -0.42 -0.01 0.00 0.50 0.00 0.00 46.19 46.69 2jgk s LEU 9 CO 0.11 -0.23 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.11 2jgk s VAL 10 N 1.99 0.82 -0.42 1.68 1.01 -0.51 -4.97 120.40 120.00 2jgk s VAL 10 Ca 0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 2jgk s VAL 10 Cb -0.13 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2jgk s VAL 10 CO -0.06 0.14 0.37 -0.60 0.00 0.00 0.00 175.10 174.96 2jgk s ARG 11 N -0.47 3.03 0.44 2.72 3.52 -1.26 -0.57 118.95 126.36 2jgk s ARG 11 Ca 0.03 -0.92 0.07 0.00 -0.13 0.00 0.00 55.73 54.78 2jgk s ARG 11 Cb -0.05 -3.99 0.02 0.00 -1.56 0.00 0.00 34.95 29.37 2jgk s ARG 11 CO -0.00 -0.82 0.61 0.14 -0.81 0.00 0.00 175.30 174.41 2jgk s VAL 12 N 1.91 2.93 0.55 7.11 -7.23 0.20 -4.93 120.40 120.94 2jgk s VAL 12 Ca 0.08 -0.95 0.23 0.00 -1.81 0.00 0.00 61.98 59.53 2jgk s VAL 12 Cb -0.18 -2.98 0.34 0.00 0.56 0.00 0.00 36.38 34.12 2jgk s VAL 12 CO 0.11 0.00 2.10 0.03 -0.31 0.00 0.00 175.10 177.04 2jgk h ARG 13 N 0.55 0.00 0.00 4.82 3.08 -1.95 0.14 114.38 121.02 2jgk h ARG 13 Ca -0.40 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 2jgk h ARG 13 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 2jgk h ARG 13 CO 0.46 0.00 -0.18 0.78 -1.07 0.00 0.00 179.97 179.96 2jgk h GLY 14 N 0.00 0.00 0.00 0.04 0.00 -1.94 -3.47 103.07 97.69 2jgk h GLY 14 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2jgk h GLY 14 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2jgk n GLY 15 N 1.14 0.26 3.87 4.60 0.00 0.49 -0.45 105.19 115.10 2jgk n GLY 15 Ca 0.03 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.00 3.61 0.03 1.61 -0.21 -1.25 0.63 119.66 122.08 2jgk s GLN 16 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 55.36 55.44 2jgk s GLN 16 Cb 0.00 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.86 2jgk s GLN 16 CO 0.00 0.69 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.19 2jgk s LEU 17 N -1.46 2.15 -0.18 2.90 1.43 0.27 -1.17 118.68 122.62 2jgk s LEU 17 Ca 0.24 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 2jgk s LEU 17 Cb -0.14 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 2jgk s LEU 17 CO 0.13 0.08 -0.08 -0.60 0.23 0.00 0.00 176.35 176.10 2jgk s ARG 18 N -1.02 3.39 0.47 1.70 3.52 -1.03 -1.42 118.95 124.56 2jgk s ARG 18 Ca 0.03 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 54.98 2jgk s ARG 18 Cb -0.08 -2.84 0.09 0.00 -1.56 0.00 0.00 34.95 30.57 2jgk s ARG 18 CO 0.01 -0.01 0.64 0.41 -0.81 0.00 0.00 175.30 175.54 2jgk n GLY 19 N 4.22 0.52 3.21 8.12 0.00 0.87 -1.28 105.19 120.85 2jgk n GLY 19 Ca -0.18 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.92 1.52 -0.54 -0.61 2.07 -0.97 -4.84 121.20 115.91 2jgk s ILE 20 Ca 0.42 -1.00 -0.24 0.00 -1.41 0.00 0.00 60.65 58.42 2jgk s ILE 20 Cb -0.02 -1.30 0.04 0.00 0.13 0.00 0.00 42.46 41.30 2jgk s ILE 20 CO 0.28 0.28 0.94 -0.60 -1.91 0.00 0.00 174.94 173.93 2jgk s ARG 21 N -0.85 3.35 0.19 3.50 3.52 -1.26 -1.24 118.95 126.16 2jgk s ARG 21 Ca 0.07 -0.23 -0.06 0.00 -0.13 0.00 0.00 55.73 55.37 2jgk s ARG 21 Cb -0.08 -4.04 -0.06 0.00 -1.56 0.00 0.00 34.95 29.21 2jgk s ARG 21 CO 0.01 -1.47 0.46 -0.51 -0.81 0.00 0.00 175.30 172.98 2jgk s LEU 22 N 3.93 4.21 -0.20 -0.88 1.43 -0.01 -4.92 118.68 122.24 2jgk s LEU 22 Ca 0.31 0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.00 2jgk s LEU 22 Cb -0.12 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 2jgk s LEU 22 CO 0.20 -0.03 0.18 -0.75 0.23 0.00 0.00 176.35 176.18 2jgk s LYS 23 N -2.85 4.17 0.05 1.70 2.20 -1.26 -0.67 119.74 123.07 2jgk s LYS 23 Ca 0.43 -0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.96 2jgk s LYS 23 Cb -0.12 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 2jgk s LYS 23 CO 0.24 0.20 -0.20 0.00 -0.36 0.00 0.00 175.35 175.23 2jgk s ALA 24 N 0.64 1.70 0.00 3.13 0.00 -0.35 -4.95 121.76 121.92 2jgk s ALA 24 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2jgk s ALA 24 Cb -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2jgk s ALA 24 CO 0.01 0.37 0.00 -2.30 0.00 0.00 0.00 175.76 173.85 2jgk n PRO 25 N 1.82 0.00 -0.76 0.00 -0.02 -1.26 -0.60 135.00 134.18 2jgk n PRO 25 Ca -0.17 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.33 2jgk n PRO 25 Cb 0.53 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.31 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 -0.94 3.84 0.00 -1.23 0.00 -1.26 -5.04 105.19 100.56 2jgk n GLY 26 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.27 -0.74 3.89 -0.02 0.00 0.23 -5.07 105.19 103.21 2jgk n GLY 27 Ca 0.30 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.00 3.64 0.18 1.61 0.04 -1.26 -1.21 135.00 136.00 2jgk s PRO 28 Ca 0.00 -0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.09 2jgk s PRO 28 Cb 0.00 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2jgk s PRO 28 CO 0.00 0.45 -0.18 0.14 0.04 0.00 0.00 177.00 177.45 2jgk s VAL 29 N -1.67 1.88 -0.39 -0.36 -7.23 0.16 -2.90 120.40 109.89 2jgk s VAL 29 Ca 0.42 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 2jgk s VAL 29 Cb -0.12 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 34.90 2jgk s VAL 29 CO 0.24 -0.37 0.30 -0.44 -0.31 0.00 0.00 175.10 174.53 2jgk s SER 30 N -2.85 6.11 0.21 4.85 0.01 0.84 -0.83 113.70 122.04 2jgk s SER 30 Ca 0.18 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 2jgk s SER 30 Cb -0.05 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 2jgk s SER 30 CO 0.07 -0.39 0.45 0.00 0.41 0.00 0.00 173.24 173.79 2jgk s ALA 31 N 1.77 3.72 -0.38 1.44 0.00 -0.38 -1.44 121.76 126.49 2jgk s ALA 31 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2jgk s ALA 31 Cb -0.18 -2.19 0.16 0.00 0.00 0.00 0.00 23.12 20.91 2jgk s ALA 31 CO 0.11 0.47 0.28 -0.06 0.00 0.00 0.00 175.76 176.56 2jgk s PHE 32 N -1.86 0.86 -0.15 0.00 0.40 0.11 -2.29 117.98 115.05 2jgk s PHE 32 Ca 0.42 -1.96 -0.10 0.00 -0.60 0.00 0.00 56.93 54.69 2jgk s PHE 32 Cb -0.11 -0.89 -0.05 0.00 0.51 0.00 0.00 43.02 42.48 2jgk s PHE 32 CO 0.27 -0.84 0.18 -0.51 0.70 0.00 0.00 175.22 175.02 2jgk s LEU 33 N 0.56 4.30 -0.28 -0.37 1.43 -0.87 -2.34 118.68 121.11 2jgk s LEU 33 Ca 0.26 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 2jgk s LEU 33 Cb -0.09 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2jgk s LEU 33 CO -0.10 0.26 0.19 0.61 0.23 0.00 0.00 176.35 177.54 2jgk n GLY 34 N 2.84 0.58 3.70 -3.19 0.00 -1.02 -3.44 105.19 104.65 2jgk n GLY 34 Ca -0.17 -0.54 -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 -2.90 3.61 -0.04 -0.61 1.01 0.06 -4.78 121.20 117.55 2jgk s ILE 35 Ca 0.09 1.08 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 2jgk s ILE 35 Cb -0.04 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2jgk s ILE 35 CO 0.12 0.04 1.19 -2.16 0.00 0.00 0.00 174.94 174.13 2jgk s PRO 36 N 1.76 4.37 0.00 2.79 0.04 -1.26 -0.47 135.00 142.23 2jgk s PRO 36 Ca 0.63 1.68 0.14 0.00 0.04 0.00 0.00 61.00 63.49 2jgk s PRO 36 Cb -0.33 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 2jgk s PRO 36 CO 0.28 -0.41 0.74 1.97 0.04 0.00 0.00 177.00 179.62 2jgk n PHE 37 N 4.98 0.00 -3.67 0.56 1.16 -1.02 -4.82 117.46 114.65 2jgk n PHE 37 Ca 0.11 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.57 2jgk n PHE 37 Cb 0.46 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.28 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 -1.73 -0.89 0.29 1.98 0.00 -1.25 -3.22 121.76 116.95 2jgk s ALA 38 Ca 0.11 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 2jgk s ALA 38 Cb 0.11 0.53 -0.10 0.00 0.00 0.00 0.00 23.12 23.65 2jgk s ALA 38 CO 0.36 -0.55 1.36 -1.21 0.00 0.00 0.00 175.76 175.72 2jgk s GLU 39 N -3.25 4.32 0.02 0.00 0.41 -0.78 -4.57 118.70 114.86 2jgk s GLU 39 Ca -0.00 2.24 -0.33 0.00 -0.41 0.00 0.00 54.97 56.46 2jgk s GLU 39 Cb 0.01 -3.09 -0.12 0.00 -1.78 0.00 0.00 34.13 29.15 2jgk s GLU 39 CO -0.08 -0.28 1.79 -2.30 -0.49 0.00 0.00 175.26 173.90 2jgk n PRO 40 N 1.48 2.28 -1.09 0.39 -0.02 -1.26 -4.72 135.00 132.06 2jgk n PRO 40 Ca 0.03 0.83 -0.31 0.00 -2.02 0.00 0.00 63.50 62.03 2jgk n PRO 40 Cb 0.41 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.19 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 5.62 3.03 -4.41 0.52 -0.04 -1.26 -4.87 135.00 133.59 2jgk n PRO 41 Ca 0.20 -1.85 -0.25 0.00 -0.04 0.00 0.00 63.50 61.57 2jgk n PRO 41 Cb 0.31 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.06 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 2.47 2.70 0.00 0.52 -7.23 -1.26 -3.27 120.40 114.33 2jgk s VAL 42 Ca 0.60 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2jgk s VAL 42 Cb 0.16 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2jgk s VAL 42 CO -0.05 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 2jgk n GLY 43 N -0.43 1.88 0.00 2.32 0.00 -1.26 -2.00 105.19 105.70 2jgk n GLY 43 Ca -0.07 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 10.61 0.00 -0.22 1.61 3.41 -1.26 -3.33 113.62 124.44 2jgk n SER 44 Ca 0.00 -0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 2jgk n SER 44 Cb 0.00 -0.33 0.13 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.33 0.60 -1.75 4.33 5.12 -0.85 -4.88 116.66 117.90 2jgk n ARG 45 Ca 0.13 -0.44 -0.41 0.00 -1.93 0.00 0.00 57.85 55.20 2jgk n ARG 45 Cb 0.26 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.05 2jgk n ARG 45 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2jgk s ARG 46 N -2.70 4.11 0.00 5.56 3.52 -1.20 -1.95 118.95 126.28 2jgk s ARG 46 Ca 0.16 2.61 0.00 0.00 -0.13 0.00 0.00 55.73 58.37 2jgk s ARG 46 Cb 0.18 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 2jgk s ARG 46 CO 0.65 -0.65 0.00 1.19 -0.81 0.00 0.00 175.30 175.67 2jgk n PHE 47 N 2.10 0.00 -4.14 5.12 3.72 -1.26 -4.96 117.46 118.04 2jgk n PHE 47 Ca 0.08 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.22 2jgk n PHE 47 Cb 0.37 -0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.22 2.71 0.41 -1.08 -1.94 -0.82 -4.27 119.30 114.09 2jgk s MET 48 Ca 0.00 -0.99 -0.24 0.00 -1.71 0.00 0.00 55.69 52.75 2jgk s MET 48 Cb 0.00 -2.52 -0.11 0.00 2.01 0.00 0.00 34.83 34.21 2jgk s MET 48 CO 0.00 0.46 0.86 -2.30 -0.01 0.00 0.00 175.02 174.03 2jgk n PRO 49 N -0.38 1.06 -2.40 2.03 -0.02 -1.26 -4.93 135.00 129.10 2jgk n PRO 49 Ca -0.09 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 2jgk n PRO 49 Cb 0.55 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.86 3.80 0.11 0.52 0.04 -1.26 -5.07 135.00 131.28 2jgk s PRO 50 Ca 0.63 1.58 0.07 0.00 0.04 0.00 0.00 61.00 63.33 2jgk s PRO 50 Cb -0.58 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2jgk s PRO 50 CO 0.57 -0.47 -0.07 -1.21 0.04 0.00 0.00 177.00 175.86 2jgk s GLU 51 N -2.87 2.22 0.36 4.56 2.02 -1.26 -5.02 118.70 118.71 2jgk s GLU 51 Ca 0.64 -1.01 -0.28 0.00 0.02 0.00 0.00 54.97 54.35 2jgk s GLU 51 Cb -0.23 -2.34 -0.12 0.00 0.10 0.00 0.00 34.13 31.54 2jgk s GLU 51 CO 0.28 0.50 1.33 -2.30 0.02 0.00 0.00 175.26 175.09 2jgk n PRO 52 N 0.57 2.21 -2.15 0.39 -0.02 -1.26 -1.86 135.00 132.88 2jgk n PRO 52 Ca -0.12 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 2jgk n PRO 52 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.97 4.37 0.45 -0.52 2.47 -1.20 -4.26 119.74 119.08 2jgk s LYS 53 Ca 0.56 2.15 -0.22 0.00 -1.56 0.00 0.00 55.97 56.90 2jgk s LYS 53 Cb -0.54 -3.13 -0.08 0.00 -1.46 0.00 0.00 37.83 32.62 2jgk s LYS 53 CO 0.62 -0.23 1.10 1.03 0.16 0.00 0.00 175.35 178.03 2jgk s ARG 54 N -0.93 3.88 0.92 4.03 0.52 -1.26 -4.92 118.95 121.19 2jgk s ARG 54 Ca 0.53 1.58 -0.13 0.00 -0.52 0.00 0.00 55.73 57.20 2jgk s ARG 54 Cb -0.39 -2.36 0.05 0.00 0.52 0.00 0.00 34.95 32.77 2jgk s ARG 54 CO 0.45 -0.41 0.53 -2.30 0.02 0.00 0.00 175.30 173.60 2jgk n PRO 55 N -0.50 -0.24 -4.31 3.54 -0.02 -1.26 -5.00 135.00 127.20 2jgk n PRO 55 Ca 0.07 -0.02 -0.18 0.00 -2.02 0.00 0.00 63.50 61.35 2jgk n PRO 55 Cb 0.50 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.37 0.97 0.52 6.00 -2.14 0.40 -5.03 118.94 117.29 2jgk s TRP 56 Ca 0.59 -0.29 -0.19 0.00 2.66 0.00 0.00 56.10 58.87 2jgk s TRP 56 Cb -0.23 -0.59 -0.07 0.00 -3.10 0.00 0.00 33.47 29.48 2jgk s TRP 56 CO 0.65 -0.00 1.05 -1.54 -2.66 0.00 0.00 176.95 174.45 2jgk s SER 57 N -0.84 6.12 0.30 -2.66 1.04 -1.26 -4.60 113.70 111.79 2jgk s SER 57 Ca 0.01 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.35 2jgk s SER 57 Cb -0.06 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2jgk s SER 57 CO 0.00 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2jgk n GLY 58 N -0.43 -0.38 3.20 7.32 0.00 -1.26 -4.66 105.19 108.98 2jgk n GLY 58 Ca 0.09 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 2.96 -0.09 1.61 1.01 -1.26 -3.88 120.40 120.75 2jgk s VAL 59 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 2jgk s VAL 59 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2jgk s VAL 59 CO 0.00 0.09 1.05 -0.22 0.00 0.00 0.00 175.10 176.03 2jgk s LEU 60 N 1.31 4.26 -0.21 3.92 2.96 -0.32 -4.86 118.68 125.75 2jgk s LEU 60 Ca -0.02 1.61 -0.29 0.00 -0.22 0.00 0.00 54.13 55.21 2jgk s LEU 60 Cb -0.18 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 2jgk s LEU 60 CO -0.03 -0.47 1.47 -0.62 -1.32 0.00 0.00 176.35 175.38 2jgk s ASP 61 N 1.18 6.61 -0.52 3.68 -1.08 -1.26 -2.46 116.67 122.82 2jgk s ASP 61 Ca 0.50 1.61 0.07 0.00 -0.52 0.00 0.00 52.55 54.22 2jgk s ASP 61 Cb -0.20 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 38.98 2jgk s ASP 61 CO 0.19 -1.06 0.65 0.00 0.52 0.00 0.00 175.17 175.47 2jgk n ALA 62 N 7.68 3.29 -0.80 3.66 0.00 -0.40 -4.77 120.51 129.17 2jgk n ALA 62 Ca 0.17 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.49 2jgk n ALA 62 Cb 0.45 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.05 0.03 -3.88 0.00 -2.24 -1.22 -2.05 114.28 105.97 2jgk n THR 63 Ca 0.26 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 2jgk n THR 63 Cb 0.47 1.66 -0.10 0.00 -2.10 0.00 0.00 70.33 70.26 2jgk n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jgk s THR 64 N -0.03 0.09 0.40 4.28 -1.32 -1.25 -4.84 115.64 112.96 2jgk s THR 64 Ca 0.00 -0.75 -0.26 0.00 -1.21 0.00 0.00 61.69 59.47 2jgk s THR 64 Cb 0.00 -0.46 -0.09 0.00 -1.51 0.00 0.00 72.50 70.44 2jgk s THR 64 CO 0.00 -0.41 1.27 -0.36 -2.21 0.00 0.00 174.62 172.91 2jgk s PHE 65 N -1.51 2.90 0.56 9.09 0.08 -1.26 -3.56 117.98 124.28 2jgk s PHE 65 Ca -0.14 1.45 -0.06 0.00 0.12 0.00 0.00 56.93 58.30 2jgk s PHE 65 Cb -0.07 -3.61 0.12 0.00 -0.57 0.00 0.00 43.02 38.89 2jgk s PHE 65 CO 0.01 -1.88 0.76 1.04 -0.10 0.00 0.00 175.22 175.05 2jgk n GLN 66 N 0.19 -0.36 -1.69 0.44 1.13 -1.26 -4.92 117.38 110.91 2jgk n GLN 66 Ca 0.03 -1.55 -0.38 0.00 -1.94 0.00 0.00 57.00 53.16 2jgk n GLN 66 Cb 0.44 -0.67 0.05 0.00 0.11 0.00 0.00 30.24 30.17 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 -3.26 1.82 -4.78 1.08 3.02 -1.26 -4.80 115.26 107.08 2jgk n ASN 67 Ca 0.11 0.89 -0.39 0.00 -0.03 0.00 0.00 54.58 55.15 2jgk n ASN 67 Cb 0.38 -1.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.00 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 -1.38 4.52 0.65 2.41 1.01 -0.07 -4.66 120.40 122.87 2jgk s VAL 68 Ca 0.75 1.55 -0.18 0.00 0.00 0.00 0.00 61.98 64.10 2jgk s VAL 68 Cb -0.42 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2jgk s VAL 68 CO 0.47 0.51 1.20 0.00 0.00 0.00 0.00 175.10 177.28 2jgk s TYR 70 N -1.46 1.78 0.07 0.00 5.04 -1.23 -4.64 117.35 116.91 2jgk s TYR 70 Ca 0.81 0.08 -0.07 0.00 -2.44 0.00 0.00 57.07 55.44 2jgk s TYR 70 Cb -0.38 -4.01 -0.01 0.00 0.35 0.00 0.00 41.96 37.91 2jgk s TYR 70 CO 0.42 -4.21 0.14 1.14 -1.34 0.00 0.00 175.55 171.71 2jgk s GLN 71 N 4.30 0.76 0.24 4.97 -2.07 -1.26 -4.70 119.66 121.89 2jgk s GLN 71 Ca 0.78 -0.95 -0.31 0.00 -1.82 0.00 0.00 55.36 53.06 2jgk s GLN 71 Cb -0.35 0.30 -0.12 0.00 -1.09 0.00 0.00 33.01 31.75 2jgk s GLN 71 CO 0.33 -0.22 1.68 0.98 -1.32 0.00 0.00 175.29 176.74 2jgk n TYR 72 N 0.14 2.79 -3.65 9.60 4.19 -1.26 -4.99 117.16 123.98 2jgk n TYR 72 Ca -0.16 0.12 -0.36 0.00 3.31 0.00 0.00 57.90 60.81 2jgk n TYR 72 Cb 0.61 -2.65 -0.08 0.00 0.49 0.00 0.00 39.34 37.72 2jgk n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jgk s VAL 73 N 0.75 5.36 -0.02 2.97 1.01 -1.26 -4.88 120.40 124.33 2jgk s VAL 73 Ca 0.71 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 2jgk s VAL 73 Cb -0.50 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2jgk s VAL 73 CO 0.38 0.41 1.21 -0.62 0.00 0.00 0.00 175.10 176.48 2jgk s ASP 74 N 0.50 7.05 -0.06 3.32 -1.08 -1.26 -4.94 116.67 120.21 2jgk s ASP 74 Ca 0.11 1.88 0.09 0.00 -0.52 0.00 0.00 52.55 54.11 2jgk s ASP 74 Cb -0.12 -2.56 0.13 0.00 -1.46 0.00 0.00 42.92 38.91 2jgk s ASP 74 CO 0.01 -0.56 1.02 0.35 0.52 0.00 0.00 175.17 176.52 2jgk n THR 75 N 4.42 1.18 -0.11 1.71 -2.24 -1.26 -4.81 114.28 113.17 2jgk n THR 75 Ca 0.10 -1.35 -0.10 0.00 -2.27 0.00 0.00 64.05 60.43 2jgk n THR 75 Cb 0.46 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.49 -6.79 3.22 5.85 -2.01 -3.34 115.31 112.73 2jgk h LEU 76 Ca 0.00 -0.23 -0.61 0.00 0.84 0.00 0.00 57.88 57.88 2jgk h LEU 76 Cb 0.90 -0.13 -0.41 0.00 0.37 0.00 0.00 40.66 41.39 2jgk h LEU 76 CO 0.00 0.59 -0.67 -1.22 -0.34 0.00 0.00 178.44 176.81 2jgk n TYR 77 N -4.64 2.41 -1.73 1.25 4.01 -1.26 -5.10 117.16 112.09 2jgk n TYR 77 Ca -0.02 -4.08 -0.42 0.00 -0.16 0.00 0.00 57.90 53.22 2jgk n TYR 77 Cb 0.19 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.76 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 1.94 2.70 -0.77 -0.72 -0.02 -1.25 -1.96 135.00 134.91 2jgk n PRO 78 Ca 0.23 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 2jgk n PRO 78 Cb 0.39 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 2jgk n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgk n GLY 79 N 2.82 1.08 3.65 -1.23 0.00 -1.26 -4.99 105.19 105.26 2jgk n GLY 79 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.35 3.35 0.39 1.61 5.36 -0.83 -4.95 117.98 119.56 2jgk s PHE 80 Ca 0.00 1.19 0.09 0.00 -0.96 0.00 0.00 56.93 57.26 2jgk s PHE 80 Cb 0.00 -3.04 0.81 0.00 -0.34 0.00 0.00 43.02 40.44 2jgk s PHE 80 CO 0.00 -0.34 1.94 1.49 -1.46 0.00 0.00 175.22 176.85 2jgk h GLU 81 N 7.54 0.28 -1.00 10.12 4.81 -1.94 -0.11 114.58 134.28 2jgk h GLU 81 Ca -0.25 -0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.13 2jgk h GLU 81 Cb 1.11 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.33 2jgk h GLU 81 CO 0.86 0.36 0.60 0.78 -0.73 0.00 0.00 179.01 180.88 2jgk h GLY 82 N 0.68 1.81 0.34 1.92 0.00 -1.92 -2.53 103.07 103.37 2jgk h GLY 82 Ca 0.06 -0.34 -0.35 0.00 0.00 0.00 0.00 47.33 46.70 2jgk h GLY 82 CO 0.01 -0.12 -2.17 -1.30 0.00 0.00 0.00 176.54 172.96 2jgk n THR 83 N -4.81 1.53 0.10 4.70 -2.24 -0.64 -4.47 114.28 108.44 2jgk n THR 83 Ca 0.24 -0.75 0.03 0.00 -2.27 0.00 0.00 64.05 61.30 2jgk n THR 83 Cb 0.62 -1.00 0.40 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.01 0.30 0.00 -0.78 4.39 -0.88 -2.58 114.58 115.04 2jgk h GLU 84 Ca -0.47 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.17 2jgk h GLU 84 Cb 2.08 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.69 2jgk h GLU 84 CO 0.03 0.37 -0.02 0.00 -1.16 0.00 0.00 179.01 178.22 2jgk h MET 85 N 0.29 0.00 0.00 2.33 -0.00 -1.68 0.14 114.93 116.01 2jgk h MET 85 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2jgk h MET 85 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.89 2jgk h MET 85 CO 0.01 0.02 -0.94 0.91 -0.00 0.00 0.00 176.91 176.91 2jgk n TRP 86 N -3.50 0.62 -2.16 -0.10 7.02 -0.97 -4.71 117.44 113.64 2jgk n TRP 86 Ca -0.03 0.18 -0.33 0.00 -1.02 0.00 0.00 57.50 56.30 2jgk n TRP 86 Cb 0.12 -0.71 0.00 0.00 -2.42 0.00 0.00 31.31 28.30 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 -4.61 5.87 0.25 -0.99 0.01 0.48 -4.63 114.94 111.33 2jgk s ASN 87 Ca 0.02 1.88 -0.31 0.00 -0.71 0.00 0.00 52.86 53.74 2jgk s ASN 87 Cb 0.12 -2.54 -0.13 0.00 0.41 0.00 0.00 41.25 39.11 2jgk s ASN 87 CO 0.78 -1.11 1.49 -2.65 -1.51 0.00 0.00 177.10 174.10 2jgk n PRO 88 N -1.75 2.29 -0.29 -0.60 -0.02 -1.26 -4.89 135.00 128.48 2jgk n PRO 88 Ca 0.09 0.82 0.07 0.00 -2.02 0.00 0.00 63.50 62.46 2jgk n PRO 88 Cb 0.53 -2.53 0.20 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.26 3.29 -3.92 2.55 6.94 -1.26 -4.99 115.26 120.14 2jgk n ASN 89 Ca 0.11 -2.67 -0.12 0.00 -0.02 0.00 0.00 54.58 51.87 2jgk n ASN 89 Cb 0.33 -0.40 -0.08 0.00 -2.36 0.00 0.00 39.78 37.27 2jgk n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jgk s ARG 90 N -2.19 1.46 0.20 -3.83 1.81 -1.26 -5.09 118.95 110.05 2jgk s ARG 90 Ca 0.33 -1.58 -0.33 0.00 -1.72 0.00 0.00 55.73 52.43 2jgk s ARG 90 Cb 0.25 0.36 -0.14 0.00 -0.45 0.00 0.00 34.95 34.97 2jgk s ARG 90 CO 0.09 -0.55 1.39 0.39 -0.68 0.00 0.00 175.30 175.95 2jgk n GLU 91 N -0.38 1.82 -2.52 3.54 -0.58 -1.26 -4.55 120.64 116.71 2jgk n GLU 91 Ca 0.01 0.65 -0.39 0.00 -0.42 0.00 0.00 57.16 57.01 2jgk n GLU 91 Cb 0.64 -2.30 -0.04 0.00 -0.57 0.00 0.00 31.44 29.16 2jgk n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jgk s LEU 92 N 0.40 4.45 -0.29 -4.62 1.43 -1.26 -0.89 118.68 117.89 2jgk s LEU 92 Ca 0.73 2.17 -0.22 0.00 -1.03 0.00 0.00 54.13 55.78 2jgk s LEU 92 Cb -0.72 -3.78 0.14 0.00 0.03 0.00 0.00 46.19 41.86 2jgk s LEU 92 CO 0.47 -0.21 1.07 -0.55 0.23 0.00 0.00 176.35 177.37 2jgk s SER 93 N -1.10 -0.41 0.63 2.29 0.15 -0.34 -4.88 113.70 110.04 2jgk s SER 93 Ca 0.48 0.74 0.37 0.00 0.70 0.00 0.00 55.95 58.24 2jgk s SER 93 Cb -0.29 0.88 2.11 0.00 -1.71 0.00 0.00 66.02 67.01 2jgk s SER 93 CO 0.36 -0.12 2.30 -0.33 1.20 0.00 0.00 173.24 176.65 2jgk h GLU 94 N 4.62 0.00 -5.70 5.44 5.08 -1.93 -3.27 114.58 118.81 2jgk h GLU 94 Ca -0.28 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.47 2jgk h GLU 94 Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2jgk h GLU 94 CO 0.14 0.00 0.86 0.34 -1.00 0.00 0.00 179.01 179.36 2jgk s ASP 95 N -5.66 6.30 0.00 1.42 2.15 -1.26 -4.38 116.67 115.24 2jgk s ASP 95 Ca -0.05 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 51.83 2jgk s ASP 95 Cb 0.14 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2jgk s ASP 95 CO 0.48 -1.49 0.00 0.00 -0.17 0.00 0.00 175.17 173.99 2jgk n LEU 97 N 0.00 4.49 -4.12 0.00 4.77 -1.26 -4.59 117.00 116.29 2jgk n LEU 97 Ca 0.00 -3.60 -0.20 0.00 -0.03 0.00 0.00 56.01 52.18 2jgk n LEU 97 Cb 0.18 -1.67 -0.14 0.00 -2.33 0.00 0.00 43.42 39.47 2jgk n LEU 97 CO 0.00 -0.43 -0.46 -0.31 -1.33 0.00 0.00 177.39 174.87 2jgk s TYR 98 N 6.40 1.16 0.38 -1.77 2.02 -1.26 -2.45 117.35 121.84 2jgk s TYR 98 Ca 0.58 -0.33 0.08 0.00 -0.37 0.00 0.00 57.07 57.04 2jgk s TYR 98 Cb 0.05 -0.70 -0.07 0.00 -0.40 0.00 0.00 41.96 40.84 2jgk s TYR 98 CO 0.08 0.02 -0.03 -0.48 -1.57 0.00 0.00 175.55 173.57 2jgk s LEU 99 N -0.97 2.83 0.01 -1.29 0.05 0.38 -1.34 118.68 118.35 2jgk s LEU 99 Ca 0.02 -1.27 0.03 0.00 0.05 0.00 0.00 54.13 52.96 2jgk s LEU 99 Cb -0.07 -0.98 -0.01 0.00 -2.05 0.00 0.00 46.19 43.07 2jgk s LEU 99 CO 0.01 -0.34 -0.10 0.20 -0.55 0.00 0.00 176.35 175.56 2jgk s ASN 100 N -3.68 1.20 -0.14 1.48 0.01 0.11 -0.76 114.94 113.17 2jgk s ASN 100 Ca 0.34 -0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.22 2jgk s ASN 100 Cb 0.06 -0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.64 2jgk s ASN 100 CO 0.18 0.06 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.96 2jgk s VAL 101 N -0.51 1.77 -0.14 1.60 1.01 -0.99 -1.10 120.40 122.04 2jgk s VAL 101 Ca 0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 2jgk s VAL 101 Cb -0.05 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2jgk s VAL 101 CO 0.00 0.49 0.09 0.26 0.00 0.00 0.00 175.10 175.95 2jgk s TRP 102 N 1.15 3.41 0.03 5.22 0.51 0.49 -0.71 118.94 129.05 2jgk s TRP 102 Ca -0.01 0.34 -0.00 0.00 -2.12 0.00 0.00 56.10 54.31 2jgk s TRP 102 Cb -0.14 -1.97 -0.03 0.00 -0.81 0.00 0.00 33.47 30.52 2jgk s TRP 102 CO -0.07 0.50 -0.04 0.95 -0.51 0.00 0.00 176.95 177.79 2jgk s THR 103 N -0.51 0.19 0.47 2.01 -4.23 -0.52 -0.90 115.64 112.14 2jgk s THR 103 Ca 0.11 -1.18 -0.23 0.00 -1.18 0.00 0.00 61.69 59.22 2jgk s THR 103 Cb -0.12 -0.64 -0.09 0.00 1.34 0.00 0.00 72.50 72.99 2jgk s THR 103 CO 0.02 -0.62 0.94 -0.81 -0.54 0.00 0.00 174.62 173.60 2jgk n PRO 104 N 1.17 1.16 -4.09 3.99 -0.04 -1.26 -0.11 135.00 135.82 2jgk n PRO 104 Ca -0.21 0.42 -0.32 0.00 -0.04 0.00 0.00 63.50 63.35 2jgk n PRO 104 Cb 0.57 -2.01 -0.16 0.00 -0.04 0.00 0.00 33.50 31.86 2jgk n PRO 104 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2jgk s TYR 105 N -1.37 2.83 0.67 0.54 5.04 -1.14 -2.24 117.35 121.69 2jgk s TYR 105 Ca 0.66 -1.79 -0.16 0.00 -2.44 0.00 0.00 57.07 53.34 2jgk s TYR 105 Cb -0.52 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 39.92 2jgk s TYR 105 CO 0.55 -0.81 1.15 -1.25 -1.34 0.00 0.00 175.55 173.85 2jgk s PRO 106 N 1.26 2.61 0.06 4.97 0.04 -1.26 -4.57 135.00 138.12 2jgk s PRO 106 Ca 0.01 1.58 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 2jgk s PRO 106 Cb -0.15 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2jgk s PRO 106 CO -0.10 -1.43 1.23 -0.98 0.04 0.00 0.00 177.00 175.75 2jgk s ARG 107 N -3.90 4.41 -0.03 4.56 1.70 -0.95 -4.83 118.95 119.90 2jgk s ARG 107 Ca 0.71 1.81 -0.10 0.00 -0.47 0.00 0.00 55.73 57.69 2jgk s ARG 107 Cb -0.25 -3.34 -0.05 0.00 -0.57 0.00 0.00 34.95 30.75 2jgk s ARG 107 CO 0.41 -0.29 0.28 -2.30 -1.08 0.00 0.00 175.30 172.32 2jgk n PRO 108 N 3.99 0.00 -0.18 3.89 -0.01 -1.26 -4.92 135.00 136.51 2jgk n PRO 108 Ca 0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 63.50 63.49 2jgk n PRO 108 Cb 0.46 -0.34 0.01 0.00 -0.01 0.00 0.00 33.50 33.61 2jgk n PRO 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jgk h ALA 109 N 0.82 0.70 -2.14 3.55 0.00 -1.94 -3.45 119.26 116.81 2jgk h ALA 109 Ca -0.11 -0.30 -0.50 0.00 0.00 0.00 0.00 54.91 54.00 2jgk h ALA 109 Cb 0.32 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 2jgk h ALA 109 CO 0.17 0.53 -0.71 -1.54 0.00 0.00 0.00 179.25 177.70 2jgk s SER 110 N -6.43 2.90 -0.20 0.00 1.04 -1.26 -5.09 113.70 104.65 2jgk s SER 110 Ca -0.12 -1.10 -0.37 0.00 0.48 0.00 0.00 55.95 54.84 2jgk s SER 110 Cb 0.12 -0.19 -0.13 0.00 0.10 0.00 0.00 66.02 65.92 2jgk s SER 110 CO 0.83 -0.20 1.85 -2.65 0.98 0.00 0.00 173.24 174.05 2jgk n PRO 111 N -0.53 1.63 -3.55 4.02 -0.02 -1.26 -4.91 135.00 130.38 2jgk n PRO 111 Ca -0.06 0.59 -0.37 0.00 -2.02 0.00 0.00 63.50 61.63 2jgk n PRO 111 Cb 0.62 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2jgk n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jgk s THR 112 N 4.17 5.22 0.26 3.45 2.01 0.17 -4.67 115.64 126.25 2jgk s THR 112 Ca 0.97 0.65 -0.29 0.00 0.31 0.00 0.00 61.69 63.33 2jgk s THR 112 Cb -0.87 -3.64 -0.15 0.00 0.01 0.00 0.00 72.50 67.85 2jgk s THR 112 CO 0.58 0.49 0.97 -0.81 -0.69 0.00 0.00 174.62 175.16 2jgk n PRO 113 N 2.65 1.17 -4.33 4.92 -0.04 -1.26 0.42 135.00 138.54 2jgk n PRO 113 Ca -0.13 0.41 -0.35 0.00 -0.04 0.00 0.00 63.50 63.39 2jgk n PRO 113 Cb 0.52 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 2jgk n PRO 113 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jgk s VAL 114 N -0.94 4.28 -0.15 0.52 1.01 -0.17 -3.30 120.40 121.65 2jgk s VAL 114 Ca 0.61 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 2jgk s VAL 114 Cb -0.75 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2jgk s VAL 114 CO 0.59 0.56 0.01 -0.76 0.00 0.00 0.00 175.10 175.49 2jgk s LEU 115 N -0.39 3.52 -0.23 3.92 1.02 -0.38 -0.84 118.68 125.31 2jgk s LEU 115 Ca 0.07 0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.20 2jgk s LEU 115 Cb -0.12 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.24 2jgk s LEU 115 CO 0.02 0.22 -0.06 -0.63 0.02 0.00 0.00 176.35 175.92 2jgk s ILE 116 N 0.08 3.08 0.21 -0.59 1.01 0.50 -0.21 121.20 125.29 2jgk s ILE 116 Ca 0.02 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 59.78 2jgk s ILE 116 Cb -0.13 -2.46 -0.08 0.00 0.01 0.00 0.00 42.46 39.80 2jgk s ILE 116 CO 0.02 0.34 0.62 0.86 0.00 0.00 0.00 174.94 176.77 2jgk s TRP 117 N 1.40 3.54 -0.16 3.97 -0.11 0.15 -0.73 118.94 127.00 2jgk s TRP 117 Ca 0.04 1.12 -0.02 0.00 1.22 0.00 0.00 56.10 58.46 2jgk s TRP 117 Cb -0.15 -2.43 0.05 0.00 -1.50 0.00 0.00 33.47 29.44 2jgk s TRP 117 CO -0.05 0.32 0.00 0.42 -4.62 0.00 0.00 176.95 173.03 2jgk s ILE 118 N -1.64 0.67 0.61 5.86 1.01 -0.22 -3.90 121.20 123.59 2jgk s ILE 118 Ca 0.44 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 2jgk s ILE 118 Cb -0.14 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2jgk s ILE 118 CO 0.20 -0.02 1.14 -0.72 0.00 0.00 0.00 174.94 175.54 2jgk s TYR 119 N 1.81 2.56 0.00 3.97 -0.85 -1.26 -3.40 117.35 120.17 2jgk s TYR 119 Ca 0.01 1.55 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 2jgk s TYR 119 Cb -0.16 -3.29 0.00 0.00 0.38 0.00 0.00 41.96 38.90 2jgk s TYR 119 CO -0.07 -1.80 0.00 0.41 -1.52 0.00 0.00 175.55 172.57 2jgk n GLY 120 N -0.03 0.49 0.00 5.49 0.00 -1.18 -2.96 105.19 107.00 2jgk n GLY 120 Ca 0.12 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 1.66 2.23 -0.02 0.00 -1.26 -4.33 105.19 108.46 2jgk n GLY 121 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.69 0.74 2.46 -0.02 0.00 -1.26 -1.20 105.19 105.23 2jgk n GLY 122 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.53 0.00 -0.11 1.61 3.72 -1.26 -4.82 117.46 114.07 2jgk n PHE 123 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2jgk n PHE 123 Cb 0.54 -1.91 0.00 0.00 -0.94 0.00 0.00 39.48 37.17 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 -2.54 0.00 -4.08 1.38 0.18 -0.34 -0.51 117.16 111.26 2jgk n TYR 124 Ca -0.08 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.56 2jgk n TYR 124 Cb 0.38 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.30 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 -0.44 0.87 0.00 9.48 1.04 -0.71 -4.02 113.70 119.91 2jgk s SER 125 Ca 0.00 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2jgk s SER 125 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2jgk s SER 125 CO 0.00 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.53 2jgk n GLY 126 N -0.56 2.89 3.31 7.32 0.00 -1.26 -4.37 105.19 112.52 2jgk n GLY 126 Ca 0.01 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.71 -1.05 -0.69 4.61 0.00 -1.26 -4.67 121.76 115.99 2jgk s ALA 127 Ca 0.00 0.65 0.21 0.00 0.00 0.00 0.00 51.96 52.82 2jgk s ALA 127 Cb 0.00 -0.02 0.86 0.00 0.00 0.00 0.00 23.12 23.96 2jgk s ALA 127 CO 0.00 -0.28 1.64 0.00 0.00 0.00 0.00 175.76 177.12 2jgk n ALA 128 N 1.34 1.73 1.13 0.00 0.00 -1.26 -3.67 120.51 119.78 2jgk n ALA 128 Ca -0.20 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2jgk n ALA 128 Cb 0.56 -1.35 0.31 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.97 2.33 -4.74 0.00 3.41 -1.26 -4.80 113.62 106.60 2jgk n SER 129 Ca 0.03 -1.78 -0.33 0.00 -0.26 0.00 0.00 58.87 56.53 2jgk n SER 129 Cb 0.23 -0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.22 2jgk n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jgk s LEU 130 N -1.89 3.27 0.27 1.04 1.43 -1.24 -4.93 118.68 116.64 2jgk s LEU 130 Ca 0.34 2.14 -0.01 0.00 -1.03 0.00 0.00 54.13 55.58 2jgk s LEU 130 Cb 0.20 -4.57 0.39 0.00 0.03 0.00 0.00 46.19 42.25 2jgk s LEU 130 CO 0.31 -2.07 1.78 0.44 0.23 0.00 0.00 176.35 177.04 2jgk h ASP 131 N -0.40 0.69 0.32 2.29 3.32 -1.92 -2.47 116.42 118.26 2jgk h ASP 131 Ca -0.46 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.42 2jgk h ASP 131 Cb 1.27 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2jgk h ASP 131 CO 0.51 0.77 0.00 1.33 -1.72 0.00 0.00 179.24 180.13 2jgk n VAL 132 N -4.22 0.31 -1.14 -1.35 0.24 -1.26 -2.38 118.33 108.53 2jgk n VAL 132 Ca 0.02 0.08 0.05 0.00 -2.04 0.00 0.00 64.34 62.45 2jgk n VAL 132 Cb 0.30 -0.74 0.23 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.24 0.84 -1.85 6.34 4.01 -0.93 -4.51 117.16 119.83 2jgk n TYR 133 Ca 0.11 -1.10 -0.42 0.00 -0.16 0.00 0.00 57.90 56.32 2jgk n TYR 133 Cb 0.15 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.25 6.56 0.00 7.72 -1.08 -1.00 -4.88 116.67 121.74 2jgk s ASP 134 Ca 0.41 2.46 0.17 0.00 -0.52 0.00 0.00 52.55 55.07 2jgk s ASP 134 Cb 0.35 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.93 2jgk s ASP 134 CO 0.05 -0.98 1.47 0.61 0.52 0.00 0.00 175.17 176.84 2jgk n GLY 135 N 4.30 0.12 0.13 2.66 0.00 -1.26 -4.44 105.19 106.71 2jgk n GLY 135 Ca 0.18 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 1.75 0.36 0.36 1.61 0.11 -1.89 -2.55 114.38 114.12 2jgk h ARG 136 Ca 0.00 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 2jgk h ARG 136 Cb 0.39 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2jgk h ARG 136 CO 0.00 0.50 -0.17 0.74 0.10 0.00 0.00 179.97 181.14 2jgk h PHE 137 N 0.16 -0.45 -0.65 4.08 0.04 -1.77 0.50 116.94 118.84 2jgk h PHE 137 Ca 0.07 -0.01 0.19 0.00 2.80 0.00 0.00 57.97 61.01 2jgk h PHE 137 Cb 0.32 0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 2jgk h PHE 137 CO 0.02 -0.15 0.48 -0.07 -0.60 0.00 0.00 178.31 177.99 2jgk h LEU 138 N -0.72 0.00 0.11 1.54 3.38 -1.67 0.46 115.31 118.41 2jgk h LEU 138 Ca -0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2jgk h LEU 138 Cb 0.50 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.27 2jgk h LEU 138 CO 0.08 0.00 -0.75 0.00 0.09 0.00 0.00 178.44 177.86 2jgk h ALA 139 N 1.65 -0.05 0.56 1.53 0.00 -1.10 -2.98 119.26 118.87 2jgk h ALA 139 Ca 0.31 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jgk h ALA 139 Cb 1.26 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2jgk h ALA 139 CO -0.00 0.36 -0.27 0.37 0.00 0.00 0.00 179.25 179.71 2jgk h GLN 140 N -0.32 -0.72 0.00 0.00 -0.00 -0.00 -1.40 115.11 112.67 2jgk h GLN 140 Ca -0.12 0.05 -0.12 0.00 -0.00 0.00 0.00 58.65 58.45 2jgk h GLN 140 Cb 1.55 0.16 -0.02 0.00 0.00 0.00 0.00 27.48 29.18 2jgk h GLN 140 CO 0.14 -0.45 -0.59 0.28 0.00 0.00 0.00 178.83 178.21 2jgk h VAL 141 N -1.16 1.38 -0.00 2.39 2.07 -1.14 -3.29 116.25 116.50 2jgk h VAL 141 Ca -0.08 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.40 2jgk h VAL 141 Cb 0.60 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2jgk h VAL 141 CO 0.13 0.58 0.00 -0.62 0.02 0.00 0.00 177.57 177.67 2jgk n GLU 142 N -3.77 -0.47 -3.25 1.57 -0.58 -1.17 -5.00 120.64 107.97 2jgk n GLU 142 Ca -0.01 -0.65 -0.23 0.00 -0.42 0.00 0.00 57.16 55.84 2jgk n GLU 142 Cb 0.60 -1.01 0.05 0.00 -0.57 0.00 0.00 31.44 30.50 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 -0.01 -0.53 3.86 0.62 0.00 -0.53 -4.98 105.19 103.61 2jgk n GLY 143 Ca 0.00 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.21 3.71 -0.30 4.61 0.00 -1.13 -4.82 121.76 120.61 2jgk s ALA 144 Ca 0.41 -0.32 -0.28 0.00 0.00 0.00 0.00 51.96 51.78 2jgk s ALA 144 Cb -0.18 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.63 2jgk s ALA 144 CO 0.50 0.53 1.00 0.08 0.00 0.00 0.00 175.76 177.87 2jgk s VAL 145 N -1.28 4.61 -0.14 0.00 1.01 -1.21 -4.13 120.40 119.25 2jgk s VAL 145 Ca 0.30 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.93 2jgk s VAL 145 Cb -0.15 -4.33 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 2jgk s VAL 145 CO 0.16 -0.37 -0.16 -0.22 0.00 0.00 0.00 175.10 174.50 2jgk s LEU 146 N 3.41 2.46 -0.06 3.92 0.20 -0.08 -1.25 118.68 127.27 2jgk s LEU 146 Ca 0.42 -0.46 0.04 0.00 0.69 0.00 0.00 54.13 54.82 2jgk s LEU 146 Cb -0.13 -1.55 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2jgk s LEU 146 CO 0.13 0.11 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.44 2jgk s VAL 147 N 0.67 2.84 0.05 1.68 1.01 0.71 -0.38 120.40 126.98 2jgk s VAL 147 Ca -0.08 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2jgk s VAL 147 Cb -0.16 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2jgk s VAL 147 CO 0.02 0.58 -0.11 -0.94 0.00 0.00 0.00 175.10 174.65 2jgk s SER 148 N -0.45 1.22 0.11 3.32 1.04 -0.26 0.30 113.70 118.98 2jgk s SER 148 Ca 0.05 -0.54 0.06 0.00 0.48 0.00 0.00 55.95 56.01 2jgk s SER 148 Cb -0.12 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 2jgk s SER 148 CO 0.02 -0.12 -0.16 0.00 0.98 0.00 0.00 173.24 173.96 2jgk s MET 149 N -1.50 1.03 0.25 4.02 0.23 -1.25 0.09 119.30 122.17 2jgk s MET 149 Ca -0.05 -1.19 -0.22 0.00 -1.03 0.00 0.00 55.69 53.20 2jgk s MET 149 Cb -0.09 -1.02 -0.09 0.00 -1.53 0.00 0.00 34.83 32.10 2jgk s MET 149 CO 0.01 0.21 0.79 -0.80 -2.03 0.00 0.00 175.02 173.20 2jgk s ASN 150 N -2.24 7.15 0.05 -1.18 0.01 -0.45 -4.38 114.94 113.90 2jgk s ASN 150 Ca 0.07 1.55 0.03 0.00 -0.71 0.00 0.00 52.86 53.80 2jgk s ASN 150 Cb -0.07 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 2jgk s ASN 150 CO 0.03 0.00 -0.09 -0.72 -1.51 0.00 0.00 177.10 174.82 2jgk s TYR 151 N -1.55 0.79 0.23 2.20 1.13 -1.26 -4.49 117.35 114.40 2jgk s TYR 151 Ca 0.45 -0.50 -0.31 0.00 -1.41 0.00 0.00 57.07 55.30 2jgk s TYR 151 Cb -0.17 -0.46 -0.11 0.00 -1.10 0.00 0.00 41.96 40.11 2jgk s TYR 151 CO 0.22 -0.05 1.62 1.03 -2.51 0.00 0.00 175.55 175.85 2jgk s ARG 152 N -1.64 4.16 0.42 -3.49 0.52 -1.26 -4.84 118.95 112.81 2jgk s ARG 152 Ca -0.08 2.52 0.07 0.00 -0.52 0.00 0.00 55.73 57.72 2jgk s ARG 152 Cb -0.10 -3.08 -0.07 0.00 0.52 0.00 0.00 34.95 32.23 2jgk s ARG 152 CO 0.01 -0.65 0.08 0.14 0.02 0.00 0.00 175.30 174.90 2jgk s VAL 153 N 0.66 2.07 0.00 3.52 -7.23 -1.26 -4.18 120.40 113.98 2jgk s VAL 153 Ca 0.68 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2jgk s VAL 153 Cb -0.47 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.52 2jgk s VAL 153 CO 0.38 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 2jgk n GLY 154 N -1.09 2.07 0.22 2.32 0.00 0.33 -2.52 105.19 106.53 2jgk n GLY 154 Ca -0.04 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.55 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 1.06 0.00 2.61 1.35 -1.89 0.73 112.91 116.78 2jgk h THR 155 Ca 0.00 -0.73 -0.07 0.00 -0.55 0.00 0.00 66.41 65.07 2jgk h THR 155 Cb 0.00 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2jgk h THR 155 CO 0.00 0.20 -0.33 -0.26 -0.25 0.00 0.00 175.52 174.88 2jgk h PHE 156 N 0.00 0.00 0.00 4.73 0.04 -1.86 -2.74 116.94 117.11 2jgk h PHE 156 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 2jgk h PHE 156 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2jgk h PHE 156 CO 0.00 0.33 -1.66 0.41 -0.60 0.00 0.00 178.31 176.79 2jgk n GLY 157 N 0.05 -0.58 0.00 -1.45 0.00 -0.80 -4.15 105.19 98.26 2jgk n GLY 157 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2jgk n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgk n PHE 158 N -2.12 0.00 -1.83 1.61 3.72 0.18 -0.42 117.46 118.60 2jgk n PHE 158 Ca -0.08 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.89 2jgk n PHE 158 Cb 0.53 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 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 3.92 0.08 4.37 0.20 -1.03 -4.46 118.68 121.54 2jgk s LEU 159 Ca 0.00 2.01 0.08 0.00 0.69 0.00 0.00 54.13 56.92 2jgk s LEU 159 Cb 0.00 -3.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.20 2jgk s LEU 159 CO 0.00 -1.41 -0.20 0.00 -0.29 0.00 0.00 176.35 174.45 2jgk s ALA 160 N 5.94 2.57 -0.70 5.97 0.00 -1.26 -4.38 121.76 129.90 2jgk s ALA 160 Ca 0.85 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 51.57 2jgk s ALA 160 Cb -0.33 -0.64 0.18 0.00 0.00 0.00 0.00 23.12 22.34 2jgk s ALA 160 CO 0.35 0.57 0.55 1.28 0.00 0.00 0.00 175.76 178.50 2jgk n LEU 161 N 1.20 3.18 -4.54 0.00 4.77 -0.28 -3.99 117.00 117.34 2jgk n LEU 161 Ca -0.16 -5.26 -0.44 0.00 -0.03 0.00 0.00 56.01 50.12 2jgk n LEU 161 Cb 0.52 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2jgk n LEU 161 CO 0.27 1.81 0.41 -2.65 -1.33 0.00 0.00 177.39 175.90 2jgk n PRO 162 N 1.75 1.04 0.00 3.23 -0.02 -1.26 -1.99 135.00 137.75 2jgk n PRO 162 Ca 0.22 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2jgk n PRO 162 Cb 0.36 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 1.41 2.79 3.81 -1.23 0.00 -1.26 -5.03 105.19 105.68 2jgk n GLY 163 Ca 0.11 0.00 -0.29 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 -1.65 4.03 -0.04 1.61 1.04 -0.84 -5.01 113.70 112.85 2jgk s SER 164 Ca 0.00 1.06 0.14 0.00 0.48 0.00 0.00 55.95 57.63 2jgk s SER 164 Cb 0.00 -1.68 -0.21 0.00 0.10 0.00 0.00 66.02 64.22 2jgk s SER 164 CO 0.00 -2.23 0.62 -1.14 0.98 0.00 0.00 173.24 171.46 2jgk n ARG 165 N -3.57 0.64 -0.09 4.02 0.63 -1.26 -4.28 116.66 112.75 2jgk n ARG 165 Ca 0.07 0.24 0.10 0.00 -0.92 0.00 0.00 57.85 57.34 2jgk n ARG 165 Cb 0.58 -1.76 0.14 0.00 0.45 0.00 0.00 32.46 31.88 2jgk n ARG 165 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2jgk n GLU 166 N -2.96 2.13 -2.75 -0.14 0.00 -1.26 -4.52 120.64 111.14 2jgk n GLU 166 Ca -0.17 -1.96 -0.05 0.00 0.00 0.00 0.00 57.16 54.98 2jgk n GLU 166 Cb 1.01 -1.43 0.03 0.00 0.00 0.00 0.00 31.44 31.05 2jgk n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgk n ALA 167 N 1.24 -1.78 1.64 -1.84 0.00 -1.26 -4.60 120.51 113.91 2jgk n ALA 167 Ca 0.15 -1.13 0.14 0.00 0.00 0.00 0.00 53.44 52.59 2jgk n ALA 167 Cb 0.54 -1.50 0.62 0.00 0.00 0.00 0.00 19.45 19.11 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 2.43 1.43 -0.31 0.00 -0.04 -1.26 -1.13 135.00 136.12 2jgk n PRO 168 Ca 0.14 -0.63 0.04 0.00 -0.04 0.00 0.00 63.50 63.01 2jgk n PRO 168 Cb 0.59 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 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 1.08 -2.71 2.24 0.55 0.00 -1.26 -4.67 105.19 100.42 2jgk n GLY 169 Ca 0.19 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.54 -3.90 0.12 1.61 3.02 -1.26 -4.93 115.26 107.37 2jgk n ASN 170 Ca -0.02 0.18 -0.02 0.00 -0.03 0.00 0.00 54.58 54.70 2jgk n ASN 170 Cb 0.15 -2.30 0.20 0.00 -0.61 0.00 0.00 39.78 37.22 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 1.36 -0.09 2.41 -1.51 -1.77 -1.18 116.25 115.46 2jgk h VAL 171 Ca -0.18 -1.78 0.02 0.00 -1.23 0.00 0.00 66.70 63.53 2jgk h VAL 171 Cb 0.64 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 31.70 2jgk h VAL 171 CO 0.26 0.52 0.07 1.23 -1.23 0.00 0.00 177.57 178.41 2jgk h GLY 172 N 1.45 0.05 1.89 5.19 0.00 -0.94 0.10 103.07 110.82 2jgk h GLY 172 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 47.33 47.10 2jgk h GLY 172 CO 0.07 0.02 -0.99 1.41 0.00 0.00 0.00 176.54 177.05 2jgk h LEU 173 N 0.05 0.12 -0.63 3.11 3.38 -1.50 -3.06 115.31 116.78 2jgk h LEU 173 Ca 0.04 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 2jgk h LEU 173 Cb 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2jgk h LEU 173 CO -0.00 1.03 -0.54 -0.07 0.09 0.00 0.00 178.44 178.96 2jgk h LEU 174 N 0.03 0.46 0.08 1.67 3.38 -0.48 -0.76 115.31 119.69 2jgk h LEU 174 Ca -0.04 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2jgk h LEU 174 Cb 1.70 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 2jgk h LEU 174 CO 0.14 0.91 -0.38 0.44 0.09 0.00 0.00 178.44 179.64 2jgk h ASP 175 N 0.32 -1.12 -0.34 -0.43 3.32 -0.92 -0.47 116.42 116.78 2jgk h ASP 175 Ca 0.01 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.26 2jgk h ASP 175 Cb 1.04 0.43 -0.08 0.00 0.22 0.00 0.00 39.33 40.95 2jgk h ASP 175 CO 0.09 -0.45 -0.17 1.56 -1.72 0.00 0.00 179.24 178.56 2jgk h GLN 176 N -0.58 -0.11 -0.33 3.56 4.20 -1.40 -1.83 115.11 118.62 2jgk h GLN 176 Ca 0.04 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.82 2jgk h GLN 176 Cb 0.63 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 2jgk h GLN 176 CO -0.25 -0.07 -0.12 -0.09 -0.67 0.00 0.00 178.83 177.63 2jgk h ARG 177 N -0.11 -0.05 -0.54 1.46 2.43 -0.84 -1.63 114.38 115.10 2jgk h ARG 177 Ca 0.17 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2jgk h ARG 177 Cb 0.38 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2jgk h ARG 177 CO -0.42 -0.03 0.36 1.25 -1.51 0.00 0.00 179.97 179.62 2jgk h LEU 178 N -0.05 0.49 -0.43 3.80 5.85 -0.30 0.27 115.31 124.94 2jgk h LEU 178 Ca 0.16 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2jgk h LEU 178 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2jgk h LEU 178 CO -0.36 0.33 0.17 0.00 -0.34 0.00 0.00 178.44 178.24 2jgk h ALA 179 N 1.70 0.56 -0.33 1.25 0.00 -0.62 0.38 119.26 122.20 2jgk h ALA 179 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2jgk h ALA 179 Cb 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jgk h ALA 179 CO -0.06 0.17 0.10 -0.07 0.00 0.00 0.00 179.25 179.39 2jgk h LEU 180 N 0.55 0.09 -0.76 0.00 3.38 0.05 0.16 115.31 118.78 2jgk h LEU 180 Ca 0.14 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.25 2jgk h LEU 180 Cb 0.20 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2jgk h LEU 180 CO -0.01 0.08 0.40 1.56 0.09 0.00 0.00 178.44 180.56 2jgk h GLN 181 N 0.23 0.65 -0.76 1.13 4.20 -0.20 -1.55 115.11 118.80 2jgk h GLN 181 Ca 0.15 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2jgk h GLN 181 Cb 0.14 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2jgk h GLN 181 CO -0.17 0.43 0.42 2.35 -0.67 0.00 0.00 178.83 181.19 2jgk h TRP 182 N 0.67 1.02 -0.35 2.96 7.01 0.83 -2.17 115.95 125.92 2jgk h TRP 182 Ca 0.38 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.28 2jgk h TRP 182 Cb 0.39 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 2jgk h TRP 182 CO -0.09 0.70 -0.11 0.28 -2.79 0.00 0.00 178.44 176.43 2jgk h VAL 183 N 1.05 1.28 -0.71 2.65 2.07 -0.16 0.11 116.25 122.54 2jgk h VAL 183 Ca 0.27 -1.19 0.12 0.00 0.82 0.00 0.00 66.70 66.71 2jgk h VAL 183 Cb 0.01 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 2jgk h VAL 183 CO -0.05 0.39 0.29 1.56 0.02 0.00 0.00 177.57 179.79 2jgk h GLN 184 N 0.47 0.45 0.00 1.57 1.08 -0.76 -1.85 115.11 116.07 2jgk h GLN 184 Ca 0.08 -0.03 -0.20 0.00 -1.45 0.00 0.00 58.65 57.06 2jgk h GLN 184 Cb 0.63 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 2jgk h GLN 184 CO 0.04 0.30 -0.94 0.93 -0.95 0.00 0.00 178.83 178.21 2jgk h GLU 185 N 0.47 0.00 0.00 1.46 5.08 -1.08 -3.42 114.58 117.09 2jgk h GLU 185 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2jgk h GLU 185 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jgk h GLU 185 CO -0.35 0.94 -0.80 0.09 -1.00 0.00 0.00 179.01 177.89 2jgk n ASN 186 N -3.36 4.01 0.21 1.42 3.02 0.34 -4.83 115.26 116.07 2jgk n ASN 186 Ca 0.00 -0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.59 2jgk n ASN 186 Cb 0.91 0.84 0.46 0.00 -0.61 0.00 0.00 39.78 41.38 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 1.00 -0.44 2.41 6.09 -1.50 -2.53 117.51 122.53 2jgk h ILE 187 Ca 0.00 -1.08 0.09 0.00 -1.37 0.00 0.00 64.86 62.49 2jgk h ILE 187 Cb 0.00 1.62 -0.08 0.00 0.47 0.00 0.00 36.82 38.83 2jgk h ILE 187 CO 0.00 0.29 -0.08 0.00 -3.07 0.00 0.00 178.15 175.29 2jgk h ALA 188 N 1.71 0.33 0.00 0.18 0.00 -1.80 -0.57 119.26 119.10 2jgk h ALA 188 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jgk h ALA 188 Cb 0.60 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2jgk h ALA 188 CO 0.04 -0.43 0.29 0.00 0.00 0.00 0.00 179.25 179.15 2jgk n ALA 189 N -2.72 0.62 0.79 0.00 0.00 -0.95 0.12 120.51 118.36 2jgk n ALA 189 Ca 0.03 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.67 2jgk n ALA 189 Cb 0.24 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 2jgk n ALA 189 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jgk n PHE 190 N -1.99 0.00 0.00 0.00 3.01 -0.33 -4.89 117.46 113.26 2jgk n PHE 190 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jgk n PHE 190 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 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 1.34 0.61 3.79 1.37 0.00 0.31 -4.49 105.19 108.13 2jgk n GLY 191 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.05 1.93 -0.35 -0.02 0.00 -0.54 0.44 107.32 107.73 2jgk s GLY 192 Ca 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 44.72 44.98 2jgk s GLY 192 CO 0.00 0.67 0.14 -0.35 0.00 0.00 0.00 173.10 173.56 2jgk s ASP 193 N -3.09 5.46 0.00 1.64 2.15 0.17 -3.62 116.67 119.38 2jgk s ASP 193 Ca 0.63 -1.08 0.09 0.00 0.43 0.00 0.00 52.55 52.62 2jgk s ASP 193 Cb -0.17 -1.92 0.42 0.00 -0.30 0.00 0.00 42.92 40.94 2jgk s ASP 193 CO 0.46 -0.34 1.28 -0.81 -0.17 0.00 0.00 175.17 175.59 2jgk n PRO 194 N 4.88 0.03 -0.05 4.34 -0.04 -1.26 -1.57 135.00 141.33 2jgk n PRO 194 Ca -0.12 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2jgk n PRO 194 Cb 0.45 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.77 2jgk n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jgk n MET 195 N -1.46 1.92 -2.91 0.54 2.81 -1.26 -4.15 117.12 112.61 2jgk n MET 195 Ca 0.03 -1.36 -0.13 0.00 -1.81 0.00 0.00 57.70 54.43 2jgk n MET 195 Cb 0.10 -1.46 0.01 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 0.62 0.90 -4.68 7.83 2.88 -0.61 -4.95 113.62 115.61 2jgk n SER 196 Ca 0.17 -2.87 -0.41 0.00 -1.33 0.00 0.00 58.87 54.43 2jgk n SER 196 Cb 0.43 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 -2.56 4.91 -0.10 2.46 1.01 -1.25 -1.00 120.40 123.88 2jgk s VAL 197 Ca 0.33 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.93 2jgk s VAL 197 Cb 0.40 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2jgk s VAL 197 CO -0.02 0.07 -0.21 -0.89 0.00 0.00 0.00 175.10 174.05 2jgk s THR 198 N 1.88 1.88 -0.16 3.92 2.01 -0.02 -0.73 115.64 124.43 2jgk s THR 198 Ca 0.38 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 2jgk s THR 198 Cb -0.17 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 2jgk s THR 198 CO 0.14 0.52 0.21 -0.76 -0.69 0.00 0.00 174.62 174.03 2jgk s LEU 199 N 0.50 4.26 0.03 4.42 1.43 -0.94 -0.37 118.68 128.02 2jgk s LEU 199 Ca -0.16 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2jgk s LEU 199 Cb -0.17 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 2jgk s LEU 199 CO 0.06 0.19 -0.06 0.72 0.23 0.00 0.00 176.35 177.49 2jgk s PHE 200 N 0.12 0.48 -0.03 0.29 -0.71 0.09 -1.09 117.98 117.13 2jgk s PHE 200 Ca 0.13 -0.50 -0.29 0.00 -1.04 0.00 0.00 56.93 55.24 2jgk s PHE 200 Cb -0.12 -0.30 0.10 0.00 -1.21 0.00 0.00 43.02 41.49 2jgk s PHE 200 CO 0.02 -0.13 0.86 0.20 -1.34 0.00 0.00 175.22 174.83 2jgk s GLY 201 N -1.48 -0.45 -0.22 1.99 0.00 -1.19 -1.05 107.32 104.93 2jgk s GLY 201 Ca -0.12 1.23 0.13 0.00 0.00 0.00 0.00 44.72 45.97 2jgk s GLY 201 CO -0.00 0.55 1.36 -2.21 0.00 0.00 0.00 173.10 172.80 2jgk n GLU 202 N 0.10 2.00 0.00 2.90 0.00 -1.22 -1.67 120.64 122.76 2jgk n GLU 202 Ca -0.11 -2.99 0.00 0.00 0.00 0.00 0.00 57.16 54.06 2jgk n GLU 202 Cb 0.61 -1.74 0.00 0.00 0.00 0.00 0.00 31.44 30.31 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 -1.01 0.00 -0.34 4.31 0.00 -1.26 -2.11 120.51 120.10 2jgk n ALA 204 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 2jgk n ALA 204 Cb 0.87 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.43 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 1.32 0.94 0.00 0.00 -1.71 0.19 103.07 103.81 2jgk h GLY 205 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2jgk h GLY 205 CO 0.00 0.43 -0.14 0.00 0.00 0.00 0.00 176.54 176.83 2jgk h ALA 206 N 1.36 -0.40 -0.95 3.60 0.00 -1.42 0.09 119.26 121.53 2jgk h ALA 206 Ca 0.35 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.26 2jgk h ALA 206 Cb -0.07 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 2jgk h ALA 206 CO -0.10 -0.69 0.61 0.00 0.00 0.00 0.00 179.25 179.07 2jgk h ALA 207 N 0.23 1.59 0.07 0.00 0.00 -1.67 0.98 119.26 120.46 2jgk h ALA 207 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jgk h ALA 207 Cb 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jgk h ALA 207 CO 0.07 0.19 -0.03 0.77 0.00 0.00 0.00 179.25 180.24 2jgk h SER 208 N 0.94 -0.08 -0.62 0.00 0.02 -0.49 0.43 113.55 113.75 2jgk h SER 208 Ca 0.46 -0.17 0.13 0.00 -0.84 0.00 0.00 61.79 61.37 2jgk h SER 208 Cb 0.47 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.92 2jgk h SER 208 CO -0.22 0.12 -0.08 0.58 -1.14 0.00 0.00 176.83 176.09 2jgk h VAL 209 N -0.28 0.43 -0.40 2.27 2.07 0.37 0.24 116.25 120.96 2jgk h VAL 209 Ca -0.01 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2jgk h VAL 209 Cb 0.24 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2jgk h VAL 209 CO 0.02 0.01 0.09 1.23 0.02 0.00 0.00 177.57 178.94 2jgk h GLY 210 N 0.05 0.63 2.00 2.17 0.00 -0.21 -1.16 103.07 106.56 2jgk h GLY 210 Ca 0.31 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 2jgk h GLY 210 CO -0.59 0.32 -0.40 -0.33 0.00 0.00 0.00 176.54 175.54 2jgk h MET 211 N 0.58 0.00 0.00 4.80 2.86 0.18 -1.53 114.93 121.81 2jgk h MET 211 Ca 0.13 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 2jgk h MET 211 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2jgk h MET 211 CO -0.00 0.40 -0.42 0.45 1.06 0.00 0.00 176.91 178.39 2jgk h HIS 212 N 0.00 0.00 -0.30 -0.22 3.86 0.02 -0.32 115.15 118.19 2jgk h HIS 212 Ca -0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 2jgk h HIS 212 Cb 0.71 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2jgk h HIS 212 CO 0.00 0.42 -0.29 0.82 0.86 0.00 0.00 177.93 179.74 2jgk h ILE 213 N 0.00 1.28 -0.07 2.45 2.04 -0.64 -3.13 117.51 119.43 2jgk h ILE 213 Ca -0.00 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.46 2jgk h ILE 213 Cb 0.99 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2jgk h ILE 213 CO 0.06 0.45 0.00 0.18 0.00 0.00 0.00 178.15 178.84 2jgk n LEU 214 N -4.09 1.81 -4.18 1.44 4.77 -0.65 -4.78 117.00 111.33 2jgk n LEU 214 Ca -0.01 -0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 54.98 2jgk n LEU 214 Cb 0.45 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.36 2jgk n LEU 214 CO 0.44 0.33 -0.44 -0.55 -1.33 0.00 0.00 177.39 175.84 2jgk s SER 215 N -1.87 4.02 0.15 -1.43 0.15 -0.18 -4.74 113.70 109.80 2jgk s SER 215 Ca 0.35 -0.79 -0.18 0.00 0.70 0.00 0.00 55.95 56.03 2jgk s SER 215 Cb 0.20 -1.62 0.04 0.00 -1.71 0.00 0.00 66.02 62.94 2jgk s SER 215 CO 0.31 -0.09 1.68 0.25 1.20 0.00 0.00 173.24 176.60 2jgk h LEU 216 N 7.99 -0.30 -1.79 3.45 5.85 -1.85 -1.65 115.31 127.00 2jgk h LEU 216 Ca -0.36 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.56 2jgk h LEU 216 Cb 1.12 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2jgk h LEU 216 CO 0.59 -0.11 0.36 -0.65 -0.34 0.00 0.00 178.44 178.29 2jgk h PRO 217 N -0.00 0.23 -0.10 5.25 0.11 -1.95 -1.75 132.00 133.79 2jgk h PRO 217 Ca 0.15 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.15 2jgk h PRO 217 Cb 0.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 2jgk h PRO 217 CO -0.33 0.15 -0.39 0.77 -0.21 0.00 0.00 178.00 177.99 2jgk h SER 218 N 0.23 0.21 -0.75 -2.05 0.02 -1.56 -3.36 113.55 106.29 2jgk h SER 218 Ca 0.24 -0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 2jgk h SER 218 Cb 0.65 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 2jgk h SER 218 CO -0.05 0.59 0.50 0.03 -1.14 0.00 0.00 176.83 176.76 2jgk h ARG 219 N 0.17 0.64 -0.52 3.45 2.47 -1.09 0.26 114.38 119.77 2jgk h ARG 219 Ca 0.02 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2jgk h ARG 219 Cb 0.77 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2jgk h ARG 219 CO 0.06 0.43 0.00 -1.13 0.56 0.00 0.00 179.97 179.89 2jgk n SER 220 N -4.50 0.75 -0.08 7.04 3.41 -1.26 -3.46 113.62 115.52 2jgk n SER 220 Ca 0.13 -2.03 0.03 0.00 -0.26 0.00 0.00 58.87 56.74 2jgk n SER 220 Cb 0.33 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.17 0.68 -4.04 1.04 4.77 0.08 -5.04 117.00 114.32 2jgk n LEU 221 Ca 0.01 -0.63 -0.11 0.00 -0.03 0.00 0.00 56.01 55.25 2jgk n LEU 221 Cb 0.17 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 2jgk n LEU 221 CO 0.01 0.15 0.15 0.72 -1.33 0.00 0.00 177.39 177.09 2jgk s PHE 222 N -1.40 0.68 0.00 -1.77 -0.71 -1.22 -4.85 117.98 108.70 2jgk s PHE 222 Ca 0.04 -1.00 0.00 0.00 -1.04 0.00 0.00 56.93 54.94 2jgk s PHE 222 Cb 0.06 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.93 2jgk s PHE 222 CO 0.24 -1.05 0.00 0.72 -1.34 0.00 0.00 175.22 173.79 2jgk n HIS 223 N -0.45 0.00 -4.18 3.49 8.25 0.09 -4.95 115.22 117.48 2jgk n HIS 223 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 2jgk n HIS 223 Cb 0.62 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.64 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 -1.69 1.29 0.03 -0.41 0.52 -1.22 -4.34 118.95 113.14 2jgk s ARG 224 Ca 0.00 -1.62 -0.17 0.00 -0.52 0.00 0.00 55.73 53.42 2jgk s ARG 224 Cb 0.00 0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.80 2jgk s ARG 224 CO 0.00 -0.44 0.38 0.00 0.02 0.00 0.00 175.30 175.26 2jgk s ALA 225 N -4.07 -0.92 -0.04 2.13 0.00 -1.03 -2.22 121.76 115.60 2jgk s ALA 225 Ca 0.37 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2jgk s ALA 225 Cb 0.06 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.50 2jgk s ALA 225 CO 0.13 -0.42 -0.01 0.08 0.00 0.00 0.00 175.76 175.54 2jgk s VAL 226 N -2.32 0.29 -0.30 0.00 1.01 -0.25 -1.28 120.40 117.54 2jgk s VAL 226 Ca -0.06 0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2jgk s VAL 226 Cb -0.01 -0.39 0.08 0.00 0.00 0.00 0.00 36.38 36.07 2jgk s VAL 226 CO -0.01 0.19 0.02 -0.76 0.00 0.00 0.00 175.10 174.53 2jgk s LEU 227 N 1.22 3.44 -0.25 3.92 1.02 -0.26 -3.14 118.68 124.62 2jgk s LEU 227 Ca -0.07 -1.69 -0.12 0.00 0.02 0.00 0.00 54.13 52.27 2jgk s LEU 227 Cb -0.13 -1.32 -0.05 0.00 0.02 0.00 0.00 46.19 44.71 2jgk s LEU 227 CO -0.02 -0.33 0.23 -1.10 0.02 0.00 0.00 176.35 175.15 2jgk s GLN 228 N 1.23 4.04 -1.36 1.70 -0.21 -0.67 -2.86 119.66 121.53 2jgk s GLN 228 Ca 0.04 -0.18 -0.07 0.00 0.02 0.00 0.00 55.36 55.17 2jgk s GLN 228 Cb -0.19 -3.59 0.05 0.00 1.00 0.00 0.00 33.01 30.28 2jgk s GLN 228 CO -0.11 -0.06 0.50 0.43 -2.12 0.00 0.00 175.29 173.92 2jgk n SER 229 N 4.66 -4.48 -3.64 5.90 7.64 -0.35 -4.18 113.62 119.17 2jgk n SER 229 Ca -0.13 -0.32 -0.06 0.00 1.01 0.00 0.00 58.87 59.37 2jgk n SER 229 Cb 0.52 -3.68 -0.02 0.00 -1.01 0.00 0.00 64.21 60.02 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 -2.68 -0.34 0.04 0.23 0.00 -1.26 -4.81 107.32 98.50 2jgk s GLY 230 Ca 0.35 0.49 -0.23 0.00 0.00 0.00 0.00 44.72 45.32 2jgk s GLY 230 CO 0.43 0.14 0.53 -0.51 0.00 0.00 0.00 173.10 173.69 2jgk s THR 231 N -3.24 0.03 0.16 0.90 -4.23 -1.26 -4.37 115.64 103.63 2jgk s THR 231 Ca 0.09 -0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 60.29 2jgk s THR 231 Cb -0.01 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.84 2jgk s THR 231 CO -0.03 -0.12 1.51 -0.65 -0.54 0.00 0.00 174.62 174.80 2jgk h PRO 232 N 2.82 0.89 0.00 3.99 0.11 -1.86 -3.40 132.00 134.55 2jgk h PRO 232 Ca -0.30 -0.45 -0.38 0.00 0.11 0.00 0.00 66.00 64.98 2jgk h PRO 232 Cb 1.21 0.00 0.19 0.00 0.11 0.00 0.00 31.00 32.51 2jgk h PRO 232 CO 0.41 1.09 0.10 0.27 -0.21 0.00 0.00 178.00 179.66 2jgk n ASN 233 N -4.06 -2.18 0.00 -2.05 6.94 -1.26 -4.52 115.26 108.12 2jgk n ASN 233 Ca -0.02 -1.14 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 2jgk n ASN 233 Cb 0.52 -0.98 0.00 0.00 -2.36 0.00 0.00 39.78 36.97 2jgk n ASN 233 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jgk n GLY 234 N -4.63 -0.63 0.25 4.83 0.00 -1.26 -4.64 105.19 99.12 2jgk n GLY 234 Ca 0.15 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.59 2jgk n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jgk h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.34 132.00 128.52 2jgk h PRO 235 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2jgk h PRO 235 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jgk h PRO 235 CO 0.00 0.13 -1.37 -2.67 -0.23 0.00 0.00 178.00 173.87 2jgk n TRP 236 N -3.41 0.00 0.27 1.56 4.27 -1.26 -4.74 117.44 114.13 2jgk n TRP 236 Ca -0.01 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.74 2jgk n TRP 236 Cb 0.32 -0.20 0.33 0.00 -1.36 0.00 0.00 31.31 30.40 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 0.64 1.00 -2.41 -1.67 0.00 -1.82 -3.47 119.26 111.52 2jgk h ALA 237 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2jgk h ALA 237 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.16 2jgk h ALA 237 CO 0.00 0.00 -0.54 0.95 0.00 0.00 0.00 179.25 179.66 2jgk s THR 238 N -3.32 0.15 0.15 0.00 -4.23 -1.26 -3.94 115.64 103.19 2jgk s THR 238 Ca 0.06 -1.60 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 2jgk s THR 238 Cb 0.07 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 2jgk s THR 238 CO 0.62 -0.68 -0.05 0.68 -0.54 0.00 0.00 174.62 174.65 2jgk s VAL 239 N -3.94 0.85 0.37 2.29 -7.23 -0.58 -4.98 120.40 107.17 2jgk s VAL 239 Ca 0.12 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.20 2jgk s VAL 239 Cb 0.06 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 2jgk s VAL 239 CO -0.06 -0.65 0.71 -0.94 -0.31 0.00 0.00 175.10 173.85 2jgk s SER 240 N -3.15 6.52 0.14 4.85 1.04 -1.26 0.24 113.70 122.08 2jgk s SER 240 Ca 0.19 1.04 -0.31 0.00 0.48 0.00 0.00 55.95 57.35 2jgk s SER 240 Cb 0.05 -2.28 -0.08 0.00 0.10 0.00 0.00 66.02 63.81 2jgk s SER 240 CO 0.01 -0.33 1.55 0.00 0.98 0.00 0.00 173.24 175.45 2jgk h ALA 241 N 1.45 -0.68 -0.79 5.32 0.00 -1.91 -1.34 119.26 121.32 2jgk h ALA 241 Ca -0.47 0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.61 2jgk h ALA 241 Cb 1.19 1.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.92 2jgk h ALA 241 CO 0.65 -1.00 -0.25 0.78 0.00 0.00 0.00 179.25 179.43 2jgk h GLY 242 N -0.36 0.40 1.72 0.00 0.00 -1.94 -2.04 103.07 100.85 2jgk h GLY 242 Ca 0.10 0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.60 2jgk h GLY 242 CO -0.62 -0.28 -0.61 -2.09 0.00 0.00 0.00 176.54 172.94 2jgk h GLU 243 N -0.03 0.29 -0.50 4.80 4.57 -1.77 -2.69 114.58 119.25 2jgk h GLU 243 Ca 0.35 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 58.25 2jgk h GLU 243 Cb 0.58 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 2jgk h GLU 243 CO -0.82 0.81 -0.04 0.00 -1.18 0.00 0.00 179.01 177.78 2jgk h ALA 244 N 1.14 0.67 -0.50 2.92 0.00 -0.60 -1.35 119.26 121.55 2jgk h ALA 244 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2jgk h ALA 244 Cb 1.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2jgk h ALA 244 CO 0.10 0.52 0.21 -0.09 0.00 0.00 0.00 179.25 179.99 2jgk h ARG 245 N 0.76 0.72 -0.17 0.00 2.43 -1.34 0.10 114.38 116.88 2jgk h ARG 245 Ca 0.14 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 2jgk h ARG 245 Cb 0.57 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2jgk h ARG 245 CO 0.03 0.58 -0.46 -0.09 -1.51 0.00 0.00 179.97 178.53 2jgk h ARG 246 N 0.71 0.62 -0.23 0.20 2.43 -1.21 -1.79 114.38 115.12 2jgk h ARG 246 Ca 0.17 -0.43 -0.11 0.00 -0.81 0.00 0.00 59.98 58.80 2jgk h ARG 246 Cb 0.13 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2jgk h ARG 246 CO -0.02 1.05 -0.32 0.00 -1.51 0.00 0.00 179.97 179.17 2jgk h ARG 247 N 0.29 0.48 0.40 0.20 3.08 -0.83 -1.11 114.38 116.88 2jgk h ARG 247 Ca -0.01 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 2jgk h ARG 247 Cb 1.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2jgk h ARG 247 CO 0.10 0.74 -0.19 0.00 -1.07 0.00 0.00 179.97 179.55 2jgk h ALA 248 N 1.25 -0.54 -0.26 0.04 0.00 -0.77 -1.02 119.26 117.95 2jgk h ALA 248 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jgk h ALA 248 Cb 0.76 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2jgk h ALA 248 CO 0.06 -0.66 0.10 1.79 0.00 0.00 0.00 179.25 180.55 2jgk h THR 249 N -0.83 1.11 -0.28 0.00 1.35 -1.25 0.29 112.91 113.29 2jgk h THR 249 Ca -0.06 -0.33 -0.14 0.00 -0.55 0.00 0.00 66.41 65.33 2jgk h THR 249 Cb 0.54 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 2jgk h THR 249 CO 0.09 0.13 -0.40 0.25 -0.25 0.00 0.00 175.52 175.33 2jgk h LEU 250 N 0.36 0.72 -0.24 3.87 5.85 -1.18 -0.62 115.31 124.06 2jgk h LEU 250 Ca 0.09 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 2jgk h LEU 250 Cb 0.08 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2jgk h LEU 250 CO -0.01 1.03 0.09 0.25 -0.34 0.00 0.00 178.44 179.46 2jgk h LEU 251 N 0.55 0.35 -0.88 2.25 5.85 0.30 -1.51 115.31 122.21 2jgk h LEU 251 Ca 0.05 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2jgk h LEU 251 Cb 0.93 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 2jgk h LEU 251 CO 0.08 0.44 0.56 0.00 -0.34 0.00 0.00 178.44 179.18 2jgk h ALA 252 N 0.92 1.19 -0.69 1.25 0.00 -0.89 -1.22 119.26 119.81 2jgk h ALA 252 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2jgk h ALA 252 Cb 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2jgk h ALA 252 CO -0.00 0.35 0.17 -0.09 0.00 0.00 0.00 179.25 179.68 2jgk h ARG 253 N 1.05 1.11 0.00 0.00 2.43 -1.00 0.16 114.38 118.12 2jgk h ARG 253 Ca 0.37 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2jgk h ARG 253 Cb 0.10 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2jgk h ARG 253 CO -0.15 0.98 0.00 1.28 -1.51 0.00 0.00 179.97 180.57 2jgk n LEU 254 N -4.26 0.68 -0.27 3.80 4.77 -0.52 -0.96 117.00 120.24 2jgk n LEU 254 Ca 0.05 0.70 0.03 0.00 -0.03 0.00 0.00 56.01 56.75 2jgk n LEU 254 Cb 0.25 -0.64 0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2jgk n LEU 254 CO 0.42 -0.67 0.52 1.33 -1.33 0.00 0.00 177.39 177.66 2jgk n VAL 255 N -2.28 0.81 -2.12 4.08 0.24 -0.88 -5.01 118.33 113.17 2jgk n VAL 255 Ca 0.01 -0.91 -0.02 0.00 -2.04 0.00 0.00 64.34 61.38 2jgk n VAL 255 Cb 0.19 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.02 -4.08 0.00 7.63 0.00 0.50 -5.06 105.19 104.21 2jgk n GLY 256 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 -3.70 -0.10 0.00 4.05 -1.26 -4.82 115.26 109.43 2jgk n ASN 265 Ca 0.00 1.16 -0.10 0.00 0.45 0.00 0.00 54.58 56.09 2jgk n ASN 265 Cb 0.00 -2.96 -0.03 0.00 1.23 0.00 0.00 39.78 38.02 2jgk n ASN 265 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2jgk h ASP 266 N 2.90 0.49 -0.73 1.20 3.32 -2.01 -2.86 116.42 118.74 2jgk h ASP 266 Ca 0.00 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 2jgk h ASP 266 Cb 0.00 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2jgk h ASP 266 CO 0.00 0.63 0.30 0.74 -1.72 0.00 0.00 179.24 179.19 2jgk h THR 267 N 0.34 1.25 -0.36 0.35 2.02 -2.01 -2.50 112.91 112.01 2jgk h THR 267 Ca 0.09 -0.77 -0.12 0.00 0.77 0.00 0.00 66.41 66.38 2jgk h THR 267 Cb 0.35 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2jgk h THR 267 CO 0.01 0.31 -0.27 -0.33 0.37 0.00 0.00 175.52 175.60 2jgk h GLU 268 N 1.04 0.74 -0.37 6.66 5.08 -1.99 -1.33 114.58 124.41 2jgk h GLU 268 Ca 0.24 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2jgk h GLU 268 Cb 0.20 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2jgk h GLU 268 CO -0.02 0.93 0.15 1.25 -1.00 0.00 0.00 179.01 180.32 2jgk h LEU 269 N 0.64 0.51 0.04 1.33 5.85 -1.24 -2.59 115.31 119.84 2jgk h LEU 269 Ca 0.08 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2jgk h LEU 269 Cb 0.79 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2jgk h LEU 269 CO 0.06 0.53 -0.02 0.40 -0.34 0.00 0.00 178.44 179.08 2jgk h ILE 270 N 0.45 1.29 -0.96 4.05 2.04 -1.38 -2.38 117.51 120.61 2jgk h ILE 270 Ca 0.12 -1.09 0.28 0.00 1.00 0.00 0.00 64.86 65.17 2jgk h ILE 270 Cb 0.18 2.00 -0.14 0.00 -0.74 0.00 0.00 36.82 38.13 2jgk h ILE 270 CO -0.01 0.27 0.48 0.00 0.00 0.00 0.00 178.15 178.89 2jgk h ALA 271 N 0.39 1.72 -0.44 1.87 0.00 -1.26 0.52 119.26 122.05 2jgk h ALA 271 Ca -0.01 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2jgk h ALA 271 Cb 0.49 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jgk h ALA 271 CO 0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 179.25 178.65 2jgk h LEU 273 N 0.71 0.62 -2.02 0.00 3.38 -0.01 -2.88 115.31 115.11 2jgk h LEU 273 Ca 0.11 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.05 2jgk h LEU 273 Cb 0.68 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2jgk h LEU 273 CO 0.05 0.62 0.36 0.03 0.09 0.00 0.00 178.44 179.58 2jgk h ARG 274 N 0.58 0.00 -0.12 1.13 3.08 -0.02 -0.91 114.38 118.13 2jgk h ARG 274 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2jgk h ARG 274 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2jgk h ARG 274 CO -0.01 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.14 2jgk n THR 275 N -4.26 0.15 -4.13 2.04 -2.24 -1.06 -4.87 114.28 99.92 2jgk n THR 275 Ca 0.08 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 2jgk n THR 275 Cb 0.56 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.85 3.88 0.26 -0.78 1.81 -0.35 -5.07 118.95 116.85 2jgk s ARG 276 Ca 0.27 -0.39 -0.27 0.00 -1.72 0.00 0.00 55.73 53.62 2jgk s ARG 276 Cb 0.14 -3.12 -0.16 0.00 -0.45 0.00 0.00 34.95 31.36 2jgk s ARG 276 CO 0.21 0.27 0.63 -2.30 -0.68 0.00 0.00 175.30 173.43 2jgk n PRO 277 N 3.50 0.43 -0.20 3.54 -0.01 -1.26 -4.85 135.00 136.15 2jgk n PRO 277 Ca -0.17 0.15 -0.01 0.00 -0.01 0.00 0.00 63.50 63.47 2jgk n PRO 277 Cb 0.52 -1.28 0.10 0.00 -0.01 0.00 0.00 33.50 32.83 2jgk n PRO 277 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2jgk h ALA 278 N 1.20 0.77 0.00 3.55 0.00 -1.97 -1.93 119.26 120.88 2jgk h ALA 278 Ca -0.33 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2jgk h ALA 278 Cb 1.41 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jgk h ALA 278 CO 0.57 -0.16 -0.08 0.37 0.00 0.00 0.00 179.25 179.95 2jgk h GLN 279 N 0.44 0.00 -0.32 0.00 5.75 -2.00 -2.24 115.11 116.74 2jgk h GLN 279 Ca 0.29 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 2jgk h GLN 279 Cb 0.33 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2jgk h GLN 279 CO -0.27 0.08 0.14 -0.44 -2.65 0.00 0.00 178.83 175.69 2jgk h ASP 280 N 0.00 0.42 -0.21 -0.69 5.19 -1.69 -2.68 116.42 116.77 2jgk h ASP 280 Ca -0.00 -0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.22 2jgk h ASP 280 Cb 0.24 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 2jgk h ASP 280 CO 0.01 0.45 -0.00 -0.07 -3.12 0.00 0.00 179.24 176.50 2jgk h LEU 281 N 0.37 0.45 -1.20 1.55 3.38 -1.47 -2.72 115.31 115.68 2jgk h LEU 281 Ca 0.11 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2jgk h LEU 281 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jgk h LEU 281 CO -0.01 0.53 -0.35 0.58 0.09 0.00 0.00 178.44 179.27 2jgk h VAL 282 N 0.47 1.00 0.11 1.22 2.07 -1.42 -2.20 116.25 117.50 2jgk h VAL 282 Ca 0.10 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2jgk h VAL 282 Cb 0.31 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2jgk h VAL 282 CO 0.01 0.34 -0.05 0.44 0.02 0.00 0.00 177.57 178.33 2jgk h ASP 283 N 0.00 -0.13 -0.50 0.57 3.32 -1.14 -3.19 116.42 115.35 2jgk h ASP 283 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2jgk h ASP 283 Cb 0.74 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2jgk h ASP 283 CO 0.05 -0.02 0.00 1.41 -1.72 0.00 0.00 179.24 178.96 2jgk n HIS 284 N -5.12 0.70 -0.20 4.55 8.25 -1.19 -4.31 115.22 117.90 2jgk n HIS 284 Ca -0.08 -0.34 -0.07 0.00 -0.26 0.00 0.00 57.72 56.97 2jgk n HIS 284 Cb 0.11 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.24 2jgk n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2jgk h GLU 285 N 2.91 0.78 -0.69 -0.41 4.81 -1.38 -2.72 114.58 117.87 2jgk h GLU 285 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2jgk h GLU 285 Cb 0.70 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2jgk h GLU 285 CO 0.01 0.57 0.00 0.91 -0.73 0.00 0.00 179.01 179.78 2jgk n TRP 286 N -4.63 1.23 -0.17 0.92 7.02 -1.26 -3.91 117.44 116.64 2jgk n TRP 286 Ca 0.03 -0.44 0.02 0.00 -1.02 0.00 0.00 57.50 56.09 2jgk n TRP 286 Cb 0.06 -0.31 0.04 0.00 -2.42 0.00 0.00 31.31 28.68 2jgk n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jgk n HIS 287 N 0.47 0.06 0.01 -5.99 8.25 -1.02 -4.61 115.22 112.39 2jgk n HIS 287 Ca 0.17 -0.57 -0.12 0.00 -0.26 0.00 0.00 57.72 56.94 2jgk n HIS 287 Cb 0.79 -0.06 -0.14 0.00 1.12 0.00 0.00 29.99 31.69 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 0.24 0.95 -3.50 1.59 2.07 -1.68 -3.37 116.25 112.55 2jgk h VAL 288 Ca 0.00 -2.73 -0.68 0.00 0.82 0.00 0.00 66.70 64.11 2jgk h VAL 288 Cb 0.60 2.55 -0.37 0.00 -1.52 0.00 0.00 31.29 32.55 2jgk h VAL 288 CO 0.00 0.68 -0.48 -0.76 0.02 0.00 0.00 177.57 177.04 2jgk s LEU 289 N -6.51 4.99 0.10 2.57 1.43 -1.26 -4.96 118.68 115.03 2jgk s LEU 289 Ca -0.08 -2.74 -0.20 0.00 -1.03 0.00 0.00 54.13 50.08 2jgk s LEU 289 Cb 0.08 -1.78 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 2jgk s LEU 289 CO 0.82 -0.36 1.68 -0.65 0.23 0.00 0.00 176.35 178.07 2jgk h PRO 290 N 7.08 0.28 0.00 1.29 0.11 -1.83 -3.45 132.00 135.48 2jgk h PRO 290 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2jgk h PRO 290 Cb 0.95 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2jgk h PRO 290 CO 0.69 0.30 0.00 1.04 -0.21 0.00 0.00 178.00 179.82 2jgk n GLN 291 N -4.87 0.00 -1.41 1.05 6.02 -1.26 -4.64 117.38 112.26 2jgk n GLN 291 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.84 2jgk n GLN 291 Cb 0.09 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.26 2jgk n GLN 291 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2jgk n GLU 292 N 0.00 0.15 -2.42 -1.09 1.02 -1.26 -4.80 120.64 112.23 2jgk n GLU 292 Ca 0.00 -0.90 -0.04 0.00 -0.02 0.00 0.00 57.16 56.20 2jgk n GLU 292 Cb 0.00 -2.79 -0.01 0.00 -0.02 0.00 0.00 31.44 28.62 2jgk n GLU 292 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2jgk n SER 293 N 14.05 0.58 -0.12 1.62 3.41 -1.26 -4.70 113.62 127.22 2jgk n SER 293 Ca 0.35 -1.39 -0.25 0.00 -0.26 0.00 0.00 58.87 57.31 2jgk n SER 293 Cb 0.43 0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.50 2jgk n SER 293 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2jgk n ILE 294 N -0.15 1.55 -1.53 -1.33 -0.00 -1.26 -4.54 119.36 112.10 2jgk n ILE 294 Ca -0.00 -0.30 -0.30 0.00 -0.00 0.00 0.00 62.75 62.15 2jgk n ILE 294 Cb 0.11 -1.89 -0.06 0.00 -0.00 0.00 0.00 39.64 37.81 2jgk n ILE 294 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 2jgk n PHE 295 N -4.17 1.72 -0.56 1.39 3.01 -1.26 -4.36 117.46 113.23 2jgk n PHE 295 Ca -0.44 -2.28 0.01 0.00 1.01 0.00 0.00 57.45 55.74 2jgk n PHE 295 Cb 0.84 -1.71 0.29 0.00 -0.01 0.00 0.00 39.48 38.89 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 1.78 3.70 -2.46 -1.08 1.85 -1.26 -4.92 116.66 114.27 2jgk n ARG 296 Ca 0.56 -2.49 -0.42 0.00 -1.00 0.00 0.00 57.85 54.50 2jgk n ARG 296 Cb 0.48 -2.08 -0.03 0.00 -1.05 0.00 0.00 32.46 29.78 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 -2.45 3.30 -0.11 2.89 -0.71 -1.26 -4.46 117.98 115.18 2jgk s PHE 297 Ca 0.44 1.27 0.16 0.00 -1.04 0.00 0.00 56.93 57.76 2jgk s PHE 297 Cb 0.34 -3.40 -0.16 0.00 -1.21 0.00 0.00 43.02 38.59 2jgk s PHE 297 CO 0.12 -1.22 0.77 0.43 -1.34 0.00 0.00 175.22 173.97 2jgk n SER 298 N 4.69 0.84 -4.10 1.98 7.64 -1.26 -4.78 113.62 118.63 2jgk n SER 298 Ca 0.10 0.37 -0.34 0.00 1.01 0.00 0.00 58.87 60.01 2jgk n SER 298 Cb 0.47 0.15 -0.13 0.00 -1.01 0.00 0.00 64.21 63.68 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 -2.85 3.57 0.25 1.43 0.08 -1.26 -5.00 117.98 114.20 2jgk s PHE 299 Ca -0.04 -2.49 0.01 0.00 0.12 0.00 0.00 56.93 54.53 2jgk s PHE 299 Cb 0.08 -2.87 -0.04 0.00 -0.57 0.00 0.00 43.02 39.62 2jgk s PHE 299 CO 0.82 -0.93 0.12 0.14 -0.10 0.00 0.00 175.22 175.27 2jgk s VAL 300 N 1.09 0.33 0.43 -0.44 -7.23 -1.26 -4.51 120.40 108.81 2jgk s VAL 300 Ca 0.06 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.00 2jgk s VAL 300 Cb -0.21 -2.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.05 2jgk s VAL 300 CO -0.05 0.00 0.87 -2.65 -0.31 0.00 0.00 175.10 172.96 2jgk n PRO 301 N -0.43 1.07 -5.10 4.82 -0.02 -1.25 -4.71 135.00 129.38 2jgk n PRO 301 Ca 0.01 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 2jgk n PRO 301 Cb 0.66 -1.89 -0.16 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.35 2.40 -0.23 -1.45 0.11 -1.26 -1.52 120.40 117.09 2jgk s VAL 302 Ca 0.64 -0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 2jgk s VAL 302 Cb -0.56 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.34 2jgk s VAL 302 CO 0.56 0.56 1.69 -0.69 -3.33 0.00 0.00 175.10 173.90 2jgk s VAL 303 N -0.00 3.59 0.00 2.04 1.01 0.14 -4.67 120.40 122.51 2jgk s VAL 303 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2jgk s VAL 303 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2jgk s VAL 303 CO 0.05 -0.30 0.55 -0.90 0.00 0.00 0.00 175.10 174.50 2jgk n ASP 304 N 8.94 0.98 0.00 3.32 5.75 -1.21 -3.01 116.55 131.32 2jgk n ASP 304 Ca 0.20 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 2jgk n ASP 304 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 -0.14 0.03 0.00 6.12 0.00 -0.71 -4.78 105.19 105.71 2jgk n GLY 305 Ca 0.00 0.00 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 -0.74 0.00 -0.03 1.61 -0.08 -1.26 -4.61 116.55 111.43 2jgk n ASP 306 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 2jgk n ASP 306 Cb 0.37 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.78 2jgk n ASP 306 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jgk h PHE 307 N 0.00 0.22 -3.55 -0.67 3.04 -1.91 -3.32 116.94 110.74 2jgk h PHE 307 Ca 0.00 -0.01 -0.71 0.00 3.98 0.00 0.00 57.97 61.22 2jgk h PHE 307 Cb 0.00 -0.07 -0.24 0.00 2.56 0.00 0.00 35.95 38.20 2jgk h PHE 307 CO 0.00 0.28 -0.49 -0.51 -2.02 0.00 0.00 178.31 175.57 2jgk s LEU 308 N -9.88 4.85 0.45 0.59 1.43 -1.26 -4.59 118.68 110.27 2jgk s LEU 308 Ca -0.14 -1.06 0.17 0.00 -1.03 0.00 0.00 54.13 52.08 2jgk s LEU 308 Cb 0.07 -2.04 1.07 0.00 0.03 0.00 0.00 46.19 45.32 2jgk s LEU 308 CO 0.70 -0.42 1.98 0.77 0.23 0.00 0.00 176.35 179.61 2jgk h SER 309 N 8.47 0.00 -5.04 2.29 4.64 -1.82 -1.87 113.55 120.22 2jgk h SER 309 Ca -0.25 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 2jgk h SER 309 Cb 1.10 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.11 2jgk h SER 309 CO 0.69 0.20 0.15 -0.62 -0.87 0.00 0.00 176.83 176.38 2jgk s ASP 310 N -6.78 -0.31 0.44 4.97 -1.08 -1.26 -4.27 116.67 108.38 2jgk s ASP 310 Ca -0.03 -0.48 -0.23 0.00 -0.52 0.00 0.00 52.55 51.29 2jgk s ASP 310 Cb 0.15 0.66 -0.10 0.00 -1.46 0.00 0.00 42.92 42.16 2jgk s ASP 310 CO 0.67 -1.18 0.90 0.35 0.52 0.00 0.00 175.17 176.43 2jgk n THR 311 N -0.41 2.43 -0.34 1.71 -2.24 -1.26 -4.60 114.28 109.57 2jgk n THR 311 Ca -0.08 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2jgk n THR 311 Cb 0.61 -1.02 0.34 0.00 -2.10 0.00 0.00 70.33 68.16 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 1.25 0.73 0.32 -0.78 0.11 -1.98 0.15 132.00 131.80 2jgk h PRO 312 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jgk h PRO 312 Cb 1.35 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2jgk h PRO 312 CO 0.55 0.48 -0.48 0.93 -0.21 0.00 0.00 178.00 179.27 2jgk h GLU 313 N 0.75 -0.81 -0.85 1.05 3.07 -1.91 0.99 114.58 116.88 2jgk h GLU 313 Ca 0.56 0.06 0.20 0.00 -0.50 0.00 0.00 59.36 59.67 2jgk h GLU 313 Cb 0.88 0.18 -0.12 0.00 -0.84 0.00 0.00 28.75 28.85 2jgk h GLU 313 CO -0.34 -0.54 0.33 0.00 -1.40 0.00 0.00 179.01 177.06 2jgk h ALA 314 N -0.83 1.28 -0.20 3.43 0.00 -1.62 -1.11 119.26 120.20 2jgk h ALA 314 Ca -0.04 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2jgk h ALA 314 Cb 0.77 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jgk h ALA 314 CO -0.14 -0.33 -0.42 -0.07 0.00 0.00 0.00 179.25 178.29 2jgk h LEU 315 N 0.37 0.72 -0.89 0.00 3.38 0.10 -2.70 115.31 116.30 2jgk h LEU 315 Ca 0.51 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2jgk h LEU 315 Cb 0.94 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2jgk h LEU 315 CO -0.52 1.14 -0.26 0.16 0.09 0.00 0.00 178.44 179.05 2jgk h ILE 316 N 0.33 0.57 -0.09 1.22 3.07 0.12 -2.23 117.51 120.50 2jgk h ILE 316 Ca 0.01 -1.28 -0.14 0.00 1.55 0.00 0.00 64.86 64.99 2jgk h ILE 316 Cb 1.02 1.88 -0.01 0.00 -0.27 0.00 0.00 36.82 39.44 2jgk h ILE 316 CO 0.09 0.25 -0.55 0.78 -1.05 0.00 0.00 178.15 177.67 2jgk h ASN 317 N 0.00 0.30 0.00 2.16 2.35 -0.93 -3.33 115.58 116.14 2jgk h ASN 317 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2jgk h ASN 317 Cb 0.86 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2jgk h ASN 317 CO 0.03 0.79 -0.72 0.35 -1.65 0.00 0.00 177.43 176.24 2jgk n THR 318 N -3.92 0.00 -1.34 2.81 -2.24 -1.04 -5.05 114.28 103.50 2jgk n THR 318 Ca -0.02 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 2jgk n THR 318 Cb 0.58 0.85 0.10 0.00 -2.10 0.00 0.00 70.33 69.77 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 -2.31 2.29 -0.40 3.38 0.00 -0.84 -5.00 107.32 104.44 2jgk s GLY 319 Ca 0.03 0.87 -0.08 0.00 0.00 0.00 0.00 44.72 45.53 2jgk s GLY 319 CO 0.47 1.28 0.23 -0.35 0.00 0.00 0.00 173.10 174.72 2jgk s ASP 320 N -2.07 5.56 -0.50 1.64 2.15 -1.26 -4.87 116.67 117.31 2jgk s ASP 320 Ca 0.74 -1.45 0.02 0.00 0.43 0.00 0.00 52.55 52.29 2jgk s ASP 320 Cb -0.29 -1.96 0.49 0.00 -0.30 0.00 0.00 42.92 40.86 2jgk s ASP 320 CO 0.47 -0.49 1.75 0.49 -0.17 0.00 0.00 175.17 177.22 2jgk n PHE 321 N 4.88 2.81 0.36 -5.34 3.72 -0.86 -4.79 117.46 118.23 2jgk n PHE 321 Ca -0.10 -2.48 -0.18 0.00 -0.05 0.00 0.00 57.45 54.64 2jgk n PHE 321 Cb 0.43 -1.00 -0.09 0.00 -0.94 0.00 0.00 39.48 37.88 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 1.75 -0.96 -3.02 -1.08 5.75 -1.73 -2.61 115.11 113.20 2jgk h GLN 322 Ca 0.51 0.07 -0.80 0.00 -0.15 0.00 0.00 58.65 58.27 2jgk h GLN 322 Cb 1.41 0.22 -0.28 0.00 1.07 0.00 0.00 27.48 29.89 2jgk h GLN 322 CO 1.17 -0.64 0.69 -0.25 -2.65 0.00 0.00 178.83 177.15 2jgk n ASP 323 N -5.54 6.20 -3.67 -0.69 8.00 -1.26 -4.50 116.55 115.09 2jgk n ASP 323 Ca -0.13 -3.35 -0.11 0.00 0.71 0.00 0.00 54.79 51.91 2jgk n ASP 323 Cb 0.43 -1.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.17 2jgk n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jgk s LEU 324 N -2.52 -0.47 -0.05 0.64 2.96 -1.23 -5.04 118.68 112.97 2jgk s LEU 324 Ca 0.31 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.51 2jgk s LEU 324 Cb 0.02 2.02 -0.02 0.00 0.50 0.00 0.00 46.19 48.71 2jgk s LEU 324 CO 0.07 -0.22 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.61 2jgk s GLN 325 N 1.00 2.50 -0.02 1.98 1.11 -1.26 -0.83 119.66 124.14 2jgk s GLN 325 Ca -0.05 -0.75 0.01 0.00 0.01 0.00 0.00 55.36 54.57 2jgk s GLN 325 Cb -0.05 -2.32 0.02 0.00 -1.01 0.00 0.00 33.01 29.64 2jgk s GLN 325 CO -0.09 0.57 -0.01 0.08 0.01 0.00 0.00 175.29 175.85 2jgk s VAL 326 N -0.59 0.17 -0.24 1.09 1.01 0.41 -2.46 120.40 119.78 2jgk s VAL 326 Ca 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 2jgk s VAL 326 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 2jgk s VAL 326 CO 0.01 0.11 0.08 -0.22 0.00 0.00 0.00 175.10 175.08 2jgk s LEU 327 N 0.62 3.57 0.10 3.92 2.96 -0.41 -0.58 118.68 128.87 2jgk s LEU 327 Ca -0.06 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2jgk s LEU 327 Cb -0.09 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2jgk s LEU 327 CO -0.01 0.00 -0.14 0.68 -1.32 0.00 0.00 176.35 175.57 2jgk s VAL 328 N 1.38 1.21 0.09 1.68 -7.23 0.11 -1.10 120.40 116.55 2jgk s VAL 328 Ca 0.05 -1.59 -0.26 0.00 -1.81 0.00 0.00 61.98 58.38 2jgk s VAL 328 Cb -0.15 -1.38 0.09 0.00 0.56 0.00 0.00 36.38 35.51 2jgk s VAL 328 CO 0.04 -0.38 1.13 -0.83 -0.31 0.00 0.00 175.10 174.75 2jgk s GLY 329 N -2.24 -0.15 0.22 2.32 0.00 -1.13 -1.09 107.32 105.24 2jgk s GLY 329 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.89 2jgk s GLY 329 CO 0.02 1.78 0.07 -1.34 0.00 0.00 0.00 173.10 173.63 2jgk s VAL 330 N -2.48 0.48 0.41 1.40 -7.23 -0.87 -1.21 120.40 110.89 2jgk s VAL 330 Ca 0.19 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.45 2jgk s VAL 330 Cb 0.00 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2jgk s VAL 330 CO 0.01 -0.16 0.51 0.68 -0.31 0.00 0.00 175.10 175.84 2jgk s VAL 331 N -3.81 3.09 0.40 1.32 -7.23 -1.26 0.18 120.40 113.08 2jgk s VAL 331 Ca 0.33 -1.07 0.17 0.00 -1.81 0.00 0.00 61.98 59.60 2jgk s VAL 331 Cb 0.07 -3.05 0.17 0.00 0.56 0.00 0.00 36.38 34.13 2jgk s VAL 331 CO 0.10 -0.02 1.94 0.50 -0.31 0.00 0.00 175.10 177.30 2jgk h LYS 332 N 0.76 0.00 -2.03 4.82 3.64 -0.83 -3.33 116.57 119.59 2jgk h LYS 332 Ca -0.41 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.47 2jgk h LYS 332 Cb 1.27 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.69 2jgk h LYS 332 CO 0.49 0.25 -1.13 -0.25 -2.27 0.00 0.00 179.45 176.53 2jgk n ASP 333 N -4.04 1.14 -0.10 4.20 9.92 -0.61 -4.94 116.55 122.13 2jgk n ASP 333 Ca -0.02 -3.05 -0.11 0.00 -0.53 0.00 0.00 54.79 51.08 2jgk n ASP 333 Cb 0.32 -0.62 -0.06 0.00 -0.64 0.00 0.00 41.12 40.12 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 3.12 -0.37 0.00 -1.24 4.39 -1.76 -3.04 114.58 115.68 2jgk h GLU 334 Ca 0.10 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2jgk h GLU 334 Cb 0.91 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2jgk h GLU 334 CO 0.53 -0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.54 2jgk n GLY 335 N -1.41 -1.23 0.21 -3.84 0.00 -1.24 -3.74 105.19 93.94 2jgk n GLY 335 Ca -0.02 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2jgk n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgk h SER 336 N 0.00 0.56 -0.38 1.61 4.64 -1.73 -2.87 113.55 115.38 2jgk h SER 336 Ca 0.00 -0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.39 2jgk h SER 336 Cb 0.37 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.24 2jgk h SER 336 CO 0.00 0.40 -0.19 0.22 -0.87 0.00 0.00 176.83 176.39 2jgk h TYR 337 N 0.67 -0.49 0.00 4.77 3.20 -1.79 -2.66 116.97 120.66 2jgk h TYR 337 Ca 0.19 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2jgk h TYR 337 Cb -0.05 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.49 2jgk h TYR 337 CO -0.05 -0.27 0.00 0.74 -1.64 0.00 0.00 178.16 176.94 2jgk h PHE 338 N -0.13 0.00 -0.38 -3.82 -1.00 -1.75 -3.04 116.94 106.81 2jgk h PHE 338 Ca 0.19 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.91 2jgk h PHE 338 Cb 0.42 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 2jgk h PHE 338 CO -0.42 0.00 0.02 -0.07 -1.61 0.00 0.00 178.31 176.23 2jgk h LEU 339 N 0.00 0.65 -1.97 1.54 3.38 -1.43 -2.88 115.31 114.60 2jgk h LEU 339 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jgk h LEU 339 Cb 0.44 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jgk h LEU 339 CO 0.00 0.78 0.00 -0.37 0.09 0.00 0.00 178.44 178.94 2jgk h VAL 340 N 0.49 0.00 -2.73 1.22 -1.51 -1.65 -2.65 116.25 109.43 2jgk h VAL 340 Ca 0.11 -0.10 -0.66 0.00 -1.23 0.00 0.00 66.70 64.82 2jgk h VAL 340 Cb 0.44 0.90 -0.17 0.00 -2.13 0.00 0.00 31.29 30.33 2jgk h VAL 340 CO 0.02 0.00 0.42 -0.31 -1.23 0.00 0.00 177.57 176.46 2jgk s TYR 341 N -3.78 2.84 -1.87 5.19 1.51 -1.09 -4.52 117.35 115.63 2jgk s TYR 341 Ca -0.02 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 2jgk s TYR 341 Cb 0.10 -4.19 0.00 0.00 -0.11 0.00 0.00 41.96 37.75 2jgk s TYR 341 CO 0.36 -1.51 0.00 0.41 -1.11 0.00 0.00 175.55 173.70 2jgk n GLY 342 N 5.31 1.50 3.25 0.71 0.00 -1.26 -4.73 105.19 109.97 2jgk n GLY 342 Ca -0.03 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.70 3.51 0.19 1.61 1.01 -1.00 -4.93 120.40 118.09 2jgk s VAL 343 Ca 0.00 -1.16 -0.32 0.00 0.00 0.00 0.00 61.98 60.50 2jgk s VAL 343 Cb 0.00 -2.97 -0.15 0.00 0.00 0.00 0.00 36.38 33.26 2jgk s VAL 343 CO 0.00 -0.11 1.23 -2.65 0.00 0.00 0.00 175.10 173.57 2jgk n PRO 344 N 4.75 1.39 0.00 2.72 -0.02 -1.26 -2.07 135.00 140.51 2jgk n PRO 344 Ca -0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2jgk n PRO 344 Cb 0.45 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.06 1.26 3.50 -1.23 0.00 -1.26 -4.96 105.19 104.56 2jgk n GLY 345 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.30 2.99 0.04 1.61 0.40 -0.88 -4.62 117.98 115.22 2jgk s PHE 346 Ca 0.00 -0.28 -0.25 0.00 -0.60 0.00 0.00 56.93 55.80 2jgk s PHE 346 Cb 0.00 -1.90 0.06 0.00 0.51 0.00 0.00 43.02 41.69 2jgk s PHE 346 CO 0.00 0.01 0.57 0.45 0.70 0.00 0.00 175.22 176.95 2jgk s SER 347 N 0.14 -0.51 0.00 1.36 0.15 -1.26 -4.57 113.70 109.01 2jgk s SER 347 Ca -0.02 0.30 0.24 0.00 0.70 0.00 0.00 55.95 57.16 2jgk s SER 347 Cb -0.14 0.52 1.24 0.00 -1.71 0.00 0.00 66.02 65.93 2jgk s SER 347 CO 0.03 -0.72 1.78 2.29 1.20 0.00 0.00 173.24 177.82 2jgk n LYS 348 N 0.45 0.43 -0.11 5.44 2.85 -1.26 -3.95 118.16 122.00 2jgk n LYS 348 Ca -0.18 0.05 -0.16 0.00 -1.05 0.00 0.00 58.31 56.97 2jgk n LYS 348 Cb 0.60 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.35 2jgk n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jgk n ASP 349 N -1.22 1.48 -4.91 -5.58 8.00 -1.26 -4.43 116.55 108.63 2jgk n ASP 349 Ca 0.13 -0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.32 2jgk n ASP 349 Cb 0.16 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 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 -6.28 4.92 0.00 -2.24 2.20 -1.25 -5.02 114.94 107.26 2jgk s ASN 350 Ca -0.28 -0.93 0.15 0.00 -0.94 0.00 0.00 52.86 50.86 2jgk s ASN 350 Cb 0.08 -0.10 0.72 0.00 -2.00 0.00 0.00 41.25 39.96 2jgk s ASN 350 CO 0.67 -0.92 1.43 -0.62 -2.94 0.00 0.00 177.10 174.72 2jgk n GLU 351 N -1.73 0.16 -2.42 3.55 1.02 -1.26 -4.72 120.64 115.24 2jgk n GLU 351 Ca 0.04 0.17 -0.19 0.00 -0.02 0.00 0.00 57.16 57.16 2jgk n GLU 351 Cb 0.63 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2jgk n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jgk n SER 352 N -1.34 -5.42 -4.67 1.62 7.64 -1.26 -4.92 113.62 105.28 2jgk n SER 352 Ca 0.06 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.47 2jgk n SER 352 Cb 0.13 -4.45 -0.03 0.00 -1.01 0.00 0.00 64.21 58.85 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 -5.43 4.31 0.24 -3.43 1.43 -1.26 -4.74 118.68 109.81 2jgk s LEU 353 Ca 0.03 2.20 0.09 0.00 -1.03 0.00 0.00 54.13 55.42 2jgk s LEU 353 Cb -0.01 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2jgk s LEU 353 CO 0.04 -0.88 -0.04 0.27 0.23 0.00 0.00 176.35 175.97 2jgk s ILE 354 N 3.65 3.32 0.50 -0.59 -4.36 -1.23 -5.00 121.20 117.50 2jgk s ILE 354 Ca 0.71 -1.87 -0.16 0.00 -0.26 0.00 0.00 60.65 59.07 2jgk s ILE 354 Cb -0.33 -2.74 -0.08 0.00 1.25 0.00 0.00 42.46 40.57 2jgk s ILE 354 CO 0.28 -0.30 0.96 -0.94 0.24 0.00 0.00 174.94 175.18 2jgk s SER 355 N -3.42 6.60 0.24 4.36 1.04 -1.26 -4.15 113.70 117.12 2jgk s SER 355 Ca 0.30 1.51 -0.05 0.00 0.48 0.00 0.00 55.95 58.19 2jgk s SER 355 Cb -0.07 -2.48 0.37 0.00 0.10 0.00 0.00 66.02 63.94 2jgk s SER 355 CO 0.18 -0.57 1.82 -0.09 0.98 0.00 0.00 173.24 175.57 2jgk h ARG 356 N 0.94 0.83 -0.74 4.02 2.43 -1.91 -2.07 114.38 117.87 2jgk h ARG 356 Ca -0.47 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2jgk h ARG 356 Cb 1.18 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 2jgk h ARG 356 CO 0.62 0.55 0.45 0.00 -1.51 0.00 0.00 179.97 180.08 2jgk h ALA 357 N 1.44 0.94 -0.85 2.80 0.00 -2.00 -1.38 119.26 120.21 2jgk h ALA 357 Ca 0.39 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.33 2jgk h ALA 357 Cb 0.30 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2jgk h ALA 357 CO -0.22 0.40 0.47 1.96 0.00 0.00 0.00 179.25 181.86 2jgk h GLN 358 N 1.00 0.73 -0.33 0.00 4.20 -1.81 -2.38 115.11 116.53 2jgk h GLN 358 Ca 0.27 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 2jgk h GLN 358 Cb -0.05 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2jgk h GLN 358 CO -0.05 0.48 -0.10 0.35 -0.67 0.00 0.00 178.83 178.84 2jgk h PHE 359 N 0.75 0.60 -0.01 2.96 3.04 -0.61 0.25 116.94 123.92 2jgk h PHE 359 Ca 0.43 -0.09 -0.22 0.00 3.98 0.00 0.00 57.97 62.06 2jgk h PHE 359 Cb 0.47 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.82 2jgk h PHE 359 CO -0.07 0.65 -0.91 -0.07 -2.02 0.00 0.00 178.31 175.89 2jgk h LEU 360 N 0.51 0.54 -0.38 0.59 3.38 -0.89 -1.85 115.31 117.21 2jgk h LEU 360 Ca 0.10 -0.42 -0.18 0.00 0.09 0.00 0.00 57.88 57.46 2jgk h LEU 360 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2jgk h LEU 360 CO 0.03 1.21 -0.80 0.00 0.09 0.00 0.00 178.44 178.97 2jgk h ALA 361 N 0.76 0.60 -0.59 1.53 0.00 -1.34 -2.92 119.26 117.29 2jgk h ALA 361 Ca -0.07 -0.67 0.02 0.00 0.00 0.00 0.00 54.91 54.19 2jgk h ALA 361 Cb 1.54 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2jgk h ALA 361 CO 0.16 0.85 0.39 0.78 0.00 0.00 0.00 179.25 181.43 2jgk h GLY 362 N 1.67 0.82 1.28 0.00 0.00 -0.31 -1.97 103.07 104.55 2jgk h GLY 362 Ca -0.03 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 46.79 2jgk h GLY 362 CO 0.12 0.28 -0.75 -2.08 0.00 0.00 0.00 176.54 174.11 2jgk h VAL 363 N 0.76 1.30 0.00 4.60 2.07 -1.28 0.60 116.25 124.30 2jgk h VAL 363 Ca 0.23 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.73 2jgk h VAL 363 Cb -0.02 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2jgk h VAL 363 CO -0.05 0.63 -0.10 0.03 0.02 0.00 0.00 177.57 178.09 2jgk h ARG 364 N 0.49 0.00 0.06 1.57 2.47 -1.28 0.11 114.38 117.81 2jgk h ARG 364 Ca -0.04 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.47 2jgk h ARG 364 Cb 1.36 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.67 2jgk h ARG 364 CO 0.15 0.10 -1.08 0.82 0.56 0.00 0.00 179.97 180.53 2jgk h ILE 365 N 0.00 1.17 -0.27 2.04 2.04 -1.22 -3.30 117.51 117.97 2jgk h ILE 365 Ca -0.00 -2.34 -0.10 0.00 1.00 0.00 0.00 64.86 63.42 2jgk h ILE 365 Cb 0.24 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 2jgk h ILE 365 CO 0.01 0.58 -0.24 1.23 0.00 0.00 0.00 178.15 179.74 2jgk h GLY 366 N -0.43 0.55 -7.17 5.37 0.00 -0.72 -3.28 103.07 97.39 2jgk h GLY 366 Ca -0.25 -0.45 -0.65 0.00 0.00 0.00 0.00 47.33 45.98 2jgk h GLY 366 CO -0.02 0.41 -0.41 0.14 0.00 0.00 0.00 176.54 176.66 2jgk s VAL 367 N -4.52 3.39 -0.85 4.60 1.01 0.01 -4.91 120.40 119.13 2jgk s VAL 367 Ca -0.07 -4.12 0.25 0.00 0.00 0.00 0.00 61.98 58.04 2jgk s VAL 367 Cb 0.14 -3.18 0.24 0.00 0.00 0.00 0.00 36.38 33.58 2jgk s VAL 367 CO 0.79 -1.03 1.78 -0.81 0.00 0.00 0.00 175.10 175.84 2jgk n PRO 368 N 2.12 0.10 0.23 2.72 -0.04 -1.24 -2.05 135.00 136.85 2jgk n PRO 368 Ca 0.20 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 2jgk n PRO 368 Cb 0.36 -1.64 0.44 0.00 -0.04 0.00 0.00 33.50 32.62 2jgk n PRO 368 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2jgk h GLN 369 N 0.00 0.00 -6.60 0.54 7.50 -1.91 -3.47 115.11 111.18 2jgk h GLN 369 Ca 0.00 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.62 2jgk h GLN 369 Cb 0.52 0.00 0.04 0.00 0.05 0.00 0.00 27.48 28.08 2jgk h GLN 369 CO 0.00 0.15 0.81 0.00 -1.50 0.00 0.00 178.83 178.29 2jgk s ALA 370 N -3.53 3.70 0.96 3.87 0.00 -0.87 -5.04 121.76 120.84 2jgk s ALA 370 Ca 0.02 1.27 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 2jgk s ALA 370 Cb 0.09 -3.58 0.16 0.00 0.00 0.00 0.00 23.12 19.79 2jgk s ALA 370 CO 0.62 -0.71 1.14 -1.54 0.00 0.00 0.00 175.76 175.27 2jgk s SER 371 N 1.06 3.10 0.19 0.00 1.04 -1.26 -4.76 113.70 113.08 2jgk s SER 371 Ca 0.67 0.91 -0.19 0.00 0.48 0.00 0.00 55.95 57.82 2jgk s SER 371 Cb -0.41 -1.42 0.14 0.00 0.10 0.00 0.00 66.02 64.43 2jgk s SER 371 CO 0.32 -2.80 1.61 0.44 0.98 0.00 0.00 173.24 173.78 2jgk h ASP 372 N -1.67 -0.91 0.35 7.02 3.32 -2.00 -1.18 116.42 121.36 2jgk h ASP 372 Ca -0.50 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 2jgk h ASP 372 Cb 1.32 0.48 0.00 0.00 0.22 0.00 0.00 39.33 41.35 2jgk h ASP 372 CO 0.57 -0.27 -0.18 0.25 -1.72 0.00 0.00 179.24 177.89 2jgk h LEU 373 N -0.13 -0.44 -1.54 1.55 5.85 -1.99 -1.89 115.31 116.72 2jgk h LEU 373 Ca 0.24 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2jgk h LEU 373 Cb 0.51 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2jgk h LEU 373 CO -0.62 -0.30 -0.07 0.00 -0.34 0.00 0.00 178.44 177.11 2jgk h ALA 374 N 0.15 1.62 0.00 1.25 0.00 -1.86 0.27 119.26 120.71 2jgk h ALA 374 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jgk h ALA 374 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jgk h ALA 374 CO 0.07 0.28 -0.00 0.00 0.00 0.00 0.00 179.25 179.59 2jgk h ALA 375 N 1.73 -0.01 -0.58 0.00 0.00 -1.06 -0.08 119.26 119.26 2jgk h ALA 375 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2jgk h ALA 375 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2jgk h ALA 375 CO 0.01 -0.50 0.35 1.49 0.00 0.00 0.00 179.25 180.60 2jgk h GLU 376 N -0.01 0.67 0.01 0.00 4.57 -0.12 0.37 114.58 120.07 2jgk h GLU 376 Ca -0.00 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2jgk h GLU 376 Cb 0.01 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 2jgk h GLU 376 CO 0.00 0.44 -0.14 0.00 -1.18 0.00 0.00 179.01 178.14 2jgk h ALA 377 N 1.26 -0.17 -0.41 2.92 0.00 -0.38 0.28 119.26 122.76 2jgk h ALA 377 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2jgk h ALA 377 Cb 0.03 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2jgk h ALA 377 CO -0.11 -0.64 0.24 0.28 0.00 0.00 0.00 179.25 179.03 2jgk h VAL 378 N -0.24 1.04 -0.06 0.00 2.07 -0.17 0.18 116.25 119.07 2jgk h VAL 378 Ca 0.04 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2jgk h VAL 378 Cb 0.30 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2jgk h VAL 378 CO -0.13 0.09 -0.06 0.58 0.02 0.00 0.00 177.57 178.07 2jgk h VAL 379 N 0.49 0.83 -0.14 2.57 2.07 0.12 -1.62 116.25 120.58 2jgk h VAL 379 Ca 0.16 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.59 2jgk h VAL 379 Cb 0.01 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2jgk h VAL 379 CO -0.08 0.00 -0.34 -0.07 0.02 0.00 0.00 177.57 177.10 2jgk h LEU 380 N -0.08 0.28 -0.18 2.57 3.38 0.27 -1.36 115.31 120.19 2jgk h LEU 380 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2jgk h LEU 380 Cb 0.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2jgk h LEU 380 CO -0.10 0.61 -0.02 -0.74 0.09 0.00 0.00 178.44 178.28 2jgk h HIS 381 N 0.24 0.37 -0.00 1.13 2.76 -0.46 -3.29 115.15 115.90 2jgk h HIS 381 Ca 0.03 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2jgk h HIS 381 Cb 0.72 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2jgk h HIS 381 CO 0.01 0.56 -0.31 0.66 -1.30 0.00 0.00 177.93 177.55 2jgk n TYR 382 N -4.69 0.00 -2.30 5.26 4.02 -0.63 -4.84 117.16 113.99 2jgk n TYR 382 Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.43 2jgk n TYR 382 Cb 0.24 -0.33 -0.03 0.00 -0.02 0.00 0.00 39.34 39.20 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 -2.98 3.41 -0.74 -0.72 2.01 -0.54 -4.90 115.64 111.19 2jgk s THR 383 Ca 0.13 1.16 -0.25 0.00 0.31 0.00 0.00 61.69 63.04 2jgk s THR 383 Cb 0.18 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 69.00 2jgk s THR 383 CO 0.63 0.17 1.19 -0.62 -0.69 0.00 0.00 174.62 175.30 2jgk s ASP 384 N 0.31 6.20 0.00 3.53 -1.08 -1.26 -4.89 116.67 119.48 2jgk s ASP 384 Ca 0.55 -0.73 0.13 0.00 -0.52 0.00 0.00 52.55 51.99 2jgk s ASP 384 Cb -0.34 -2.51 0.74 0.00 -1.46 0.00 0.00 42.92 39.35 2jgk s ASP 384 CO 0.37 -1.67 1.25 0.79 0.52 0.00 0.00 175.17 176.42 2jgk n TRP 385 N 8.75 0.00 -0.05 -5.34 7.02 -1.26 -1.22 117.44 125.35 2jgk n TRP 385 Ca 0.03 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.38 2jgk n TRP 385 Cb 0.48 -0.09 -0.14 0.00 -2.42 0.00 0.00 31.31 29.14 2jgk n TRP 385 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2jgk n LEU 386 N -1.09 1.50 -3.33 -0.99 7.94 -1.26 -4.50 117.00 115.27 2jgk n LEU 386 Ca 0.09 0.18 -0.26 0.00 -1.11 0.00 0.00 56.01 54.91 2jgk n LEU 386 Cb 0.06 -0.28 -0.08 0.00 0.53 0.00 0.00 43.42 43.66 2jgk n LEU 386 CO 0.08 0.63 -0.07 1.41 -1.11 0.00 0.00 177.39 178.33 2jgk n HIS 387 N -3.13 2.06 0.32 1.96 8.25 -0.36 -4.96 115.22 119.36 2jgk n HIS 387 Ca -0.29 -3.92 0.15 0.00 -0.26 0.00 0.00 57.72 53.40 2jgk n HIS 387 Cb 1.06 -0.47 0.65 0.00 1.12 0.00 0.00 29.99 32.36 2jgk n HIS 387 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2jgk h PRO 388 N 4.12 0.00 0.00 -0.41 0.11 -1.55 -3.09 132.00 131.18 2jgk h PRO 388 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2jgk h PRO 388 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2jgk h PRO 388 CO 0.69 0.00 -0.70 0.39 -0.21 0.00 0.00 178.00 178.17 2jgk n GLU 389 N -2.69 3.00 -1.73 1.05 -0.58 -1.26 -4.89 120.64 113.55 2jgk n GLU 389 Ca 0.01 -0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 2jgk n GLU 389 Cb 0.23 -1.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.18 6.36 0.42 1.62 2.15 -1.17 -4.72 116.67 119.15 2jgk s ASP 390 Ca 0.01 2.49 0.09 0.00 0.43 0.00 0.00 52.55 55.57 2jgk s ASP 390 Cb 0.06 -2.53 0.89 0.00 -0.30 0.00 0.00 42.92 41.04 2jgk s ASP 390 CO 0.37 -1.15 2.01 1.55 -0.17 0.00 0.00 175.17 177.78 2jgk h PRO 391 N 10.98 0.34 -0.35 4.34 0.13 -1.93 -1.99 132.00 143.51 2jgk h PRO 391 Ca -0.47 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2jgk h PRO 391 Cb 1.23 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2jgk h PRO 391 CO 0.95 0.32 0.20 1.15 -0.23 0.00 0.00 178.00 180.39 2jgk h THR 392 N 0.34 1.03 -0.31 1.56 2.02 -1.89 -0.01 112.91 115.64 2jgk h THR 392 Ca 0.08 -0.14 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 2jgk h THR 392 Cb 0.13 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2jgk h THR 392 CO -0.00 0.08 -0.31 0.45 0.37 0.00 0.00 175.52 176.10 2jgk h HIS 393 N 0.42 0.78 -0.10 3.16 3.86 -1.79 -0.09 115.15 121.39 2jgk h HIS 393 Ca 0.14 -0.20 -0.18 0.00 -1.16 0.00 0.00 60.37 58.97 2jgk h HIS 393 Cb 0.01 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 2jgk h HIS 393 CO -0.08 0.90 -0.70 -0.07 0.86 0.00 0.00 177.93 178.85 2jgk h LEU 394 N 0.57 0.52 0.34 2.43 3.38 -1.25 0.16 115.31 121.46 2jgk h LEU 394 Ca 0.07 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2jgk h LEU 394 Cb 0.82 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2jgk h LEU 394 CO 0.07 1.06 -0.16 -0.09 0.09 0.00 0.00 178.44 179.40 2jgk h ARG 395 N 0.31 -0.44 -0.12 1.13 1.12 -0.89 -0.86 114.38 114.63 2jgk h ARG 395 Ca -0.02 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2jgk h ARG 395 Cb 1.26 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.32 2jgk h ARG 395 CO 0.12 -0.18 -0.02 -0.44 -3.11 0.00 0.00 179.97 176.33 2jgk h ASP 396 N -0.64 0.15 -0.11 -3.80 3.32 -0.98 -2.71 116.42 111.65 2jgk h ASP 396 Ca -0.05 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2jgk h ASP 396 Cb 0.46 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2jgk h ASP 396 CO 0.08 0.21 -0.02 0.00 -1.72 0.00 0.00 179.24 177.78 2jgk h ALA 397 N 1.81 0.16 -0.57 3.45 0.00 -0.57 -1.91 119.26 121.63 2jgk h ALA 397 Ca 0.04 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.83 2jgk h ALA 397 Cb 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2jgk h ALA 397 CO 0.01 -0.11 0.15 1.98 0.00 0.00 0.00 179.25 181.27 2jgk h MET 398 N -0.09 0.29 -0.61 0.00 1.85 -0.85 0.12 114.93 115.63 2jgk h MET 398 Ca 0.03 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 59.20 2jgk h MET 398 Cb 0.43 -0.07 -0.07 0.00 0.43 0.00 0.00 31.60 32.32 2jgk h MET 398 CO 0.01 0.19 0.23 1.03 -0.40 0.00 0.00 176.91 177.98 2jgk h SER 399 N 0.30 0.24 0.04 1.39 0.87 -1.44 -2.54 113.55 112.41 2jgk h SER 399 Ca 0.29 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2jgk h SER 399 Cb 0.40 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2jgk h SER 399 CO -0.34 0.14 -0.02 0.00 -0.53 0.00 0.00 176.83 176.07 2jgk h ALA 400 N 1.42 -0.06 -0.59 6.23 0.00 -0.12 -0.47 119.26 125.67 2jgk h ALA 400 Ca 0.31 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.25 2jgk h ALA 400 Cb 0.38 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 2jgk h ALA 400 CO -0.30 -0.46 0.07 0.28 0.00 0.00 0.00 179.25 178.83 2jgk h VAL 401 N -0.21 0.59 -0.08 0.00 2.07 -0.67 0.42 116.25 118.36 2jgk h VAL 401 Ca -0.01 -0.06 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 2jgk h VAL 401 Cb 0.19 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2jgk h VAL 401 CO 0.01 0.03 -0.55 0.58 0.02 0.00 0.00 177.57 177.66 2jgk h VAL 402 N 0.18 1.37 0.18 2.57 2.07 -1.33 -1.61 116.25 119.68 2jgk h VAL 402 Ca 0.31 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.94 2jgk h VAL 402 Cb 0.47 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 2jgk h VAL 402 CO -0.45 0.57 -0.26 1.23 0.02 0.00 0.00 177.57 178.68 2jgk h GLY 403 N 0.10 -0.53 0.92 2.17 0.00 -0.69 -2.76 103.07 102.28 2jgk h GLY 403 Ca -0.05 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2jgk h GLY 403 CO 0.11 -0.23 -0.08 -0.55 0.00 0.00 0.00 176.54 175.80 2jgk h ASP 404 N -0.51 -0.19 -0.80 0.19 3.32 -0.19 0.15 116.42 118.40 2jgk h ASP 404 Ca 0.02 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.05 2jgk h ASP 404 Cb 0.51 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 2jgk h ASP 404 CO -0.11 -0.06 0.50 -0.74 -1.72 0.00 0.00 179.24 177.10 2jgk h HIS 405 N -0.30 0.93 0.00 4.55 -0.00 -1.34 -0.87 115.15 118.12 2jgk h HIS 405 Ca -0.02 0.03 -0.31 0.00 -0.00 0.00 0.00 60.37 60.07 2jgk h HIS 405 Cb 0.23 -0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 27.29 2jgk h HIS 405 CO -0.04 0.50 -2.04 0.09 -0.00 0.00 0.00 177.93 176.44 2jgk n ASN 406 N -4.63 0.40 0.06 3.26 3.02 -1.04 -4.50 115.26 111.83 2jgk n ASN 406 Ca 0.10 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 2jgk n ASN 406 Cb 0.13 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 2jgk n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jgk n VAL 407 N -2.85 1.03 0.04 2.41 0.31 0.45 -4.72 118.33 115.01 2jgk n VAL 407 Ca -0.24 0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 64.31 2jgk n VAL 407 Cb 1.07 -1.42 -0.07 0.00 -0.91 0.00 0.00 33.84 32.50 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 1.02 -0.19 2.52 2.07 -1.30 0.58 116.25 120.96 2jgk h VAL 408 Ca 0.00 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 2jgk h VAL 408 Cb 0.00 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2jgk h VAL 408 CO 0.00 0.03 -0.37 0.00 0.02 0.00 0.00 177.57 177.25 2jgk h PRO 410 N 0.24 0.86 -0.24 0.00 0.11 -1.71 0.11 132.00 131.38 2jgk h PRO 410 Ca 0.01 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 2jgk h PRO 410 Cb 0.97 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 2jgk h PRO 410 CO 0.08 0.57 -0.38 0.28 -0.21 0.00 0.00 178.00 178.34 2jgk h VAL 411 N 0.88 1.30 -0.59 3.15 2.07 -0.18 -1.48 116.25 121.40 2jgk h VAL 411 Ca 0.53 -1.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 2jgk h VAL 411 Cb 0.68 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2jgk h VAL 411 CO -0.31 0.48 -0.01 0.00 0.02 0.00 0.00 177.57 177.75 2jgk h ALA 412 N 1.14 0.85 -0.20 1.67 0.00 -0.33 -2.23 119.26 120.16 2jgk h ALA 412 Ca 0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2jgk h ALA 412 Cb 0.87 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jgk h ALA 412 CO 0.07 0.67 -0.16 0.37 0.00 0.00 0.00 179.25 180.20 2jgk h GLN 413 N 0.96 0.45 -0.50 0.00 4.15 -0.39 -1.53 115.11 118.25 2jgk h GLN 413 Ca 0.17 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 2jgk h GLN 413 Cb 0.57 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 2jgk h GLN 413 CO 0.03 0.79 0.07 1.25 -1.93 0.00 0.00 178.83 179.05 2jgk h LEU 414 N 0.13 0.80 -0.74 -2.39 5.85 -1.31 -1.00 115.31 116.65 2jgk h LEU 414 Ca 0.04 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2jgk h LEU 414 Cb 0.69 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2jgk h LEU 414 CO 0.04 0.86 0.49 0.00 -0.34 0.00 0.00 178.44 179.49 2jgk h ALA 415 N 0.97 0.95 -0.34 1.25 0.00 -1.30 0.35 119.26 121.15 2jgk h ALA 415 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jgk h ALA 415 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2jgk h ALA 415 CO 0.01 0.34 0.22 0.78 0.00 0.00 0.00 179.25 180.60 2jgk h GLY 416 N 0.99 0.47 1.09 0.00 0.00 -1.08 -2.40 103.07 102.14 2jgk h GLY 416 Ca 0.28 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.29 2jgk h GLY 416 CO -0.07 0.16 -0.36 3.21 0.00 0.00 0.00 176.54 179.48 2jgk h ARG 417 N 0.44 0.88 -0.54 4.80 2.47 -0.21 -0.36 114.38 121.87 2jgk h ARG 417 Ca 0.13 -0.47 -0.04 0.00 -1.26 0.00 0.00 59.98 58.34 2jgk h ARG 417 Cb -0.04 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 2jgk h ARG 417 CO -0.04 1.11 0.16 -0.07 0.56 0.00 0.00 179.97 181.70 2jgk h LEU 418 N 0.68 0.79 -0.13 3.04 3.38 -1.00 -0.53 115.31 121.54 2jgk h LEU 418 Ca 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2jgk h LEU 418 Cb 0.95 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2jgk h LEU 418 CO 0.09 0.79 0.06 0.00 0.09 0.00 0.00 178.44 179.46 2jgk h ALA 419 N 1.03 0.17 -0.98 1.53 0.00 -1.34 0.20 119.26 119.86 2jgk h ALA 419 Ca 0.17 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jgk h ALA 419 Cb 0.29 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2jgk h ALA 419 CO -0.00 -0.25 0.62 0.00 0.00 0.00 0.00 179.25 179.61 2jgk h ALA 420 N 0.91 1.40 -0.97 0.00 0.00 -0.88 -2.63 119.26 117.09 2jgk h ALA 420 Ca 0.04 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 2jgk h ALA 420 Cb 0.15 -0.26 -0.30 0.00 0.00 0.00 0.00 17.79 17.38 2jgk h ALA 420 CO -0.00 0.34 0.66 1.04 0.00 0.00 0.00 179.25 181.28 2jgk n GLN 421 N -4.57 2.32 -0.45 0.00 3.00 -0.22 -4.93 117.38 112.53 2jgk n GLN 421 Ca 0.16 -3.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.08 2jgk n GLN 421 Cb 0.24 -2.18 0.00 0.00 0.00 0.00 0.00 30.24 28.30 2jgk n GLN 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jgk n GLY 422 N -1.11 0.73 3.80 1.08 0.00 -0.95 -2.03 105.19 106.72 2jgk n GLY 422 Ca 0.59 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.75 2.24 -0.34 4.61 0.00 0.64 -4.21 121.76 121.96 2jgk s ALA 423 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 2jgk s ALA 423 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2jgk s ALA 423 CO 0.00 -1.72 0.18 0.50 0.00 0.00 0.00 175.76 174.72 2jgk s ARG 424 N -5.10 3.15 -0.15 0.00 3.52 -0.01 -4.41 118.95 115.96 2jgk s ARG 424 Ca 0.61 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2jgk s ARG 424 Cb -0.15 -3.65 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 2jgk s ARG 424 CO 0.55 -0.53 -0.13 0.08 -0.81 0.00 0.00 175.30 174.47 2jgk s VAL 425 N 1.60 3.01 -0.10 7.11 1.01 -1.26 -0.45 120.40 131.31 2jgk s VAL 425 Ca 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2jgk s VAL 425 Cb -0.18 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2jgk s VAL 425 CO 0.07 0.51 -0.13 -0.31 0.00 0.00 0.00 175.10 175.23 2jgk s TYR 426 N 0.57 2.78 0.07 5.22 1.51 0.26 0.21 117.35 127.96 2jgk s TYR 426 Ca -0.08 -0.48 0.05 0.00 -1.01 0.00 0.00 57.07 55.55 2jgk s TYR 426 Cb -0.16 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 2jgk s TYR 426 CO 0.03 -0.08 -0.15 0.00 -1.11 0.00 0.00 175.55 174.25 2jgk s ALA 427 N -0.01 1.21 0.11 3.71 0.00 -1.25 0.09 121.76 125.63 2jgk s ALA 427 Ca -0.04 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 2jgk s ALA 427 Cb -0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2jgk s ALA 427 CO 0.04 0.18 0.00 1.52 0.00 0.00 0.00 175.76 177.51 2jgk s TYR 428 N -1.24 0.84 -0.06 0.00 -0.85 -0.25 -1.85 117.35 113.93 2jgk s TYR 428 Ca -0.01 -1.10 0.04 0.00 -0.52 0.00 0.00 57.07 55.47 2jgk s TYR 428 Cb -0.10 -0.50 0.00 0.00 0.38 0.00 0.00 41.96 41.74 2jgk s TYR 428 CO 0.02 -0.37 -0.17 -1.50 -1.52 0.00 0.00 175.55 172.01 2jgk s ILE 429 N -3.88 1.50 -0.29 -3.49 2.07 -0.21 -2.06 121.20 114.84 2jgk s ILE 429 Ca 0.18 -0.73 -0.11 0.00 -1.41 0.00 0.00 60.65 58.58 2jgk s ILE 429 Cb 0.07 -1.30 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 2jgk s ILE 429 CO -0.02 0.43 0.19 0.12 -1.91 0.00 0.00 174.94 173.75 2jgk s PHE 430 N 0.24 3.20 0.00 3.50 2.19 0.13 0.31 117.98 127.55 2jgk s PHE 430 Ca -0.09 -0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.09 2jgk s PHE 430 Cb -0.14 -2.38 0.00 0.00 -1.31 0.00 0.00 43.02 39.19 2jgk s PHE 430 CO 0.04 -0.25 0.89 0.39 1.83 0.00 0.00 175.22 178.12 2jgk n GLU 431 N 5.05 2.16 -3.37 10.12 1.02 0.71 -0.41 120.64 135.91 2jgk n GLU 431 Ca -0.14 -1.29 -0.39 0.00 -0.02 0.00 0.00 57.16 55.32 2jgk n GLU 431 Cb 0.51 -1.00 -0.09 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.79 3.24 -0.23 -0.32 2.46 -1.25 -4.94 115.29 113.46 2jgk s HIS 432 Ca 0.00 0.38 -0.22 0.00 0.47 0.00 0.00 55.06 55.69 2jgk s HIS 432 Cb 0.00 -2.62 -0.01 0.00 -0.13 0.00 0.00 32.58 29.82 2jgk s HIS 432 CO 0.00 -0.27 0.72 0.50 -2.47 0.00 0.00 174.74 173.22 2jgk s ARG 433 N 2.11 4.17 0.17 2.88 3.52 -1.26 -4.93 118.95 125.60 2jgk s ARG 433 Ca 0.15 0.75 -0.34 0.00 -0.13 0.00 0.00 55.73 56.17 2jgk s ARG 433 Cb -0.16 -3.63 -0.14 0.00 -1.56 0.00 0.00 34.95 29.46 2jgk s ARG 433 CO 0.10 -0.42 1.53 0.00 -0.81 0.00 0.00 175.30 175.70 2jgk n ALA 434 N 5.69 1.14 -0.32 6.12 0.00 -1.26 -4.90 120.51 126.97 2jgk n ALA 434 Ca 0.02 0.45 0.02 0.00 0.00 0.00 0.00 53.44 53.92 2jgk n ALA 434 Cb 0.48 -2.32 0.20 0.00 0.00 0.00 0.00 19.45 17.82 2jgk n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jgk h SER 435 N 5.52 0.99 0.00 0.00 4.64 -1.96 -2.05 113.55 120.68 2jgk h SER 435 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jgk h SER 435 Cb 1.26 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2jgk h SER 435 CO 0.86 0.67 0.00 0.35 -0.87 0.00 0.00 176.83 177.83 2jgk n THR 436 N -4.45 0.00 -2.33 2.95 -2.24 -1.26 -4.93 114.28 102.01 2jgk n THR 436 Ca 0.13 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.55 2jgk n THR 436 Cb 0.12 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 2jgk n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jgk s LEU 437 N -0.57 3.85 -0.00 3.22 2.96 -0.77 -4.96 118.68 122.40 2jgk s LEU 437 Ca 0.00 2.15 0.08 0.00 -0.22 0.00 0.00 54.13 56.14 2jgk s LEU 437 Cb 0.00 -4.48 -0.10 0.00 0.50 0.00 0.00 46.19 42.10 2jgk s LEU 437 CO 0.00 -1.02 0.31 0.35 -1.32 0.00 0.00 176.35 174.67 2jgk n THR 438 N -0.99 0.00 -1.84 3.68 -2.24 -1.26 -5.00 114.28 106.64 2jgk n THR 438 Ca 0.10 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 2jgk n THR 438 Cb 0.51 0.79 0.05 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.03 3.31 0.76 4.78 0.52 -1.26 -4.91 118.94 120.10 2jgk s TRP 439 Ca 0.01 1.10 -0.11 0.00 0.02 0.00 0.00 56.10 57.12 2jgk s TRP 439 Cb 0.06 -3.03 0.05 0.00 -1.15 0.00 0.00 33.47 29.40 2jgk s TRP 439 CO 0.35 -1.18 1.09 -1.25 0.02 0.00 0.00 176.95 175.98 2jgk s PRO 440 N -5.31 2.39 0.50 4.98 0.04 -1.26 -4.92 135.00 131.41 2jgk s PRO 440 Ca 0.58 0.63 0.16 0.00 0.04 0.00 0.00 61.00 62.41 2jgk s PRO 440 Cb -0.11 -1.95 1.21 0.00 0.04 0.00 0.00 34.50 33.68 2jgk s PRO 440 CO 0.52 -1.40 2.08 -0.07 0.04 0.00 0.00 177.00 178.18 2jgk h LEU 441 N -0.93 0.12 -0.17 -3.56 3.38 -1.96 -2.30 115.31 109.89 2jgk h LEU 441 Ca -0.46 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2jgk h LEU 441 Cb 1.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2jgk h LEU 441 CO 0.60 0.08 0.00 -2.67 0.09 0.00 0.00 178.44 176.54 2jgk n TRP 442 N -4.49 0.13 1.11 1.13 4.27 -1.26 -1.16 117.44 117.17 2jgk n TRP 442 Ca 0.02 0.06 0.13 0.00 -3.89 0.00 0.00 57.50 53.81 2jgk n TRP 442 Cb 0.23 -0.59 0.33 0.00 -1.36 0.00 0.00 31.31 29.92 2jgk n TRP 442 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 2jgk n MET 443 N -1.62 0.33 0.00 -2.67 2.81 -0.86 -5.00 117.12 110.10 2jgk n MET 443 Ca 0.02 -0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 2jgk n MET 443 Cb 0.10 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 1.43 4.15 3.16 3.03 0.00 -0.31 -3.61 105.19 113.04 2jgk n GLY 444 Ca 0.08 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 3.93 0.36 1.61 1.01 -1.26 -4.84 120.40 121.21 2jgk s VAL 445 Ca 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 61.98 59.64 2jgk s VAL 445 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2jgk s VAL 445 CO 0.00 -0.81 0.64 -2.16 0.00 0.00 0.00 175.10 172.78 2jgk s PRO 446 N 0.75 3.62 -0.31 2.72 0.05 -1.24 -1.58 135.00 139.02 2jgk s PRO 446 Ca 0.11 0.08 -0.35 0.00 0.05 0.00 0.00 61.00 60.89 2jgk s PRO 446 Cb -0.22 -2.54 -0.15 0.00 0.05 0.00 0.00 34.50 31.63 2jgk s PRO 446 CO -0.03 0.07 1.14 1.58 0.05 0.00 0.00 177.00 179.80 2jgk n HIS 447 N -1.43 1.17 0.00 0.56 -0.00 -1.24 -1.75 115.22 112.53 2jgk n HIS 447 Ca -0.01 0.86 0.00 0.00 -0.00 0.00 0.00 57.72 58.58 2jgk n HIS 447 Cb 0.55 -1.68 0.00 0.00 -0.00 0.00 0.00 29.99 28.85 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 2.67 2.13 1.00 1.57 0.00 -1.26 -4.96 105.19 106.34 2jgk n GLY 448 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.15 0.68 -0.11 1.61 4.02 -0.72 -2.62 117.16 119.87 2jgk n TYR 449 Ca 0.00 -0.34 -0.12 0.00 -0.01 0.00 0.00 57.90 57.42 2jgk n TYR 449 Cb 0.00 -0.27 -0.15 0.00 -0.02 0.00 0.00 39.34 38.90 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 0.15 0.68 -0.19 -0.72 0.00 -1.26 -4.61 120.64 114.69 2jgk n GLU 450 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2jgk n GLU 450 Cb 0.59 -1.52 0.10 0.00 0.00 0.00 0.00 31.44 30.61 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 0.57 -0.58 3.84 2.04 -1.88 -0.06 117.51 121.45 2jgk h ILE 451 Ca -0.56 -0.06 0.12 0.00 1.00 0.00 0.00 64.86 65.37 2jgk h ILE 451 Cb 2.15 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 2jgk h ILE 451 CO -0.00 0.03 0.39 1.05 0.00 0.00 0.00 178.15 179.62 2jgk h GLU 452 N 0.16 0.26 0.09 2.37 4.11 -1.79 -0.32 114.58 119.47 2jgk h GLU 452 Ca 0.31 -0.02 -0.23 0.00 0.07 0.00 0.00 59.36 59.49 2jgk h GLU 452 Cb 0.48 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.69 2jgk h GLU 452 CO -0.46 0.17 -0.96 0.74 0.07 0.00 0.00 179.01 178.57 2jgk h PHE 453 N 0.27 0.79 -0.75 2.06 0.04 -1.31 -1.41 116.94 116.63 2jgk h PHE 453 Ca 0.27 -0.50 -0.01 0.00 2.80 0.00 0.00 57.97 60.53 2jgk h PHE 453 Cb 0.71 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.76 2jgk h PHE 453 CO -0.00 1.35 0.41 0.82 -0.60 0.00 0.00 178.31 180.29 2jgk h ILE 454 N 0.02 1.22 0.00 -0.55 1.08 -0.64 -2.47 117.51 116.16 2jgk h ILE 454 Ca -0.15 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 2jgk h ILE 454 Cb 1.68 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2jgk h ILE 454 CO 0.18 0.25 0.00 0.49 -0.69 0.00 0.00 178.15 178.38 2jgk n PHE 455 N -4.36 0.31 -0.32 1.37 3.01 -0.23 -4.48 117.46 112.75 2jgk n PHE 455 Ca 0.08 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.63 2jgk n PHE 455 Cb 0.10 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 38.92 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 1.29 0.81 0.36 1.37 0.00 -0.93 -3.87 105.19 104.21 2jgk n GLY 456 Ca 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 0.97 -1.18 0.99 4.07 -1.48 -1.94 115.31 116.74 2jgk h LEU 457 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2jgk h LEU 457 Cb 0.00 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.50 2jgk h LEU 457 CO 0.00 0.72 0.00 -2.65 -1.08 0.00 0.00 178.44 175.43 2jgk n PRO 458 N -4.39 0.14 0.00 1.13 -0.02 -1.26 -1.75 135.00 128.85 2jgk n PRO 458 Ca 0.09 0.58 0.07 0.00 -2.02 0.00 0.00 63.50 62.22 2jgk n PRO 458 Cb 0.04 -1.91 0.37 0.00 -0.02 0.00 0.00 33.50 31.98 2jgk n PRO 458 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jgk n LEU 459 N -2.21 0.00 -4.48 2.45 4.77 -0.73 -4.49 117.00 112.32 2jgk n LEU 459 Ca -0.01 0.34 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 2jgk n LEU 459 Cb 0.08 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 2jgk n LEU 459 CO 0.11 -0.17 0.09 -0.62 -1.33 0.00 0.00 177.39 175.47 2jgk s ASP 460 N -2.67 6.18 0.38 -1.43 -1.08 -0.72 -4.79 116.67 112.54 2jgk s ASP 460 Ca 0.13 -0.70 0.09 0.00 -0.52 0.00 0.00 52.55 51.55 2jgk s ASP 460 Cb 0.10 -2.22 0.75 0.00 -1.46 0.00 0.00 42.92 40.10 2jgk s ASP 460 CO 0.24 -0.56 1.90 -0.65 0.52 0.00 0.00 175.17 176.62 2jgk h PRO 461 N 8.71 0.25 0.00 4.34 0.11 -1.88 -2.14 132.00 141.39 2jgk h PRO 461 Ca -0.26 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2jgk h PRO 461 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jgk h PRO 461 CO 0.79 0.40 0.00 -1.13 -0.21 0.00 0.00 178.00 177.84 2jgk n SER 462 N -4.26 0.00 -0.24 -2.05 3.41 -1.26 -2.24 113.62 106.97 2jgk n SER 462 Ca -0.01 0.23 0.08 0.00 -0.26 0.00 0.00 58.87 58.92 2jgk n SER 462 Cb 0.28 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.24 1.36 -3.55 1.04 4.77 -0.81 -5.01 117.00 113.58 2jgk n LEU 463 Ca 0.00 -0.66 -0.23 0.00 -0.03 0.00 0.00 56.01 55.09 2jgk n LEU 463 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2jgk n LEU 463 CO 0.00 0.28 0.23 0.59 -1.33 0.00 0.00 177.39 177.16 2jgk n ASN 464 N -0.60 -5.77 -4.76 -1.43 5.03 -0.95 -5.00 115.26 101.78 2jgk n ASN 464 Ca 0.06 -0.55 -0.40 0.00 0.87 0.00 0.00 54.58 54.56 2jgk n ASN 464 Cb 0.33 -5.00 -0.06 0.00 -1.02 0.00 0.00 39.78 34.03 2jgk n ASN 464 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2jgk s TYR 465 N -3.32 3.86 0.67 3.10 2.02 -1.26 -4.79 117.35 117.62 2jgk s TYR 465 Ca 0.50 1.64 -0.17 0.00 -0.37 0.00 0.00 57.07 58.68 2jgk s TYR 465 Cb -0.22 -2.84 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 2jgk s TYR 465 CO 0.72 0.40 0.81 0.25 -1.57 0.00 0.00 175.55 176.16 2jgk n THR 466 N 2.09 2.82 0.26 -0.71 -2.24 -1.26 -4.76 114.28 110.48 2jgk n THR 466 Ca -0.03 -0.44 0.10 0.00 -2.27 0.00 0.00 64.05 61.41 2jgk n THR 466 Cb 0.49 -0.98 0.68 0.00 -2.10 0.00 0.00 70.33 68.42 2jgk n THR 466 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jgk h THR 467 N -0.01 0.87 0.02 4.28 1.03 -1.97 -1.37 112.91 115.75 2jgk h THR 467 Ca -0.47 -0.24 -0.00 0.00 -0.01 0.00 0.00 66.41 65.69 2jgk h THR 467 Cb 1.36 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 2jgk h THR 467 CO 0.47 0.06 -0.01 -0.33 -0.01 0.00 0.00 175.52 175.71 2jgk h GLU 468 N 0.00 -0.02 -0.59 0.00 3.07 -2.01 -3.13 114.58 111.90 2jgk h GLU 468 Ca -0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 2jgk h GLU 468 Cb 0.13 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 2jgk h GLU 468 CO 0.01 0.26 0.40 0.93 -1.40 0.00 0.00 179.01 179.20 2jgk h GLU 469 N -0.30 0.45 -0.13 2.33 5.08 -1.63 -0.15 114.58 120.23 2jgk h GLU 469 Ca -0.00 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2jgk h GLU 469 Cb 0.29 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2jgk h GLU 469 CO 0.00 0.30 -0.22 -0.09 -1.00 0.00 0.00 179.01 178.00 2jgk h ARG 470 N 0.46 0.23 0.07 2.33 1.12 -1.31 -1.46 114.38 115.83 2jgk h ARG 470 Ca 0.27 -0.07 -0.18 0.00 -1.11 0.00 0.00 59.98 58.89 2jgk h ARG 470 Cb 0.45 -0.02 0.02 0.00 -0.01 0.00 0.00 29.97 30.41 2jgk h ARG 470 CO -0.08 0.44 -0.74 0.82 -3.11 0.00 0.00 179.97 177.31 2jgk h ILE 471 N 0.21 1.46 -0.87 1.20 2.04 -1.01 -3.01 117.51 117.53 2jgk h ILE 471 Ca 0.04 -2.32 0.17 0.00 1.00 0.00 0.00 64.86 63.76 2jgk h ILE 471 Cb 0.51 2.89 -0.11 0.00 -0.74 0.00 0.00 36.82 39.37 2jgk h ILE 471 CO 0.03 0.67 0.42 0.15 0.00 0.00 0.00 178.15 179.42 2jgk h PHE 472 N -0.21 0.72 0.15 1.37 3.57 -1.22 -0.58 116.94 120.74 2jgk h PHE 472 Ca -0.11 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 2jgk h PHE 472 Cb 1.50 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 2jgk h PHE 472 CO 0.17 0.10 -0.11 0.00 -2.23 0.00 0.00 178.31 176.24 2jgk h ALA 473 N 1.61 -0.24 -0.87 2.41 0.00 -1.29 -1.15 119.26 119.73 2jgk h ALA 473 Ca 0.50 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.43 2jgk h ALA 473 Cb 0.81 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2jgk h ALA 473 CO -0.42 -0.65 0.57 1.96 0.00 0.00 0.00 179.25 180.71 2jgk h GLN 474 N -0.26 0.94 0.41 0.00 4.20 -1.04 0.80 115.11 120.16 2jgk h GLN 474 Ca -0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2jgk h GLN 474 Cb 0.23 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2jgk h GLN 474 CO -0.00 0.62 -0.21 0.00 -0.67 0.00 0.00 178.83 178.58 2jgk h ARG 475 N 0.97 -0.54 -0.92 1.46 3.08 -0.81 -0.56 114.38 117.05 2jgk h ARG 475 Ca 0.37 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.47 2jgk h ARG 475 Cb 0.21 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 2jgk h ARG 475 CO -0.14 -0.36 0.61 -0.07 -1.07 0.00 0.00 179.97 178.94 2jgk h LEU 476 N -0.57 1.05 -1.26 3.04 3.38 -0.23 -0.13 115.31 120.60 2jgk h LEU 476 Ca -0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2jgk h LEU 476 Cb 0.44 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2jgk h LEU 476 CO 0.09 0.76 0.05 0.24 0.09 0.00 0.00 178.44 179.67 2jgk h MET 477 N 1.24 0.56 -0.33 1.13 2.86 -0.68 -0.35 114.93 119.35 2jgk h MET 477 Ca 0.34 -0.10 -0.15 0.00 -2.06 0.00 0.00 59.70 57.73 2jgk h MET 477 Cb -0.14 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.43 2jgk h MET 477 CO -0.08 0.54 -0.36 0.87 1.06 0.00 0.00 176.91 178.94 2jgk h LYS 478 N 0.54 0.84 0.12 1.72 1.57 -0.04 -2.01 116.57 119.31 2jgk h LYS 478 Ca 0.12 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2jgk h LYS 478 Cb 0.27 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2jgk h LYS 478 CO 0.00 1.09 -0.06 1.88 -0.57 0.00 0.00 179.45 181.79 2jgk h TYR 479 N 0.62 -0.16 0.40 -1.35 0.05 -0.20 0.15 116.97 116.49 2jgk h TYR 479 Ca 0.05 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 2jgk h TYR 479 Cb 0.95 0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.75 2jgk h TYR 479 CO 0.07 -0.10 -0.19 -1.49 -1.05 0.00 0.00 178.16 175.40 2jgk h TRP 480 N -0.17 -0.50 -0.26 4.88 -0.00 -1.14 -0.57 115.95 118.18 2jgk h TRP 480 Ca -0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.81 2jgk h TRP 480 Cb 0.13 0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.44 2jgk h TRP 480 CO -0.07 -0.26 -0.05 1.79 -0.00 0.00 0.00 178.44 179.85 2jgk h THR 481 N -0.64 1.19 -0.45 1.49 1.35 -1.38 0.29 112.91 114.76 2jgk h THR 481 Ca -0.06 -0.77 -0.07 0.00 -0.55 0.00 0.00 66.41 64.97 2jgk h THR 481 Cb 0.47 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 2jgk h THR 481 CO 0.09 0.25 0.01 0.78 -0.25 0.00 0.00 175.52 176.41 2jgk h ASN 482 N 0.39 0.77 -0.58 5.36 2.35 -0.56 0.19 115.58 123.50 2jgk h ASN 482 Ca 0.08 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 2jgk h ASN 482 Cb 0.34 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 2jgk h ASN 482 CO 0.01 0.88 0.21 0.15 -1.65 0.00 0.00 177.43 177.04 2jgk h PHE 483 N 0.64 0.93 -0.46 1.19 3.57 -0.68 -1.63 116.94 120.50 2jgk h PHE 483 Ca 0.13 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2jgk h PHE 483 Cb 0.48 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2jgk h PHE 483 CO 0.04 0.74 0.18 0.00 -2.23 0.00 0.00 178.31 177.03 2jgk h ALA 484 N 1.34 0.60 -0.57 2.41 0.00 0.35 0.91 119.26 124.30 2jgk h ALA 484 Ca 0.21 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2jgk h ALA 484 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jgk h ALA 484 CO -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.41 2jgk h ARG 485 N 0.60 1.01 0.00 0.00 3.08 -0.47 -3.40 114.38 115.20 2jgk h ARG 485 Ca 0.15 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2jgk h ARG 485 Cb 0.20 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2jgk h ARG 485 CO -0.01 1.01 -0.31 0.25 -1.07 0.00 0.00 179.97 179.84 2jgk n THR 486 N -4.17 0.00 -0.88 2.04 -2.24 -0.63 -5.00 114.28 103.40 2jgk n THR 486 Ca 0.02 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2jgk n THR 486 Cb 0.36 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.04 0.70 2.65 3.38 0.00 0.31 -5.02 105.19 108.25 2jgk n GLY 487 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.37 2.01 0.00 1.61 -1.08 -1.26 -4.88 116.67 110.70 2jgk s ASP 488 Ca 0.00 -0.45 0.07 0.00 -0.52 0.00 0.00 52.55 51.65 2jgk s ASP 488 Cb 0.00 -0.12 0.31 0.00 -1.46 0.00 0.00 42.92 41.66 2jgk s ASP 488 CO 0.00 -0.33 1.21 -0.81 0.52 0.00 0.00 175.17 175.75 2jgk n PRO 489 N 5.29 0.02 -2.73 4.34 -0.04 -1.26 -3.41 135.00 137.21 2jgk n PRO 489 Ca -0.06 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 2jgk n PRO 489 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2jgk n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jgk s ASN 490 N -2.93 7.60 -0.21 3.54 0.01 -1.26 -4.36 114.94 117.33 2jgk s ASN 490 Ca 0.04 1.94 -0.29 0.00 -0.71 0.00 0.00 52.86 53.84 2jgk s ASN 490 Cb 0.05 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 2jgk s ASN 490 CO 0.13 0.11 1.75 -0.62 -1.51 0.00 0.00 177.10 176.95 2jgk s ASP 491 N -0.97 6.20 0.00 -1.22 -1.08 -1.26 -4.86 116.67 113.49 2jgk s ASP 491 Ca 0.42 1.71 0.16 0.00 -0.52 0.00 0.00 52.55 54.33 2jgk s ASP 491 Cb -0.26 -2.53 0.76 0.00 -1.46 0.00 0.00 42.92 39.43 2jgk s ASP 491 CO 0.32 -1.39 1.48 -0.81 0.52 0.00 0.00 175.17 175.29 2jgk n PRO 492 N 7.90 0.14 -2.67 4.34 -0.04 -1.26 -1.42 135.00 141.99 2jgk n PRO 492 Ca 0.21 0.17 -0.23 0.00 -0.04 0.00 0.00 63.50 63.61 2jgk n PRO 492 Cb 0.45 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 2jgk n PRO 492 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jgk n ARG 493 N -1.37 2.76 -3.38 0.54 5.12 -1.26 -4.90 116.66 114.17 2jgk n ARG 493 Ca 0.06 -4.26 -0.20 0.00 -1.93 0.00 0.00 57.85 51.52 2jgk n ARG 493 Cb 0.15 -2.01 -0.09 0.00 -1.16 0.00 0.00 32.46 29.35 2jgk n ARG 493 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2jgk s ASP 494 N -3.36 1.61 1.27 0.55 2.15 -0.51 -5.12 116.67 113.27 2jgk s ASP 494 Ca 0.44 -1.78 -0.17 0.00 0.43 0.00 0.00 52.55 51.46 2jgk s ASP 494 Cb 0.38 0.31 0.32 0.00 -0.30 0.00 0.00 42.92 43.62 2jgk s ASP 494 CO -0.13 -0.27 1.00 -0.55 -0.17 0.00 0.00 175.17 175.05 2jgk s SER 495 N 1.29 0.19 -1.05 -0.34 0.15 -1.26 -4.44 113.70 108.24 2jgk s SER 495 Ca 0.18 1.13 -0.16 0.00 0.70 0.00 0.00 55.95 57.80 2jgk s SER 495 Cb -0.17 -1.69 -0.01 0.00 -1.71 0.00 0.00 66.02 62.44 2jgk s SER 495 CO -0.02 -4.63 0.76 1.17 1.20 0.00 0.00 173.24 171.73 2jgk n LYS 496 N -5.17 -1.28 0.00 5.44 3.00 -1.26 -4.97 118.16 113.92 2jgk n LYS 496 Ca 0.08 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 2jgk n LYS 496 Cb 0.57 -4.13 0.00 0.00 0.00 0.00 0.00 35.03 31.47 2jgk n LYS 496 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jgk n SER 497 N -2.56 0.00 -4.87 3.14 7.64 -1.26 -5.04 113.62 110.66 2jgk n SER 497 Ca -0.11 0.04 -0.30 0.00 1.01 0.00 0.00 58.87 59.50 2jgk n SER 497 Cb 0.59 -0.05 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 2jgk n SER 497 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2jgk s PRO 498 N -0.11 2.94 0.48 1.43 0.04 -1.26 -4.80 135.00 133.72 2jgk s PRO 498 Ca 0.00 0.56 -0.21 0.00 0.04 0.00 0.00 61.00 61.39 2jgk s PRO 498 Cb 0.00 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 2jgk s PRO 498 CO 0.00 -0.99 1.04 -0.65 0.04 0.00 0.00 177.00 176.44 2jgk s GLN 499 N -5.29 3.83 -0.56 4.56 -1.52 -1.26 -4.86 119.66 114.56 2jgk s GLN 499 Ca 0.58 1.39 -0.25 0.00 -1.95 0.00 0.00 55.36 55.13 2jgk s GLN 499 Cb -0.11 -2.15 0.04 0.00 -0.22 0.00 0.00 33.01 30.57 2jgk s GLN 499 CO 0.53 -0.41 0.99 -0.46 -0.25 0.00 0.00 175.29 175.69 2jgk s TRP 500 N -1.93 2.75 0.40 0.91 -0.11 -1.26 -4.94 118.94 114.76 2jgk s TRP 500 Ca 0.66 0.02 -0.24 0.00 1.22 0.00 0.00 56.10 57.77 2jgk s TRP 500 Cb -0.17 -4.16 -0.09 0.00 -1.50 0.00 0.00 33.47 27.55 2jgk s TRP 500 CO 0.21 -1.42 1.05 -2.14 -4.62 0.00 0.00 176.95 170.03 2jgk s PRO 501 N 4.14 4.14 0.44 5.86 0.02 -1.26 -4.92 135.00 143.42 2jgk s PRO 501 Ca 0.32 1.49 -0.25 0.00 0.02 0.00 0.00 61.00 62.58 2jgk s PRO 501 Cb -0.12 -2.51 -0.08 0.00 0.02 0.00 0.00 34.50 31.81 2jgk s PRO 501 CO 0.20 -0.16 1.34 -2.14 -0.33 0.00 0.00 177.00 175.91 2jgk s PRO 502 N -2.56 3.77 -0.13 5.54 0.02 -1.26 -4.68 135.00 135.70 2jgk s PRO 502 Ca 0.58 2.23 -0.29 0.00 0.02 0.00 0.00 61.00 63.54 2jgk s PRO 502 Cb -0.21 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.64 2jgk s PRO 502 CO 0.27 -0.68 1.20 -0.47 -0.33 0.00 0.00 177.00 176.99 2jgk s TYR 503 N -1.26 3.06 0.25 6.54 6.14 0.55 -4.59 117.35 128.03 2jgk s TYR 503 Ca 0.60 1.17 0.09 0.00 0.64 0.00 0.00 57.07 59.57 2jgk s TYR 503 Cb -0.40 -3.43 -0.05 0.00 0.42 0.00 0.00 41.96 38.50 2jgk s TYR 503 CO 0.50 -1.34 -0.14 0.95 0.64 0.00 0.00 175.55 176.16 2jgk s THR 504 N 2.95 1.96 0.23 4.34 -4.23 -1.26 -4.31 115.64 115.32 2jgk s THR 504 Ca 0.53 -2.25 0.09 0.00 -1.18 0.00 0.00 61.69 58.88 2jgk s THR 504 Cb -0.22 -2.23 -0.08 0.00 1.34 0.00 0.00 72.50 71.32 2jgk s THR 504 CO 0.16 -0.46 1.52 0.71 -0.54 0.00 0.00 174.62 176.00 2jgk h THR 505 N 2.39 1.51 0.00 3.99 1.35 -1.90 -0.31 112.91 119.95 2jgk h THR 505 Ca -0.39 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.00 2jgk h THR 505 Cb 1.24 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 2jgk h THR 505 CO 0.63 0.71 0.00 0.00 -0.25 0.00 0.00 175.52 176.61 2jgk n ALA 506 N -2.41 -0.26 -0.10 6.62 0.00 -1.26 -4.40 120.51 118.69 2jgk n ALA 506 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2jgk n ALA 506 Cb 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 2jgk n ALA 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jgk h ALA 507 N -2.00 0.50 -2.24 0.00 0.00 -1.97 -3.48 119.26 110.07 2jgk h ALA 507 Ca 0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 2jgk h ALA 507 Cb 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jgk h ALA 507 CO 0.00 0.59 -0.30 1.04 0.00 0.00 0.00 179.25 180.58 2jgk n GLN 508 N -4.12 -2.03 -2.75 0.00 6.02 -0.13 -4.42 117.38 109.95 2jgk n GLN 508 Ca -0.03 0.49 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 2jgk n GLN 508 Cb 0.53 -4.48 -0.03 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 -4.95 4.51 0.43 -1.09 -0.21 -1.26 0.82 119.66 117.91 2jgk s GLN 509 Ca 0.11 1.34 0.03 0.00 0.02 0.00 0.00 55.36 56.86 2jgk s GLN 509 Cb -0.05 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 2jgk s GLN 509 CO 0.13 -0.10 0.05 1.52 -2.12 0.00 0.00 175.29 174.78 2jgk s TYR 510 N 1.22 1.97 0.22 0.91 1.13 -0.60 -3.92 117.35 118.29 2jgk s TYR 510 Ca 0.49 -1.01 0.11 0.00 -1.41 0.00 0.00 57.07 55.25 2jgk s TYR 510 Cb -0.20 -1.44 -0.05 0.00 -1.10 0.00 0.00 41.96 39.18 2jgk s TYR 510 CO 0.24 0.06 -0.17 0.14 -2.51 0.00 0.00 175.55 173.31 2jgk s VAL 511 N -3.03 2.67 -0.27 -3.49 -7.23 -0.77 -1.57 120.40 106.71 2jgk s VAL 511 Ca 0.22 -2.06 -0.16 0.00 -1.81 0.00 0.00 61.98 58.17 2jgk s VAL 511 Cb 0.05 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2jgk s VAL 511 CO 0.11 -0.23 0.45 -0.94 -0.31 0.00 0.00 175.10 174.18 2jgk s SER 512 N -3.06 6.34 -0.47 4.85 1.04 -0.68 -1.04 113.70 120.68 2jgk s SER 512 Ca 0.25 0.37 -0.20 0.00 0.48 0.00 0.00 55.95 56.85 2jgk s SER 512 Cb -0.07 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.84 2jgk s SER 512 CO 0.13 -0.25 0.65 -0.76 0.98 0.00 0.00 173.24 174.00 2jgk s LEU 513 N 2.20 4.64 0.00 2.42 1.43 0.15 -4.11 118.68 125.41 2jgk s LEU 513 Ca 0.18 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2jgk s LEU 513 Cb -0.16 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.44 2jgk s LEU 513 CO 0.10 -0.85 0.00 -0.46 0.23 0.00 0.00 176.35 175.37 2jgk n ASN 514 N 6.31 0.00 0.03 2.29 0.23 -1.26 -0.21 115.26 122.65 2jgk n ASN 514 Ca -0.03 -0.42 -0.12 0.00 -0.53 0.00 0.00 54.58 53.48 2jgk n ASN 514 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 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 0.59 -9.85 -4.53 3.38 -1.94 -3.42 115.31 99.55 2jgk h LEU 515 Ca 0.00 -0.39 -0.52 0.00 0.09 0.00 0.00 57.88 57.06 2jgk h LEU 515 Cb 0.00 -0.18 0.06 0.00 0.09 0.00 0.00 40.66 40.63 2jgk h LEU 515 CO 0.00 1.15 0.64 -0.54 0.09 0.00 0.00 178.44 179.78 2jgk s LYS 516 N -3.64 4.37 0.79 1.13 1.02 -1.26 -4.99 119.74 117.15 2jgk s LYS 516 Ca -0.07 2.19 -0.16 0.00 0.02 0.00 0.00 55.97 57.95 2jgk s LYS 516 Cb 0.10 -3.09 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 2jgk s LYS 516 CO 0.86 -0.19 0.15 -0.35 -0.92 0.00 0.00 175.35 174.89 2jgk n PRO 517 N 1.10 0.08 -1.52 -1.68 -0.04 -1.26 -4.78 135.00 126.90 2jgk n PRO 517 Ca 0.01 0.06 -0.49 0.00 -0.04 0.00 0.00 63.50 63.04 2jgk n PRO 517 Cb 0.42 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 2jgk n PRO 517 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jgk n LEU 518 N 0.65 0.63 -4.23 1.53 4.77 -1.26 -4.99 117.00 114.10 2jgk n LEU 518 Ca 0.07 1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 56.88 2jgk n LEU 518 Cb 0.51 -1.12 -0.17 0.00 -2.33 0.00 0.00 43.42 40.31 2jgk n LEU 518 CO 0.51 -1.87 -0.56 -0.70 -1.33 0.00 0.00 177.39 173.45 2jgk s GLU 519 N -0.80 3.04 -0.20 3.23 2.12 -1.26 -4.74 118.70 120.10 2jgk s GLU 519 Ca 0.69 -0.87 -0.22 0.00 0.36 0.00 0.00 54.97 54.93 2jgk s GLU 519 Cb -0.88 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 2jgk s GLU 519 CO 0.56 0.19 0.67 0.08 -0.54 0.00 0.00 175.26 176.21 2jgk s VAL 520 N 0.32 4.99 0.31 3.70 1.01 -1.26 -1.68 120.40 127.78 2jgk s VAL 520 Ca -0.18 1.27 0.10 0.00 0.00 0.00 0.00 61.98 63.16 2jgk s VAL 520 Cb -0.18 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2jgk s VAL 520 CO 0.09 0.09 -0.02 -0.13 0.00 0.00 0.00 175.10 175.13 2jgk s ARG 521 N 1.99 2.10 -0.07 2.72 0.52 -0.61 -5.00 118.95 120.61 2jgk s ARG 521 Ca 0.30 -1.64 0.05 0.00 -0.52 0.00 0.00 55.73 53.93 2jgk s ARG 521 Cb -0.16 -1.99 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 2jgk s ARG 521 CO 0.11 0.23 -0.24 1.03 0.02 0.00 0.00 175.30 176.45 2jgk s ARG 522 N -3.68 2.60 0.00 3.54 0.52 -1.26 -1.55 118.95 119.13 2jgk s ARG 522 Ca 0.33 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2jgk s ARG 522 Cb -0.03 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2jgk s ARG 522 CO 0.19 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.22 2jgk n GLY 523 N 3.16 -3.20 3.46 -3.53 0.00 0.24 -4.90 105.19 100.42 2jgk n GLY 523 Ca -0.18 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.06 4.87 -1.23 0.99 2.96 -1.26 -4.22 118.68 120.73 2jgk s LEU 524 Ca 0.00 -1.92 -0.01 0.00 -0.22 0.00 0.00 54.13 51.97 2jgk s LEU 524 Cb 0.00 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 2jgk s LEU 524 CO 0.00 -1.13 0.85 0.54 -1.32 0.00 0.00 176.35 175.29 2jgk n ARG 525 N 6.84 -5.23 0.10 1.98 5.12 -1.26 -4.83 116.66 119.38 2jgk n ARG 525 Ca 0.23 0.74 -0.13 0.00 -1.93 0.00 0.00 57.85 56.76 2jgk n ARG 525 Cb 0.49 -5.49 -0.07 0.00 -1.16 0.00 0.00 32.46 26.23 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 0.79 -0.20 -0.03 7.54 0.00 -1.93 -0.49 119.26 124.94 2jgk h ALA 526 Ca -0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2jgk h ALA 526 Cb 1.35 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2jgk h ALA 526 CO 0.52 -0.62 -0.02 1.96 0.00 0.00 0.00 179.25 181.08 2jgk h GLN 527 N -0.22 0.06 -0.71 0.00 1.08 -1.96 -2.22 115.11 111.15 2jgk h GLN 527 Ca -0.01 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2jgk h GLN 527 Cb 0.20 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2jgk h GLN 527 CO -0.00 0.51 0.33 1.15 -0.95 0.00 0.00 178.83 179.86 2jgk h THR 528 N -0.38 1.23 0.00 -0.54 2.02 -1.94 -2.38 112.91 110.93 2jgk h THR 528 Ca 0.01 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2jgk h THR 528 Cb 0.49 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2jgk h THR 528 CO 0.01 0.28 -0.34 0.00 0.37 0.00 0.00 175.52 175.83 2jgk h ALA 530 N 1.66 0.96 -0.33 0.00 0.00 -0.91 0.45 119.26 121.09 2jgk h ALA 530 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2jgk h ALA 530 Cb 0.87 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2jgk h ALA 530 CO 0.04 0.43 0.16 0.35 0.00 0.00 0.00 179.25 180.24 2jgk h PHE 531 N 1.03 0.29 -0.22 0.00 3.57 -0.86 0.58 116.94 121.33 2jgk h PHE 531 Ca 0.27 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.58 2jgk h PHE 531 Cb -0.02 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 38.64 2jgk h PHE 531 CO -0.01 0.16 -0.65 -1.49 -2.23 0.00 0.00 178.31 174.09 2jgk h TRP 532 N 0.33 1.08 0.00 0.41 4.06 -0.97 -2.31 115.95 118.55 2jgk h TRP 532 Ca 0.14 -0.43 -0.10 0.00 2.06 0.00 0.00 58.89 60.55 2jgk h TRP 532 Cb 0.06 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.01 2jgk h TRP 532 CO -0.10 1.26 -1.32 0.09 -3.56 0.00 0.00 178.44 174.81 2jgk n ASN 533 N -3.99 0.79 -0.04 -3.49 3.02 0.15 -4.38 115.26 107.33 2jgk n ASN 533 Ca -0.06 0.33 -0.05 0.00 -0.03 0.00 0.00 54.58 54.77 2jgk n ASN 533 Cb 0.68 0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 40.19 2jgk n ASN 533 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jgk n ARG 534 N -2.78 0.19 -0.05 3.52 1.74 0.18 -4.78 116.66 114.68 2jgk n ARG 534 Ca -0.07 0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 2jgk n ARG 534 Cb 0.73 -1.15 -0.00 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.01 0.00 -0.53 -1.55 3.57 -1.26 -3.35 116.94 113.81 2jgk h PHE 535 Ca -0.17 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.43 2jgk h PHE 535 Cb 1.27 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.90 2jgk h PHE 535 CO 0.01 0.00 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.79 2jgk h LEU 536 N -0.97 -0.81 -0.95 0.59 3.38 -1.64 -1.37 115.31 113.56 2jgk h LEU 536 Ca 0.00 0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.28 2jgk h LEU 536 Cb 0.06 0.44 -0.13 0.00 0.09 0.00 0.00 40.66 41.12 2jgk h LEU 536 CO 0.00 -0.25 -0.46 -2.65 0.09 0.00 0.00 178.44 175.17 2jgk n PRO 537 N -5.42 -0.31 -0.19 1.13 -0.02 -1.26 -0.85 135.00 128.08 2jgk n PRO 537 Ca 0.04 1.45 -0.01 0.00 -2.02 0.00 0.00 63.50 62.96 2jgk n PRO 537 Cb 0.33 -2.14 0.10 0.00 -0.02 0.00 0.00 33.50 31.77 2jgk n PRO 537 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2jgk h LYS 538 N 0.00 0.35 0.00 -0.52 1.79 -1.40 -0.19 116.57 116.60 2jgk h LYS 538 Ca 0.25 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2jgk h LYS 538 Cb 0.48 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2jgk h LYS 538 CO -0.92 0.23 0.00 -0.11 -1.08 0.00 0.00 179.45 177.57 2jgk n LEU 539 N -5.03 0.43 0.00 2.94 7.94 -0.03 -5.15 117.00 118.10 2jgk n LEU 539 Ca 0.08 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 55.68 2jgk n LEU 539 Cb 0.27 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 43.46 2jgk n LEU 539 CO 0.21 -0.84 0.10 0.18 -1.11 0.00 0.00 177.39 175.93