#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jgg n GLY 2 N 0.00 1.15 0.53 8.31 0.00 -1.26 -3.61 105.19 110.30 2jgg n GLY 2 Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 46.02 46.48 2jgg n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jgg n ARG 3 N 0.00 0.95 -1.02 1.61 3.00 -1.26 -5.01 116.66 114.93 2jgg n ARG 3 Ca 0.00 -1.33 -0.31 0.00 -0.01 0.00 0.00 57.85 56.19 2jgg n ARG 3 Cb 0.00 -1.25 0.13 0.00 0.00 0.00 0.00 32.46 31.34 2jgg n ARG 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2jgg s GLU 4 N -1.05 1.66 0.06 5.56 8.01 -1.24 -4.97 118.70 126.74 2jgg s GLU 4 Ca 0.16 1.43 -0.30 0.00 0.01 0.00 0.00 54.97 56.26 2jgg s GLU 4 Cb 0.11 -1.81 -0.09 0.00 -4.31 0.00 0.00 34.13 28.03 2jgg s GLU 4 CO 0.16 -2.13 1.84 0.34 0.01 0.00 0.00 175.26 175.48 2jgg s ASP 5 N -2.87 6.49 0.50 -0.19 -1.08 -1.26 -4.91 116.67 113.35 2jgg s ASP 5 Ca 0.65 2.63 0.34 0.00 -0.52 0.00 0.00 52.55 55.65 2jgg s ASP 5 Cb -0.21 -2.55 1.64 0.00 -1.46 0.00 0.00 42.92 40.34 2jgg s ASP 5 CO 0.55 -1.00 2.01 1.55 0.52 0.00 0.00 175.17 178.81 2jgg h PRO 6 N 9.45 0.00 -0.23 4.34 0.13 -1.97 -3.00 132.00 140.72 2jgg h PRO 6 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jgg h PRO 6 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jgg h PRO 6 CO 0.94 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.75 2jgg n GLN 7 N -2.79 1.64 0.00 0.86 1.13 -1.26 -3.93 117.38 113.03 2jgg n GLN 7 Ca -0.01 -0.98 0.01 0.00 -1.94 0.00 0.00 57.00 54.08 2jgg n GLN 7 Cb 0.16 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.23 2jgg n GLN 7 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jgg n LEU 8 N 0.25 0.82 -4.54 1.08 4.77 -1.13 -4.86 117.00 113.38 2jgg n LEU 8 Ca 0.12 -0.84 -0.37 0.00 -0.03 0.00 0.00 56.01 54.88 2jgg n LEU 8 Cb 0.26 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2jgg n LEU 8 CO 0.09 0.19 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.37 2jgg s LEU 9 N -0.76 3.82 0.02 2.23 1.43 -1.25 -0.66 118.68 123.51 2jgg s LEU 9 Ca 0.02 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2jgg s LEU 9 Cb 0.01 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2jgg s LEU 9 CO 0.04 -0.04 -0.09 -0.69 0.23 0.00 0.00 176.35 175.80 2jgg s VAL 10 N 1.66 0.66 -0.16 -1.59 1.01 -0.62 -5.00 120.40 116.36 2jgg s VAL 10 Ca 0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2jgg s VAL 10 Cb -0.16 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2jgg s VAL 10 CO 0.08 -0.04 0.04 -0.60 0.00 0.00 0.00 175.10 174.58 2jgg s ARG 11 N -0.79 3.72 0.39 2.72 3.52 -1.26 0.70 118.95 127.95 2jgg s ARG 11 Ca -0.01 -0.37 0.08 0.00 -0.13 0.00 0.00 55.73 55.30 2jgg s ARG 11 Cb -0.06 -3.09 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 2jgg s ARG 11 CO 0.00 0.38 0.07 0.14 -0.81 0.00 0.00 175.30 175.08 2jgg s VAL 12 N 0.05 2.27 0.53 7.11 -7.23 0.56 -4.84 120.40 118.85 2jgg s VAL 12 Ca 0.04 -1.88 0.42 0.00 -1.81 0.00 0.00 61.98 58.75 2jgg s VAL 12 Cb -0.12 -2.94 0.64 0.00 0.56 0.00 0.00 36.38 34.52 2jgg s VAL 12 CO 0.01 -0.06 1.65 -0.09 -0.31 0.00 0.00 175.10 176.30 2jgg h ARG 13 N 1.66 0.02 -0.01 4.82 9.65 -1.94 0.40 114.38 128.99 2jgg h ARG 13 Ca -0.43 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 2jgg h ARG 13 Cb 1.25 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 2jgg h ARG 13 CO 0.73 0.02 -0.36 0.41 2.80 0.00 0.00 179.97 183.57 2jgg n GLY 14 N -1.80 -0.64 0.00 2.80 0.00 -1.26 -4.90 105.19 99.40 2jgg n GLY 14 Ca 0.38 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2jgg n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgg n GLY 15 N 1.38 0.86 3.85 -0.02 0.00 0.14 -0.77 105.19 110.63 2jgg n GLY 15 Ca 0.10 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 2jgg n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jgg s GLN 16 N -2.00 3.96 -0.03 1.61 -0.21 -1.26 -0.32 119.66 121.41 2jgg s GLN 16 Ca 0.00 0.46 0.03 0.00 0.02 0.00 0.00 55.36 55.87 2jgg s GLN 16 Cb 0.00 -2.95 -0.00 0.00 1.00 0.00 0.00 33.01 31.06 2jgg s GLN 16 CO 0.00 0.49 -0.13 -0.51 -2.12 0.00 0.00 175.29 173.03 2jgg s LEU 17 N -1.93 1.87 -0.26 2.90 1.43 0.22 -0.76 118.68 122.15 2jgg s LEU 17 Ca 0.37 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2jgg s LEU 17 Cb -0.15 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 2jgg s LEU 17 CO 0.19 0.11 0.06 -0.60 0.23 0.00 0.00 176.35 176.34 2jgg s ARG 18 N 0.06 3.48 0.00 1.70 3.52 0.32 -1.59 118.95 126.43 2jgg s ARG 18 Ca -0.02 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2jgg s ARG 18 Cb -0.09 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 2jgg s ARG 18 CO 0.01 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 2jgg n GLY 19 N 4.89 0.94 2.98 8.12 0.00 0.17 0.25 105.19 122.54 2jgg n GLY 19 Ca -0.16 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 2jgg n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jgg s ILE 20 N 0.62 0.56 -0.44 -0.61 2.07 0.53 -4.77 121.20 119.16 2jgg s ILE 20 Ca 0.00 -0.29 -0.25 0.00 -1.41 0.00 0.00 60.65 58.70 2jgg s ILE 20 Cb 0.00 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.14 2jgg s ILE 20 CO 0.00 0.16 0.87 -0.60 -1.91 0.00 0.00 174.94 173.46 2jgg s ARG 21 N -0.10 3.54 0.13 3.50 3.52 -1.26 -1.08 118.95 127.19 2jgg s ARG 21 Ca 0.02 0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.78 2jgg s ARG 21 Cb -0.03 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 2jgg s ARG 21 CO -0.00 -1.14 0.17 -0.51 -0.81 0.00 0.00 175.30 173.01 2jgg s LEU 22 N 3.54 4.03 -0.31 -0.88 1.43 -0.35 -4.95 118.68 121.20 2jgg s LEU 22 Ca 0.35 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.38 2jgg s LEU 22 Cb -0.11 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 2jgg s LEU 22 CO 0.24 0.10 0.17 -0.75 0.23 0.00 0.00 176.35 176.34 2jgg s LYS 23 N -2.89 3.51 0.38 1.70 2.36 -1.26 -0.76 119.74 122.79 2jgg s LYS 23 Ca 0.32 -0.61 0.08 0.00 -2.55 0.00 0.00 55.97 53.21 2jgg s LYS 23 Cb -0.11 -3.62 -0.03 0.00 -1.05 0.00 0.00 37.83 33.02 2jgg s LYS 23 CO 0.25 -0.36 0.27 0.00 1.55 0.00 0.00 175.35 177.06 2jgg s ALA 24 N 1.67 3.81 0.14 3.13 0.00 0.05 -4.97 121.76 125.59 2jgg s ALA 24 Ca 0.06 -1.85 -0.26 0.00 0.00 0.00 0.00 51.96 49.90 2jgg s ALA 24 Cb -0.17 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 2jgg s ALA 24 CO 0.08 -0.10 1.60 -1.35 0.00 0.00 0.00 175.76 175.99 2jgg h PRO 25 N 1.26 -0.38 -0.10 0.00 0.11 -1.95 -2.20 132.00 128.74 2jgg h PRO 25 Ca -0.43 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2jgg h PRO 25 Cb 1.26 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2jgg h PRO 25 CO 0.61 -0.25 0.00 0.41 -0.21 0.00 0.00 178.00 178.56 2jgg n GLY 26 N -1.41 -0.51 0.00 -0.55 0.00 -1.26 -5.01 105.19 96.45 2jgg n GLY 26 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2jgg n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgg n GLY 27 N 0.71 0.89 3.89 -0.02 0.00 -0.83 -5.08 105.19 104.76 2jgg n GLY 27 Ca 0.05 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 2jgg n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jgg s PRO 28 N -1.67 3.68 0.20 1.61 0.04 -1.26 -0.77 135.00 136.84 2jgg s PRO 28 Ca 0.00 0.17 0.05 0.00 0.04 0.00 0.00 61.00 61.26 2jgg s PRO 28 Cb 0.00 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 2jgg s PRO 28 CO 0.00 0.11 -0.08 0.14 0.04 0.00 0.00 177.00 177.21 2jgg s VAL 29 N -2.21 1.35 -0.19 -0.36 -7.23 0.06 -3.73 120.40 108.11 2jgg s VAL 29 Ca 0.47 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 2jgg s VAL 29 Cb -0.11 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2jgg s VAL 29 CO 0.31 -0.54 0.09 -0.44 -0.31 0.00 0.00 175.10 174.21 2jgg s SER 30 N -3.28 5.88 -0.06 4.85 0.01 0.64 -1.21 113.70 120.53 2jgg s SER 30 Ca 0.23 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.67 2jgg s SER 30 Cb 0.03 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2jgg s SER 30 CO 0.06 0.18 -0.16 0.00 0.41 0.00 0.00 173.24 173.73 2jgg s ALA 31 N 0.33 1.50 -0.34 1.44 0.00 -0.25 -1.44 121.76 123.00 2jgg s ALA 31 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2jgg s ALA 31 Cb -0.12 -0.57 0.10 0.00 0.00 0.00 0.00 23.12 22.54 2jgg s ALA 31 CO -0.01 0.22 0.09 -0.06 0.00 0.00 0.00 175.76 175.99 2jgg s PHE 32 N 0.32 2.93 -0.02 0.00 0.40 0.36 -0.35 117.98 121.63 2jgg s PHE 32 Ca -0.10 -2.55 0.02 0.00 -0.60 0.00 0.00 56.93 53.71 2jgg s PHE 32 Cb -0.14 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.91 2jgg s PHE 32 CO 0.04 -0.91 -0.05 -0.51 0.70 0.00 0.00 175.22 174.49 2jgg s LEU 33 N 1.07 3.24 -1.06 -0.37 1.43 0.02 -0.33 118.68 122.67 2jgg s LEU 33 Ca 0.11 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2jgg s LEU 33 Cb -0.19 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2jgg s LEU 33 CO -0.13 0.30 0.89 0.61 0.23 0.00 0.00 176.35 178.26 2jgg n GLY 34 N 1.71 -0.26 3.63 -3.19 0.00 -0.86 -4.04 105.19 102.17 2jgg n GLY 34 Ca -0.16 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2jgg n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jgg s ILE 35 N -3.30 4.76 0.13 -0.61 1.01 0.65 -4.78 121.20 119.06 2jgg s ILE 35 Ca 0.12 1.40 -0.31 0.00 0.00 0.00 0.00 60.65 61.85 2jgg s ILE 35 Cb -0.05 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 2jgg s ILE 35 CO 0.62 -0.23 1.51 -2.16 0.00 0.00 0.00 174.94 174.68 2jgg s PRO 36 N 3.03 4.25 -0.00 2.79 0.04 -1.26 -0.13 135.00 143.71 2jgg s PRO 36 Ca 0.35 2.25 0.05 0.00 0.04 0.00 0.00 61.00 63.69 2jgg s PRO 36 Cb -0.14 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 2jgg s PRO 36 CO 0.11 -0.56 0.23 1.97 0.04 0.00 0.00 177.00 178.79 2jgg n PHE 37 N 4.17 0.00 -4.05 0.56 1.16 -1.01 -4.83 117.46 113.47 2jgg n PHE 37 Ca 0.13 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.64 2jgg n PHE 37 Cb 0.40 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.16 2jgg n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jgg s ALA 38 N -1.59 0.36 0.31 1.98 0.00 -1.23 -2.39 121.76 119.19 2jgg s ALA 38 Ca 0.02 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.67 2jgg s ALA 38 Cb 0.04 0.25 -0.11 0.00 0.00 0.00 0.00 23.12 23.31 2jgg s ALA 38 CO 0.23 -0.33 1.48 -1.21 0.00 0.00 0.00 175.76 175.93 2jgg s GLU 39 N -3.33 4.19 -0.28 0.00 0.41 0.08 -4.51 118.70 115.26 2jgg s GLU 39 Ca 0.01 2.45 -0.42 0.00 -0.41 0.00 0.00 54.97 56.60 2jgg s GLU 39 Cb 0.04 -3.04 -0.17 0.00 -1.78 0.00 0.00 34.13 29.17 2jgg s GLU 39 CO -0.08 -0.48 1.61 -2.30 -0.49 0.00 0.00 175.26 173.52 2jgg n PRO 40 N 1.56 0.74 -1.14 0.39 -0.02 -1.26 -4.67 135.00 130.59 2jgg n PRO 40 Ca 0.05 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 2jgg n PRO 40 Cb 0.39 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2jgg n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jgg n PRO 41 N 4.39 3.15 -3.53 0.52 -0.04 -1.26 -4.90 135.00 133.34 2jgg n PRO 41 Ca 0.26 -1.98 -0.21 0.00 -0.04 0.00 0.00 63.50 61.54 2jgg n PRO 41 Cb 0.08 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 30.80 2jgg n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jgg s VAL 42 N 2.62 2.70 0.00 0.52 -7.23 -1.26 -3.50 120.40 114.25 2jgg s VAL 42 Ca 0.60 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2jgg s VAL 42 Cb 0.15 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2jgg s VAL 42 CO -0.05 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 2jgg n GLY 43 N -1.57 2.85 0.30 2.32 0.00 -1.26 0.26 105.19 108.09 2jgg n GLY 43 Ca 0.04 0.31 0.17 0.00 0.00 0.00 0.00 46.02 46.54 2jgg n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jgg h SER 44 N 0.00 0.00 0.59 1.61 4.64 -1.94 -2.84 113.55 115.61 2jgg h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jgg h SER 44 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jgg h SER 44 CO 0.00 0.04 -0.39 0.54 -0.87 0.00 0.00 176.83 176.16 2jgg n ARG 45 N -3.37 0.03 -1.61 4.77 1.74 0.14 -4.86 116.66 113.50 2jgg n ARG 45 Ca -0.02 -0.02 -0.48 0.00 -0.77 0.00 0.00 57.85 56.57 2jgg n ARG 45 Cb 0.18 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.08 2jgg n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2jgg n ARG 46 N -1.47 1.46 0.00 5.56 0.63 -1.08 -0.41 116.66 121.36 2jgg n ARG 46 Ca 0.06 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 2jgg n ARG 46 Cb 0.34 -2.08 0.00 0.00 0.45 0.00 0.00 32.46 31.16 2jgg n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jgg n PHE 47 N 1.74 0.00 -2.80 -0.14 3.72 -1.26 -4.98 117.46 113.74 2jgg n PHE 47 Ca 0.14 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.25 2jgg n PHE 47 Cb 0.27 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 2jgg n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jgg s MET 48 N 0.00 3.69 0.87 -1.08 -1.94 0.46 -4.39 119.30 116.90 2jgg s MET 48 Ca 0.00 0.35 -0.12 0.00 -1.71 0.00 0.00 55.69 54.21 2jgg s MET 48 Cb 0.00 -2.40 0.10 0.00 2.01 0.00 0.00 34.83 34.54 2jgg s MET 48 CO 0.00 -0.08 1.02 -2.30 -0.01 0.00 0.00 175.02 173.65 2jgg n PRO 49 N -1.62 -0.14 -2.68 2.03 -0.02 -1.26 -4.93 135.00 126.38 2jgg n PRO 49 Ca 0.02 0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 2jgg n PRO 49 Cb 0.54 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 2jgg n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jgg s PRO 50 N -4.17 3.96 -0.08 0.52 0.04 -1.26 -5.06 135.00 128.96 2jgg s PRO 50 Ca 0.68 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2jgg s PRO 50 Cb -0.26 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 2jgg s PRO 50 CO 0.57 -0.12 -0.06 -1.21 0.04 0.00 0.00 177.00 176.22 2jgg s GLU 51 N -3.72 2.83 0.34 4.56 2.02 -1.26 -5.02 118.70 118.44 2jgg s GLU 51 Ca 0.57 -0.54 -0.25 0.00 0.02 0.00 0.00 54.97 54.77 2jgg s GLU 51 Cb -0.10 -2.63 -0.14 0.00 0.10 0.00 0.00 34.13 31.37 2jgg s GLU 51 CO 0.26 0.63 0.71 -2.30 0.02 0.00 0.00 175.26 174.59 2jgg n PRO 52 N 2.32 0.76 -1.83 0.39 -0.02 -1.26 -0.74 135.00 134.62 2jgg n PRO 52 Ca -0.18 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 2jgg n PRO 52 Cb 0.53 -1.55 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 2jgg n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jgg s LYS 53 N -1.48 4.17 0.25 -0.52 2.47 -1.01 -4.05 119.74 119.57 2jgg s LYS 53 Ca 0.62 2.49 -0.30 0.00 -1.56 0.00 0.00 55.97 57.22 2jgg s LYS 53 Cb -0.69 -3.14 -0.09 0.00 -1.46 0.00 0.00 37.83 32.44 2jgg s LYS 53 CO 0.58 -0.69 1.26 1.03 0.16 0.00 0.00 175.35 177.69 2jgg s ARG 54 N 1.25 4.44 0.57 4.03 3.00 -1.26 -4.91 118.95 126.05 2jgg s ARG 54 Ca 0.73 2.03 -0.20 0.00 0.00 0.00 0.00 55.73 58.29 2jgg s ARG 54 Cb -0.47 -3.16 -0.05 0.00 0.00 0.00 0.00 34.95 31.27 2jgg s ARG 54 CO 0.32 -0.13 1.13 -2.30 0.00 0.00 0.00 175.30 174.32 2jgg n PRO 55 N 1.86 1.23 -4.31 3.54 -0.02 -1.26 -5.02 135.00 131.01 2jgg n PRO 55 Ca 0.03 0.46 -0.24 0.00 -2.02 0.00 0.00 63.50 61.73 2jgg n PRO 55 Cb 0.43 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 2jgg n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jgg s TRP 56 N -1.40 2.59 0.12 6.00 -2.14 0.05 -5.03 118.94 119.13 2jgg s TRP 56 Ca 0.74 -0.34 0.06 0.00 2.66 0.00 0.00 56.10 59.22 2jgg s TRP 56 Cb -0.43 -1.35 -0.04 0.00 -3.10 0.00 0.00 33.47 28.55 2jgg s TRP 56 CO 0.48 0.54 -0.03 -1.54 -2.66 0.00 0.00 176.95 173.74 2jgg s SER 57 N -3.69 4.73 0.00 -2.66 1.04 -1.26 -4.63 113.70 107.23 2jgg s SER 57 Ca 0.33 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2jgg s SER 57 Cb -0.03 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 65.07 2jgg s SER 57 CO 0.19 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.17 2jgg n GLY 58 N 0.39 -1.91 3.38 7.32 0.00 -1.26 -4.78 105.19 108.32 2jgg n GLY 58 Ca -0.11 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 2jgg n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgg s VAL 59 N 0.00 4.62 0.20 1.61 1.01 -1.26 -3.98 120.40 122.60 2jgg s VAL 59 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2jgg s VAL 59 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 2jgg s VAL 59 CO 0.00 -0.26 1.35 -0.22 0.00 0.00 0.00 175.10 175.97 2jgg s LEU 60 N 1.56 4.40 -0.39 3.92 0.20 0.06 -4.81 118.68 123.62 2jgg s LEU 60 Ca 0.02 2.46 -0.26 0.00 0.69 0.00 0.00 54.13 57.05 2jgg s LEU 60 Cb -0.19 -3.61 0.02 0.00 -0.43 0.00 0.00 46.19 41.97 2jgg s LEU 60 CO 0.07 -0.59 0.94 -0.62 -0.29 0.00 0.00 176.35 175.86 2jgg s ASP 61 N 0.43 6.64 -0.63 3.68 -1.08 -1.26 -0.53 116.67 123.92 2jgg s ASP 61 Ca 0.58 0.48 0.01 0.00 -0.52 0.00 0.00 52.55 53.10 2jgg s ASP 61 Cb -0.38 -2.47 0.40 0.00 -1.46 0.00 0.00 42.92 39.01 2jgg s ASP 61 CO 0.39 -0.92 1.65 0.00 0.52 0.00 0.00 175.17 176.81 2jgg n ALA 62 N 6.92 5.88 0.89 3.66 0.00 0.14 -4.71 120.51 133.28 2jgg n ALA 62 Ca 0.07 -4.05 0.09 0.00 0.00 0.00 0.00 53.44 49.55 2jgg n ALA 62 Cb 0.48 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 2jgg n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jgg n THR 63 N -0.60 0.00 -3.95 0.00 -2.24 -1.25 -0.80 114.28 105.45 2jgg n THR 63 Ca 0.50 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 62.13 2jgg n THR 63 Cb 0.52 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 2jgg n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jgg s THR 64 N -2.78 0.16 0.23 4.28 -4.23 -1.26 -4.86 115.64 107.17 2jgg s THR 64 Ca 0.07 -1.31 -0.30 0.00 -1.18 0.00 0.00 61.69 58.97 2jgg s THR 64 Cb 0.14 -1.21 -0.09 0.00 1.34 0.00 0.00 72.50 72.68 2jgg s THR 64 CO 0.77 -0.72 1.33 -0.36 -0.54 0.00 0.00 174.62 175.10 2jgg s PHE 65 N -3.37 3.19 0.84 3.99 0.08 -1.26 -3.69 117.98 117.76 2jgg s PHE 65 Ca 0.01 1.21 -0.09 0.00 0.12 0.00 0.00 56.93 58.18 2jgg s PHE 65 Cb 0.03 -3.66 0.16 0.00 -0.57 0.00 0.00 43.02 38.98 2jgg s PHE 65 CO -0.08 -2.03 1.17 -0.65 -0.10 0.00 0.00 175.22 173.53 2jgg s GLN 66 N -0.40 1.21 0.50 0.44 -1.52 -1.26 -4.92 119.66 113.71 2jgg s GLN 66 Ca 0.56 -0.64 -0.21 0.00 -1.95 0.00 0.00 55.36 53.13 2jgg s GLN 66 Cb -0.38 -2.06 -0.09 0.00 -0.22 0.00 0.00 33.01 30.26 2jgg s GLN 66 CO 0.41 -1.92 0.77 0.09 -0.25 0.00 0.00 175.29 174.38 2jgg n ASN 67 N -3.33 0.06 -4.75 5.90 3.02 -1.26 -4.84 115.26 110.05 2jgg n ASN 67 Ca 0.14 0.88 -0.40 0.00 -0.03 0.00 0.00 54.58 55.17 2jgg n ASN 67 Cb 0.60 -1.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.46 2jgg n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jgg s VAL 68 N -1.49 4.41 0.32 2.41 1.01 -0.54 -4.68 120.40 121.84 2jgg s VAL 68 Ca 0.67 1.84 -0.29 0.00 0.00 0.00 0.00 61.98 64.20 2jgg s VAL 68 Cb -0.51 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.55 2jgg s VAL 68 CO 0.54 0.44 1.56 0.00 0.00 0.00 0.00 175.10 177.65 2jgg n TYR 70 N 1.63 2.34 -3.55 0.00 9.36 -1.11 -4.79 117.16 121.05 2jgg n TYR 70 Ca 0.06 0.07 -0.12 0.00 3.32 0.00 0.00 57.90 61.23 2jgg n TYR 70 Cb 0.38 -2.63 -0.04 0.00 -0.63 0.00 0.00 39.34 36.42 2jgg n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 2jgg s GLN 71 N 2.80 1.13 0.09 2.98 -2.07 -1.26 -4.70 119.66 118.63 2jgg s GLN 71 Ca 0.86 -0.54 -0.32 0.00 -1.82 0.00 0.00 55.36 53.55 2jgg s GLN 71 Cb -0.66 0.51 -0.11 0.00 -1.09 0.00 0.00 33.01 31.66 2jgg s GLN 71 CO 0.45 -0.45 1.84 0.98 -1.32 0.00 0.00 175.29 176.79 2jgg n TYR 72 N -0.15 2.54 -3.23 9.60 4.19 -1.25 -4.99 117.16 123.87 2jgg n TYR 72 Ca -0.17 -0.13 -0.39 0.00 3.31 0.00 0.00 57.90 60.52 2jgg n TYR 72 Cb 0.63 -2.72 -0.06 0.00 0.49 0.00 0.00 39.34 37.68 2jgg n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jgg s VAL 73 N 3.01 5.11 0.19 2.97 1.01 -1.26 -4.85 120.40 126.57 2jgg s VAL 73 Ca 0.84 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 2jgg s VAL 73 Cb -0.52 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 31.92 2jgg s VAL 73 CO 0.40 0.21 1.31 -0.62 0.00 0.00 0.00 175.10 176.39 2jgg s ASP 74 N 1.01 6.91 0.00 3.32 2.15 -1.26 -4.95 116.67 123.84 2jgg s ASP 74 Ca 0.26 2.38 0.00 0.00 0.43 0.00 0.00 52.55 55.62 2jgg s ASP 74 Cb -0.16 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2jgg s ASP 74 CO 0.10 -0.53 0.85 0.35 -0.17 0.00 0.00 175.17 175.78 2jgg n THR 75 N 2.75 0.72 0.03 1.71 -2.24 -1.26 -4.86 114.28 111.13 2jgg n THR 75 Ca 0.06 -0.83 -0.15 0.00 -2.27 0.00 0.00 64.05 60.87 2jgg n THR 75 Cb 0.43 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.22 2jgg n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jgg h LEU 76 N 0.00 -1.59 -7.09 3.22 5.85 -2.00 -3.33 115.31 110.36 2jgg h LEU 76 Ca 0.00 0.18 -0.62 0.00 0.84 0.00 0.00 57.88 58.28 2jgg h LEU 76 Cb 0.42 0.61 -0.41 0.00 0.37 0.00 0.00 40.66 41.65 2jgg h LEU 76 CO 0.00 -0.48 -0.65 -0.31 -0.34 0.00 0.00 178.44 176.66 2jgg s TYR 77 N -5.57 3.00 0.12 1.25 2.02 -1.26 -5.08 117.35 111.84 2jgg s TYR 77 Ca -0.15 -3.07 -0.32 0.00 -0.37 0.00 0.00 57.07 53.16 2jgg s TYR 77 Cb 0.06 -2.46 -0.12 0.00 -0.40 0.00 0.00 41.96 39.04 2jgg s TYR 77 CO 0.57 -0.66 1.76 -2.30 -1.57 0.00 0.00 175.55 173.35 2jgg n PRO 78 N 2.61 2.55 0.00 -1.71 -0.02 -1.25 -1.39 135.00 135.78 2jgg n PRO 78 Ca 0.15 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2jgg n PRO 78 Cb 0.35 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 2jgg n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgg n GLY 79 N 3.99 2.75 3.68 -1.23 0.00 -1.26 -5.02 105.19 108.10 2jgg n GLY 79 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2jgg n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jgg s PHE 80 N -2.33 3.26 0.20 1.61 5.36 -0.49 -4.95 117.98 120.64 2jgg s PHE 80 Ca 0.00 1.32 -0.11 0.00 -0.96 0.00 0.00 56.93 57.18 2jgg s PHE 80 Cb 0.00 -3.35 0.21 0.00 -0.34 0.00 0.00 43.02 39.54 2jgg s PHE 80 CO 0.00 -0.98 1.78 1.49 -1.46 0.00 0.00 175.22 176.04 2jgg h GLU 81 N 7.43 0.50 -0.73 10.12 4.57 -1.96 0.21 114.58 134.73 2jgg h GLU 81 Ca -0.31 -0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.00 2jgg h GLU 81 Cb 1.14 -0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 29.51 2jgg h GLU 81 CO 0.89 0.33 0.13 0.78 -1.18 0.00 0.00 179.01 179.96 2jgg h GLY 82 N 0.51 0.96 1.03 1.92 0.00 -1.92 -1.79 103.07 103.77 2jgg h GLY 82 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.27 2jgg h GLY 82 CO -0.21 -0.22 -1.68 -0.91 0.00 0.00 0.00 176.54 173.52 2jgg h THR 83 N 0.22 1.00 -0.52 4.70 1.35 -1.82 -3.39 112.91 114.45 2jgg h THR 83 Ca 0.41 -2.62 0.05 0.00 -0.55 0.00 0.00 66.41 63.70 2jgg h THR 83 Cb 0.70 2.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.83 2jgg h THR 83 CO -0.54 0.83 0.35 -0.33 -0.25 0.00 0.00 175.52 175.58 2jgg h GLU 84 N 0.09 0.49 0.00 4.72 4.39 -0.60 -2.33 114.58 121.33 2jgg h GLU 84 Ca -0.31 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2jgg h GLU 84 Cb 2.06 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 2jgg h GLU 84 CO 0.17 0.32 0.00 0.00 -1.16 0.00 0.00 179.01 178.34 2jgg h MET 85 N 0.50 0.00 0.00 2.33 -0.00 -1.52 -0.74 114.93 115.50 2jgg h MET 85 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.92 2jgg h MET 85 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 2jgg h MET 85 CO -0.06 0.00 -1.31 0.91 -0.00 0.00 0.00 176.91 176.45 2jgg n TRP 86 N -2.72 0.23 -1.78 -0.10 7.02 -0.88 -4.77 117.44 114.44 2jgg n TRP 86 Ca -0.02 0.07 -0.33 0.00 -1.02 0.00 0.00 57.50 56.20 2jgg n TRP 86 Cb 0.10 -0.46 0.04 0.00 -2.42 0.00 0.00 31.31 28.57 2jgg n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jgg s ASN 87 N -4.14 5.26 0.55 -0.99 0.01 -0.29 -4.60 114.94 110.74 2jgg s ASN 87 Ca 0.00 1.91 -0.21 0.00 -0.71 0.00 0.00 52.86 53.85 2jgg s ASN 87 Cb 0.14 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 2jgg s ASN 87 CO 0.84 -1.52 1.16 -2.65 -1.51 0.00 0.00 177.10 173.41 2jgg n PRO 88 N -2.46 1.31 -0.16 -0.60 -0.02 -1.26 -4.94 135.00 126.88 2jgg n PRO 88 Ca 0.10 0.49 0.03 0.00 -2.02 0.00 0.00 63.50 62.10 2jgg n PRO 88 Cb 0.52 -2.34 0.04 0.00 -0.02 0.00 0.00 33.50 31.70 2jgg n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jgg n ASN 89 N -0.74 1.15 -4.09 2.55 6.94 -1.26 -5.02 115.26 114.79 2jgg n ASN 89 Ca 0.12 -2.13 -0.10 0.00 -0.02 0.00 0.00 54.58 52.45 2jgg n ASN 89 Cb 0.45 -0.19 -0.08 0.00 -2.36 0.00 0.00 39.78 37.60 2jgg n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jgg s ARG 90 N -1.09 1.28 0.48 -3.83 1.81 -1.26 -5.07 118.95 111.28 2jgg s ARG 90 Ca 0.10 -1.42 -0.24 0.00 -1.72 0.00 0.00 55.73 52.44 2jgg s ARG 90 Cb 0.08 0.35 -0.07 0.00 -0.45 0.00 0.00 34.95 34.86 2jgg s ARG 90 CO 0.01 -0.46 1.41 -1.91 -0.68 0.00 0.00 175.30 173.66 2jgg n GLU 91 N -0.28 2.09 -2.76 3.54 2.13 -1.26 -4.28 120.64 119.83 2jgg n GLU 91 Ca -0.01 0.75 -0.41 0.00 0.66 0.00 0.00 57.16 58.15 2jgg n GLU 91 Cb 0.64 -2.61 -0.04 0.00 0.27 0.00 0.00 31.44 29.70 2jgg n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jgg s LEU 92 N -2.86 4.46 -0.08 4.31 1.43 -1.26 -1.46 118.68 123.21 2jgg s LEU 92 Ca 0.64 1.71 -0.31 0.00 -1.03 0.00 0.00 54.13 55.14 2jgg s LEU 92 Cb -0.44 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.33 2jgg s LEU 92 CO 0.55 -0.11 0.79 -0.55 0.23 0.00 0.00 176.35 177.26 2jgg s SER 93 N 0.28 -0.56 0.44 2.29 0.15 -0.83 -4.94 113.70 110.53 2jgg s SER 93 Ca 0.47 0.60 0.29 0.00 0.70 0.00 0.00 55.95 58.01 2jgg s SER 93 Cb -0.22 0.46 1.06 0.00 -1.71 0.00 0.00 66.02 65.61 2jgg s SER 93 CO 0.28 -0.52 1.85 -0.33 1.20 0.00 0.00 173.24 175.72 2jgg h GLU 94 N 2.84 0.00 -5.31 5.44 5.08 -1.94 -2.94 114.58 117.74 2jgg h GLU 94 Ca -0.24 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.45 2jgg h GLU 94 Cb 1.15 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.24 2jgg h GLU 94 CO 0.36 0.00 0.97 0.34 -1.00 0.00 0.00 179.01 179.68 2jgg s ASP 95 N -5.38 6.57 0.00 1.42 2.15 -1.26 -4.27 116.67 115.89 2jgg s ASP 95 Ca 0.04 -1.83 0.00 0.00 0.43 0.00 0.00 52.55 51.18 2jgg s ASP 95 Cb 0.09 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2jgg s ASP 95 CO 0.54 -1.19 0.17 0.00 -0.17 0.00 0.00 175.17 174.51 2jgg n LEU 97 N 0.00 5.40 -4.27 0.00 4.77 -1.26 -4.58 117.00 117.05 2jgg n LEU 97 Ca 0.00 -3.74 -0.17 0.00 -0.03 0.00 0.00 56.01 52.07 2jgg n LEU 97 Cb 0.36 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 39.75 2jgg n LEU 97 CO 0.00 0.24 -0.43 -0.31 -1.33 0.00 0.00 177.39 175.56 2jgg s TYR 98 N 4.69 1.43 0.34 -1.77 2.02 -1.26 -2.39 117.35 120.40 2jgg s TYR 98 Ca 0.53 -0.64 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 2jgg s TYR 98 Cb 0.10 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.90 2jgg s TYR 98 CO 0.02 0.17 0.10 -0.48 -1.57 0.00 0.00 175.55 173.79 2jgg s LEU 99 N -2.94 1.98 0.03 -1.29 0.05 0.81 -1.54 118.68 115.78 2jgg s LEU 99 Ca 0.15 -1.50 0.04 0.00 0.05 0.00 0.00 54.13 52.88 2jgg s LEU 99 Cb -0.01 -0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 43.94 2jgg s LEU 99 CO 0.03 -0.76 -0.12 0.20 -0.55 0.00 0.00 176.35 175.15 2jgg s ASN 100 N -3.49 1.39 -0.07 1.48 0.01 0.23 -0.25 114.94 114.23 2jgg s ASN 100 Ca 0.32 -0.43 -0.01 0.00 -0.71 0.00 0.00 52.86 52.03 2jgg s ASN 100 Cb 0.06 -0.07 0.03 0.00 0.41 0.00 0.00 41.25 41.67 2jgg s ASN 100 CO 0.15 -0.01 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.02 2jgg s VAL 101 N -0.86 0.51 -0.08 1.60 1.01 0.55 -1.56 120.40 121.57 2jgg s VAL 101 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2jgg s VAL 101 Cb -0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2jgg s VAL 101 CO 0.01 0.27 0.01 0.26 0.00 0.00 0.00 175.10 175.65 2jgg s TRP 102 N 1.74 3.18 0.05 5.22 0.51 0.74 -0.49 118.94 129.89 2jgg s TRP 102 Ca 0.02 0.21 -0.04 0.00 -2.12 0.00 0.00 56.10 54.17 2jgg s TRP 102 Cb -0.13 -1.79 -0.02 0.00 -0.81 0.00 0.00 33.47 30.72 2jgg s TRP 102 CO -0.05 0.49 0.05 0.95 -0.51 0.00 0.00 176.95 177.88 2jgg s THR 103 N -0.91 0.17 1.07 2.01 -4.23 -0.52 -0.20 115.64 113.04 2jgg s THR 103 Ca 0.14 -1.44 -0.17 0.00 -1.18 0.00 0.00 61.69 59.04 2jgg s THR 103 Cb -0.11 -1.25 0.09 0.00 1.34 0.00 0.00 72.50 72.57 2jgg s THR 103 CO 0.03 -0.79 0.16 -2.65 -0.54 0.00 0.00 174.62 170.83 2jgg n PRO 104 N 0.32 -1.27 -3.69 3.99 -0.02 -1.26 -0.26 135.00 132.81 2jgg n PRO 104 Ca -0.16 -0.35 -0.22 0.00 -2.02 0.00 0.00 63.50 60.76 2jgg n PRO 104 Cb 0.60 -1.76 -0.18 0.00 -0.02 0.00 0.00 33.50 32.14 2jgg n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgg s TYR 105 N -2.29 0.28 1.01 6.00 5.04 -1.24 -3.28 117.35 122.87 2jgg s TYR 105 Ca 0.57 0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 55.11 2jgg s TYR 105 Cb -0.15 -0.61 0.19 0.00 0.35 0.00 0.00 41.96 41.74 2jgg s TYR 105 CO 0.66 -0.28 1.08 -1.25 -1.34 0.00 0.00 175.55 174.43 2jgg s PRO 106 N 2.10 0.34 0.36 4.97 0.04 -1.26 -4.81 135.00 136.74 2jgg s PRO 106 Ca 0.04 0.63 -0.28 0.00 0.04 0.00 0.00 61.00 61.43 2jgg s PRO 106 Cb -0.13 -1.72 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 2jgg s PRO 106 CO -0.04 -2.82 1.46 1.03 0.04 0.00 0.00 177.00 176.67 2jgg s ARG 107 N -4.88 4.16 0.30 4.56 0.52 -1.20 -4.92 118.95 117.48 2jgg s ARG 107 Ca 0.66 2.50 -0.30 0.00 -0.52 0.00 0.00 55.73 58.07 2jgg s ARG 107 Cb -0.19 -3.00 -0.12 0.00 0.52 0.00 0.00 34.95 32.16 2jgg s ARG 107 CO 0.59 -0.48 1.52 -0.35 0.02 0.00 0.00 175.30 176.60 2jgg n PRO 108 N 0.75 2.52 0.09 3.54 -0.04 -1.26 -4.92 135.00 135.68 2jgg n PRO 108 Ca 0.02 0.89 -0.05 0.00 -0.04 0.00 0.00 63.50 64.32 2jgg n PRO 108 Cb 0.40 -2.63 0.11 0.00 -0.04 0.00 0.00 33.50 31.34 2jgg n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jgg h ALA 109 N 4.26 0.82 -3.31 0.55 0.00 -1.94 -3.44 119.26 116.20 2jgg h ALA 109 Ca -0.47 -0.57 -0.66 0.00 0.00 0.00 0.00 54.91 53.21 2jgg h ALA 109 Cb 1.24 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 2jgg h ALA 109 CO 0.75 0.76 -0.62 -1.54 0.00 0.00 0.00 179.25 178.60 2jgg s SER 110 N -6.89 5.18 -0.35 0.00 1.04 -1.26 -5.05 113.70 106.37 2jgg s SER 110 Ca -0.03 0.05 -0.32 0.00 0.48 0.00 0.00 55.95 56.13 2jgg s SER 110 Cb 0.12 -1.65 -0.14 0.00 0.10 0.00 0.00 66.02 64.45 2jgg s SER 110 CO 0.80 0.28 1.27 -2.65 0.98 0.00 0.00 173.24 173.92 2jgg n PRO 111 N 2.79 0.00 -3.62 4.02 -0.02 -1.26 -4.97 135.00 131.95 2jgg n PRO 111 Ca -0.18 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.93 2jgg n PRO 111 Cb 0.53 -1.04 -0.06 0.00 -0.02 0.00 0.00 33.50 32.91 2jgg n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jgg s THR 112 N 3.00 5.16 0.63 3.45 2.01 0.49 -4.74 115.64 125.64 2jgg s THR 112 Ca 0.77 0.59 -0.18 0.00 0.31 0.00 0.00 61.69 63.19 2jgg s THR 112 Cb -1.04 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 67.83 2jgg s THR 112 CO 0.52 0.53 1.24 -2.84 -0.69 0.00 0.00 174.62 173.38 2jgg s PRO 113 N -1.24 2.73 -0.11 4.92 0.02 -1.26 0.97 135.00 141.03 2jgg s PRO 113 Ca 0.23 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.17 2jgg s PRO 113 Cb -0.15 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 2jgg s PRO 113 CO 0.12 -1.41 -0.12 0.08 -0.33 0.00 0.00 177.00 175.34 2jgg s VAL 114 N -1.56 3.17 -0.12 3.83 1.01 0.21 -3.01 120.40 123.93 2jgg s VAL 114 Ca 0.79 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2jgg s VAL 114 Cb -0.33 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2jgg s VAL 114 CO 0.37 0.54 -0.06 -0.76 0.00 0.00 0.00 175.10 175.19 2jgg s LEU 115 N 0.03 3.18 -0.15 3.92 1.43 -0.43 -0.68 118.68 125.98 2jgg s LEU 115 Ca -0.04 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2jgg s LEU 115 Cb -0.14 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2jgg s LEU 115 CO 0.04 0.24 -0.19 -0.63 0.23 0.00 0.00 176.35 176.04 2jgg s ILE 116 N -0.09 2.28 -0.13 -0.59 1.01 -0.31 -0.34 121.20 123.02 2jgg s ILE 116 Ca 0.01 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 2jgg s ILE 116 Cb -0.13 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 2jgg s ILE 116 CO 0.03 0.53 0.21 0.86 0.00 0.00 0.00 174.94 176.57 2jgg s TRP 117 N 0.92 3.53 -0.27 3.97 -0.11 0.50 -0.76 118.94 126.72 2jgg s TRP 117 Ca -0.04 0.56 0.03 0.00 1.22 0.00 0.00 56.10 57.87 2jgg s TRP 117 Cb -0.15 -2.15 0.07 0.00 -1.50 0.00 0.00 33.47 29.74 2jgg s TRP 117 CO -0.03 0.48 -0.08 0.42 -4.62 0.00 0.00 176.95 173.12 2jgg s ILE 118 N -0.30 2.21 0.68 5.86 1.01 -0.30 -3.97 121.20 126.39 2jgg s ILE 118 Ca 0.15 -1.75 -0.16 0.00 0.00 0.00 0.00 60.65 58.88 2jgg s ILE 118 Cb -0.13 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.99 2jgg s ILE 118 CO 0.04 -0.13 1.21 -0.72 0.00 0.00 0.00 174.94 175.34 2jgg s TYR 119 N 1.07 2.19 0.08 3.97 -0.85 -1.26 -3.39 117.35 119.17 2jgg s TYR 119 Ca -0.06 1.56 0.01 0.00 -0.52 0.00 0.00 57.07 58.06 2jgg s TYR 119 Cb -0.20 -3.48 0.01 0.00 0.38 0.00 0.00 41.96 38.67 2jgg s TYR 119 CO -0.05 -2.48 0.12 0.41 -1.52 0.00 0.00 175.55 172.03 2jgg n GLY 120 N 0.42 1.83 0.00 5.49 0.00 -1.08 -3.25 105.19 108.60 2jgg n GLY 120 Ca 0.14 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2jgg n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgg n GLY 121 N 3.99 0.52 2.64 -0.02 0.00 -1.26 -4.24 105.19 106.83 2jgg n GLY 121 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2jgg n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jgg n GLY 122 N 0.00 0.58 2.50 -0.02 0.00 -1.26 -1.14 105.19 105.86 2jgg n GLY 122 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 2jgg n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgg n PHE 123 N -2.36 0.00 0.27 1.61 3.72 -1.26 -4.81 117.46 114.64 2jgg n PHE 123 Ca -0.05 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.38 2jgg n PHE 123 Cb 0.41 -1.12 -0.03 0.00 -0.94 0.00 0.00 39.48 37.80 2jgg n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jgg n TYR 124 N -2.50 0.00 -3.91 1.38 0.18 -0.29 0.23 117.16 112.25 2jgg n TYR 124 Ca -0.01 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.67 2jgg n TYR 124 Cb 0.27 -0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.22 2jgg n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jgg s SER 125 N -1.54 0.27 0.00 9.48 1.04 -0.46 -3.92 113.70 118.56 2jgg s SER 125 Ca 0.02 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2jgg s SER 125 Cb 0.04 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.94 2jgg s SER 125 CO 0.23 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.54 2jgg n GLY 126 N -0.53 2.66 3.39 7.32 0.00 -1.26 -4.12 105.19 112.66 2jgg n GLY 126 Ca -0.05 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 2jgg n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgg s ALA 127 N -2.44 -1.32 -1.70 4.61 0.00 -1.26 -4.70 121.76 114.94 2jgg s ALA 127 Ca 0.00 0.90 0.30 0.00 0.00 0.00 0.00 51.96 53.15 2jgg s ALA 127 Cb 0.00 -0.01 1.40 0.00 0.00 0.00 0.00 23.12 24.51 2jgg s ALA 127 CO 0.00 -0.32 1.96 0.00 0.00 0.00 0.00 175.76 177.40 2jgg n ALA 128 N 1.16 2.67 0.85 0.00 0.00 -1.26 -3.82 120.51 120.11 2jgg n ALA 128 Ca -0.20 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.12 2jgg n ALA 128 Cb 0.57 -1.39 0.12 0.00 0.00 0.00 0.00 19.45 18.74 2jgg n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jgg n SER 129 N -0.98 3.02 -4.60 0.00 3.41 -1.26 -4.84 113.62 108.37 2jgg n SER 129 Ca 0.16 -1.97 -0.40 0.00 -0.26 0.00 0.00 58.87 56.40 2jgg n SER 129 Cb 0.24 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2jgg n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgg n LEU 130 N 1.33 2.73 -0.36 1.04 4.77 -1.25 -4.91 117.00 120.35 2jgg n LEU 130 Ca 0.14 0.95 0.06 0.00 -0.03 0.00 0.00 56.01 57.13 2jgg n LEU 130 Cb 0.58 -1.35 0.22 0.00 -2.33 0.00 0.00 43.42 40.54 2jgg n LEU 130 CO 0.15 -1.71 1.24 0.44 -1.33 0.00 0.00 177.39 176.18 2jgg h ASP 131 N 1.17 0.95 0.30 -1.43 5.19 -1.93 -2.28 116.42 118.38 2jgg h ASP 131 Ca -0.46 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2jgg h ASP 131 Cb 1.35 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2jgg h ASP 131 CO 0.54 0.54 0.00 1.33 -3.12 0.00 0.00 179.24 178.53 2jgg n VAL 132 N -4.59 1.28 -0.29 -1.35 0.24 -1.26 -1.69 118.33 110.67 2jgg n VAL 132 Ca 0.18 0.32 0.09 0.00 -2.04 0.00 0.00 64.34 62.88 2jgg n VAL 132 Cb 0.31 -1.16 0.24 0.00 -1.47 0.00 0.00 33.84 31.75 2jgg n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgg n TYR 133 N -1.47 0.73 -1.58 6.34 4.01 -0.86 -4.49 117.16 119.84 2jgg n TYR 133 Ca 0.03 -0.51 -0.44 0.00 -0.16 0.00 0.00 57.90 56.82 2jgg n TYR 133 Cb 0.10 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 2jgg n TYR 133 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2jgg n ASP 134 N 1.04 3.18 0.00 7.72 -0.08 -0.68 -4.86 116.55 122.87 2jgg n ASP 134 Ca 0.18 0.30 0.12 0.00 -1.51 0.00 0.00 54.79 53.89 2jgg n ASP 134 Cb 0.53 -1.51 0.64 0.00 2.34 0.00 0.00 41.12 43.13 2jgg n ASP 134 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jgg n GLY 135 N 5.75 -1.12 0.29 0.27 0.00 -1.26 -4.12 105.19 105.01 2jgg n GLY 135 Ca 0.31 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2jgg n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jgg h ARG 136 N 0.00 0.34 -0.01 1.61 0.11 -1.91 -1.23 114.38 113.28 2jgg h ARG 136 Ca 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 2jgg h ARG 136 Cb 0.23 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.24 2jgg h ARG 136 CO 0.00 0.22 -0.13 0.74 0.10 0.00 0.00 179.97 180.90 2jgg h PHE 137 N 0.35 0.16 -0.52 4.08 0.04 -1.77 0.21 116.94 119.48 2jgg h PHE 137 Ca 0.10 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2jgg h PHE 137 Cb -0.00 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 2jgg h PHE 137 CO -0.00 0.82 0.25 -0.07 -0.60 0.00 0.00 178.31 178.70 2jgg h LEU 138 N -0.55 0.66 0.65 1.54 3.38 -1.69 0.15 115.31 119.45 2jgg h LEU 138 Ca -0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2jgg h LEU 138 Cb 0.84 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.43 2jgg h LEU 138 CO 0.03 0.57 -0.31 0.00 0.09 0.00 0.00 178.44 178.81 2jgg h ALA 139 N 1.54 -0.88 0.84 1.53 0.00 -1.18 -2.46 119.26 118.65 2jgg h ALA 139 Ca 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jgg h ALA 139 Cb 0.09 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jgg h ALA 139 CO -0.02 -0.94 -0.40 0.37 0.00 0.00 0.00 179.25 178.25 2jgg h GLN 140 N -0.97 -1.09 0.00 0.00 -0.00 -0.80 -1.60 115.11 110.65 2jgg h GLN 140 Ca -0.09 0.07 -0.24 0.00 -0.00 0.00 0.00 58.65 58.39 2jgg h GLN 140 Cb 0.70 0.25 0.02 0.00 0.00 0.00 0.00 27.48 28.45 2jgg h GLN 140 CO 0.15 -0.72 -0.94 0.28 0.00 0.00 0.00 178.83 177.60 2jgg h VAL 141 N -1.29 1.31 -0.01 2.39 2.07 -0.85 -3.30 116.25 116.57 2jgg h VAL 141 Ca -0.12 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.20 2jgg h VAL 141 Cb 0.87 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2jgg h VAL 141 CO 0.19 0.67 -0.58 -0.62 0.02 0.00 0.00 177.57 177.26 2jgg n GLU 142 N -3.94 0.95 -1.84 1.57 -0.58 -0.94 -4.97 120.64 110.89 2jgg n GLU 142 Ca -0.11 -0.78 -0.14 0.00 -0.42 0.00 0.00 57.16 55.72 2jgg n GLU 142 Cb 0.83 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 30.19 2jgg n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jgg n GLY 143 N 1.44 0.59 3.87 0.62 0.00 -0.61 -4.99 105.19 106.11 2jgg n GLY 143 Ca 0.08 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2jgg n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgg s ALA 144 N -2.59 3.32 -0.36 4.61 0.00 -1.09 -4.76 121.76 120.89 2jgg s ALA 144 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 2jgg s ALA 144 Cb 0.00 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 2jgg s ALA 144 CO 0.00 -0.04 0.25 0.08 0.00 0.00 0.00 175.76 176.05 2jgg s VAL 145 N -2.41 5.27 -0.17 0.00 1.01 -1.16 -4.18 120.40 118.76 2jgg s VAL 145 Ca 0.52 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 2jgg s VAL 145 Cb -0.10 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2jgg s VAL 145 CO 0.32 -0.08 0.03 -0.22 0.00 0.00 0.00 175.10 175.15 2jgg s LEU 146 N 1.71 3.65 -0.06 3.92 0.20 0.71 -1.31 118.68 127.50 2jgg s LEU 146 Ca 0.06 0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.95 2jgg s LEU 146 Cb -0.18 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 43.68 2jgg s LEU 146 CO 0.10 0.19 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.49 2jgg s VAL 147 N 0.26 1.51 0.03 1.68 1.01 0.54 -0.19 120.40 125.23 2jgg s VAL 147 Ca 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2jgg s VAL 147 Cb -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2jgg s VAL 147 CO 0.01 0.44 -0.10 -0.94 0.00 0.00 0.00 175.10 174.50 2jgg s SER 148 N 0.29 1.18 0.12 3.32 1.04 -0.60 -0.37 113.70 118.68 2jgg s SER 148 Ca -0.10 -0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.04 2jgg s SER 148 Cb -0.14 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 2jgg s SER 148 CO 0.04 -0.02 -0.23 0.00 0.98 0.00 0.00 173.24 174.02 2jgg s MET 149 N -0.96 1.26 0.25 4.02 0.23 -1.25 0.74 119.30 123.58 2jgg s MET 149 Ca -0.01 -1.28 -0.27 0.00 -1.03 0.00 0.00 55.69 53.10 2jgg s MET 149 Cb -0.07 -1.58 -0.09 0.00 -1.53 0.00 0.00 34.83 31.56 2jgg s MET 149 CO 0.01 0.36 0.89 -0.80 -2.03 0.00 0.00 175.02 173.45 2jgg s ASN 150 N -2.09 7.48 0.04 -1.18 0.01 -0.59 -4.54 114.94 114.07 2jgg s ASN 150 Ca 0.11 1.82 0.02 0.00 -0.71 0.00 0.00 52.86 54.10 2jgg s ASN 150 Cb -0.09 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 2jgg s ASN 150 CO 0.05 0.10 -0.07 -0.72 -1.51 0.00 0.00 177.10 174.95 2jgg s TYR 151 N -1.31 0.64 0.31 2.20 1.13 -1.26 -4.50 117.35 114.56 2jgg s TYR 151 Ca 0.42 -0.46 -0.29 0.00 -1.41 0.00 0.00 57.07 55.33 2jgg s TYR 151 Cb -0.23 -0.39 -0.11 0.00 -1.10 0.00 0.00 41.96 40.14 2jgg s TYR 151 CO 0.28 -0.08 1.53 1.03 -2.51 0.00 0.00 175.55 175.80 2jgg s ARG 152 N -1.43 4.15 0.48 -3.49 0.52 -1.26 -4.85 118.95 113.07 2jgg s ARG 152 Ca -0.09 2.52 0.04 0.00 -0.52 0.00 0.00 55.73 57.68 2jgg s ARG 152 Cb -0.09 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 2jgg s ARG 152 CO 0.00 -0.56 0.11 0.14 0.02 0.00 0.00 175.30 175.02 2jgg s VAL 153 N -0.33 1.66 0.00 3.52 -7.23 -1.26 -4.25 120.40 112.51 2jgg s VAL 153 Ca 0.59 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 2jgg s VAL 153 Cb -0.46 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2jgg s VAL 153 CO 0.51 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 2jgg n GLY 154 N -1.29 0.95 0.34 2.32 0.00 0.61 -2.13 105.19 106.01 2jgg n GLY 154 Ca -0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 2jgg n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jgg h THR 155 N 0.00 0.16 -0.12 2.61 1.35 -1.88 0.16 112.91 115.19 2jgg h THR 155 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 2jgg h THR 155 Cb 0.00 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 66.57 2jgg h THR 155 CO 0.00 0.00 0.29 -0.26 -0.25 0.00 0.00 175.52 175.30 2jgg h PHE 156 N -0.13 0.00 0.00 4.73 0.04 -1.89 0.12 116.94 119.80 2jgg h PHE 156 Ca 0.25 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.71 2jgg h PHE 156 Cb 0.56 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.65 2jgg h PHE 156 CO -0.66 0.00 -2.17 0.41 -0.60 0.00 0.00 178.31 175.29 2jgg n GLY 157 N -1.29 -0.57 0.00 -1.45 0.00 -0.02 -4.26 105.19 97.60 2jgg n GLY 157 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2jgg n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jgg n PHE 158 N -2.85 0.00 -1.90 1.61 3.72 0.36 -1.53 117.46 116.88 2jgg n PHE 158 Ca -0.32 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.65 2jgg n PHE 158 Cb 0.97 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.48 2jgg n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jgg s LEU 159 N -0.02 4.37 -0.02 4.37 0.20 0.33 -4.45 118.68 123.46 2jgg s LEU 159 Ca 0.00 2.67 -0.02 0.00 0.69 0.00 0.00 54.13 57.47 2jgg s LEU 159 Cb 0.00 -3.60 0.01 0.00 -0.43 0.00 0.00 46.19 42.17 2jgg s LEU 159 CO 0.00 -0.84 0.06 0.00 -0.29 0.00 0.00 176.35 175.27 2jgg s ALA 160 N 1.05 -0.12 -0.69 5.97 0.00 -1.26 -4.34 121.76 122.36 2jgg s ALA 160 Ca 0.70 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 2jgg s ALA 160 Cb -0.45 -0.14 0.18 0.00 0.00 0.00 0.00 23.12 22.71 2jgg s ALA 160 CO 0.32 -0.05 0.54 -0.51 0.00 0.00 0.00 175.76 176.07 2jgg s LEU 161 N 0.25 5.53 0.26 0.00 1.43 -0.17 -4.16 118.68 121.81 2jgg s LEU 161 Ca -0.02 -2.95 -0.30 0.00 -1.03 0.00 0.00 54.13 49.83 2jgg s LEU 161 Cb -0.03 -1.92 -0.14 0.00 0.03 0.00 0.00 46.19 44.14 2jgg s LEU 161 CO -0.01 -0.38 1.29 -2.65 0.23 0.00 0.00 176.35 174.83 2jgg n PRO 162 N 3.41 1.84 0.00 1.29 -0.02 -1.26 -1.59 135.00 138.67 2jgg n PRO 162 Ca 0.11 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2jgg n PRO 162 Cb 0.39 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2jgg n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jgg n GLY 163 N 1.67 2.94 3.51 -1.23 0.00 -1.26 -5.06 105.19 105.77 2jgg n GLY 163 Ca 0.10 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2jgg n GLY 163 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jgg n SER 164 N 0.92 -1.31 -0.01 1.61 3.41 -0.62 -4.98 113.62 112.64 2jgg n SER 164 Ca 0.00 -0.04 -0.18 0.00 -0.26 0.00 0.00 58.87 58.40 2jgg n SER 164 Cb 0.00 -1.30 -0.14 0.00 -0.26 0.00 0.00 64.21 62.51 2jgg n SER 164 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jgg n ARG 165 N -4.79 0.72 0.00 4.33 0.63 -1.26 -4.17 116.66 112.12 2jgg n ARG 165 Ca 0.05 0.26 0.13 0.00 -0.92 0.00 0.00 57.85 57.37 2jgg n ARG 165 Cb 0.54 -1.71 0.45 0.00 0.45 0.00 0.00 32.46 32.18 2jgg n ARG 165 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jgg n GLU 166 N -3.34 0.66 -2.75 -0.14 4.71 -1.26 -4.37 120.64 114.16 2jgg n GLU 166 Ca -0.29 -0.33 -0.06 0.00 -0.01 0.00 0.00 57.16 56.46 2jgg n GLU 166 Cb 1.05 -1.49 0.04 0.00 -1.01 0.00 0.00 31.44 30.02 2jgg n GLU 166 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jgg n ALA 167 N -0.88 -1.76 0.47 0.62 0.00 -1.26 -4.45 120.51 113.25 2jgg n ALA 167 Ca 0.12 -1.18 0.12 0.00 0.00 0.00 0.00 53.44 52.50 2jgg n ALA 167 Cb 0.32 -1.55 0.47 0.00 0.00 0.00 0.00 19.45 18.68 2jgg n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jgg n PRO 168 N 2.05 0.23 0.00 0.00 -0.04 -1.26 -1.00 135.00 134.98 2jgg n PRO 168 Ca 0.11 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 2jgg n PRO 168 Cb 0.61 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2jgg n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jgg n GLY 169 N 0.44 -0.41 2.51 0.55 0.00 -1.26 -4.61 105.19 102.41 2jgg n GLY 169 Ca 0.03 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 2jgg n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jgg n ASN 170 N -1.23 -5.13 0.22 1.61 3.02 -1.26 -4.88 115.26 107.60 2jgg n ASN 170 Ca 0.00 0.42 0.10 0.00 -0.03 0.00 0.00 54.58 55.06 2jgg n ASN 170 Cb 0.00 -4.20 0.48 0.00 -0.61 0.00 0.00 39.78 35.46 2jgg n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jgg h VAL 171 N 0.00 0.60 -0.47 2.41 -1.51 -1.78 -2.02 116.25 113.49 2jgg h VAL 171 Ca -0.37 -1.09 -0.06 0.00 -1.23 0.00 0.00 66.70 63.96 2jgg h VAL 171 Cb 1.16 1.72 -0.02 0.00 -2.13 0.00 0.00 31.29 32.02 2jgg h VAL 171 CO 0.53 0.23 0.04 1.23 -1.23 0.00 0.00 177.57 178.37 2jgg h GLY 172 N 1.88 0.80 1.49 5.19 0.00 -1.48 0.29 103.07 111.24 2jgg h GLY 172 Ca -0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 2jgg h GLY 172 CO 0.03 0.46 -0.45 1.41 0.00 0.00 0.00 176.54 177.99 2jgg h LEU 173 N 0.71 0.59 -0.45 3.11 3.38 -1.71 -2.38 115.31 118.57 2jgg h LEU 173 Ca 0.15 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2jgg h LEU 173 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jgg h LEU 173 CO 0.01 0.96 -0.09 -0.07 0.09 0.00 0.00 178.44 179.35 2jgg h LEU 174 N 0.45 0.85 -1.09 1.67 3.38 -0.67 0.70 115.31 120.60 2jgg h LEU 174 Ca 0.03 -0.35 0.13 0.00 0.09 0.00 0.00 57.88 57.78 2jgg h LEU 174 Cb 0.97 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2jgg h LEU 174 CO 0.09 1.00 0.61 0.44 0.09 0.00 0.00 178.44 180.67 2jgg h ASP 175 N 0.68 0.85 -0.07 -0.43 3.32 -0.33 0.01 116.42 120.45 2jgg h ASP 175 Ca 0.12 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2jgg h ASP 175 Cb 0.62 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2jgg h ASP 175 CO 0.04 0.44 -0.04 1.56 -1.72 0.00 0.00 179.24 179.52 2jgg h GLN 176 N 0.90 0.16 -0.71 3.56 4.20 -0.79 -2.46 115.11 119.96 2jgg h GLN 176 Ca 0.49 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 59.22 2jgg h GLN 176 Cb 0.57 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 2jgg h GLN 176 CO -0.25 0.54 0.34 -0.09 -0.67 0.00 0.00 178.83 178.70 2jgg h ARG 177 N -0.23 0.56 -0.64 1.46 2.43 -0.45 -1.10 114.38 116.41 2jgg h ARG 177 Ca 0.02 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2jgg h ARG 177 Cb 0.50 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 2jgg h ARG 177 CO 0.01 0.37 0.39 1.25 -1.51 0.00 0.00 179.97 180.49 2jgg h LEU 178 N 0.58 0.64 -1.24 3.80 5.85 -0.93 0.60 115.31 124.61 2jgg h LEU 178 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2jgg h LEU 178 Cb 0.38 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2jgg h LEU 178 CO -0.28 0.44 0.46 0.00 -0.34 0.00 0.00 178.44 178.73 2jgg h ALA 179 N 1.28 1.44 -0.47 1.25 0.00 -0.86 0.11 119.26 122.00 2jgg h ALA 179 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jgg h ALA 179 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2jgg h ALA 179 CO -0.11 0.50 0.21 -0.07 0.00 0.00 0.00 179.25 179.78 2jgg h LEU 180 N 1.00 0.63 -0.48 0.00 3.38 -0.13 -1.08 115.31 118.62 2jgg h LEU 180 Ca 0.27 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2jgg h LEU 180 Cb -0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2jgg h LEU 180 CO -0.05 0.61 0.24 1.56 0.09 0.00 0.00 178.44 180.89 2jgg h GLN 181 N 0.61 0.47 -0.92 1.13 4.20 -0.09 -0.54 115.11 119.97 2jgg h GLN 181 Ca 0.16 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.99 2jgg h GLN 181 Cb 0.16 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 27.74 2jgg h GLN 181 CO -0.02 0.31 0.53 2.35 -0.67 0.00 0.00 178.83 181.33 2jgg h TRP 182 N 0.48 0.93 -0.52 2.96 7.01 -0.55 -1.76 115.95 124.50 2jgg h TRP 182 Ca 0.21 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.13 2jgg h TRP 182 Cb 0.11 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2jgg h TRP 182 CO -0.10 0.25 -0.11 0.28 -2.79 0.00 0.00 178.44 175.97 2jgg h VAL 183 N 0.74 1.27 -0.60 2.65 2.07 0.18 -0.71 116.25 121.84 2jgg h VAL 183 Ca 0.50 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.78 2jgg h VAL 183 Cb 0.69 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2jgg h VAL 183 CO -0.35 0.45 0.36 1.56 0.02 0.00 0.00 177.57 179.61 2jgg h GLN 184 N 0.87 0.69 0.17 1.57 1.08 -0.41 -1.08 115.11 118.01 2jgg h GLN 184 Ca 0.13 -0.04 -0.31 0.00 -1.45 0.00 0.00 58.65 56.98 2jgg h GLN 184 Cb 0.68 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2jgg h GLN 184 CO 0.05 0.46 -1.42 1.49 -0.95 0.00 0.00 178.83 178.46 2jgg h GLU 185 N 0.72 0.36 0.00 1.46 4.81 -1.32 -3.42 114.58 117.19 2jgg h GLU 185 Ca 0.24 -0.62 -0.07 0.00 -0.13 0.00 0.00 59.36 58.78 2jgg h GLU 185 Cb 0.04 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2jgg h GLU 185 CO -0.11 1.28 -1.73 0.09 -0.73 0.00 0.00 179.01 177.81 2jgg n ASN 186 N -3.58 1.76 0.24 1.04 3.02 -0.28 -4.59 115.26 112.87 2jgg n ASN 186 Ca -0.14 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.59 2jgg n ASN 186 Cb 1.06 1.39 0.88 0.00 -0.61 0.00 0.00 39.78 42.50 2jgg n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jgg h ILE 187 N 0.00 0.33 0.00 2.41 6.09 -1.31 0.59 117.51 125.61 2jgg h ILE 187 Ca -0.11 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.31 2jgg h ILE 187 Cb 1.01 0.82 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 2jgg h ILE 187 CO 0.01 0.00 -0.31 0.00 -3.07 0.00 0.00 178.15 174.78 2jgg h ALA 188 N 1.71 1.36 -0.04 0.18 0.00 -1.80 -0.58 119.26 120.09 2jgg h ALA 188 Ca 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jgg h ALA 188 Cb 0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jgg h ALA 188 CO -0.00 0.38 0.07 0.00 0.00 0.00 0.00 179.25 179.70 2jgg h ALA 189 N 1.69 1.44 -0.02 0.00 0.00 -1.19 -0.12 119.26 121.07 2jgg h ALA 189 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jgg h ALA 189 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jgg h ALA 189 CO 0.04 -0.09 -0.34 1.19 0.00 0.00 0.00 179.25 180.05 2jgg n PHE 190 N -3.58 0.00 -0.29 0.00 3.01 -0.53 -4.92 117.46 111.15 2jgg n PHE 190 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2jgg n PHE 190 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 2jgg n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgg n GLY 191 N 1.27 0.83 3.89 1.37 0.00 -0.06 -4.64 105.19 107.84 2jgg n GLY 191 Ca 0.09 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2jgg n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jgg s GLY 192 N -2.26 2.22 -0.42 -0.02 0.00 -0.34 -0.38 107.32 106.12 2jgg s GLY 192 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 44.72 44.11 2jgg s GLY 192 CO 0.00 -0.42 0.27 -0.35 0.00 0.00 0.00 173.10 172.59 2jgg s ASP 193 N -2.47 5.68 0.00 1.64 2.15 0.27 -3.51 116.67 120.43 2jgg s ASP 193 Ca 0.42 -1.46 0.14 0.00 0.43 0.00 0.00 52.55 52.09 2jgg s ASP 193 Cb -0.12 -2.00 0.68 0.00 -0.30 0.00 0.00 42.92 41.18 2jgg s ASP 193 CO 0.24 -0.54 1.43 -2.65 -0.17 0.00 0.00 175.17 173.48 2jgg n PRO 194 N 4.94 0.11 -0.07 4.34 -0.02 -1.26 -0.62 135.00 142.42 2jgg n PRO 194 Ca -0.10 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 2jgg n PRO 194 Cb 0.43 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.66 2jgg n PRO 194 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2jgg n MET 195 N -1.38 2.18 -3.45 -0.52 2.81 -1.26 -4.35 117.12 111.15 2jgg n MET 195 Ca 0.05 -1.75 -0.27 0.00 -1.81 0.00 0.00 57.70 53.93 2jgg n MET 195 Cb 0.14 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.08 2jgg n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jgg n SER 196 N 1.04 0.54 -4.33 7.83 2.88 0.21 -4.95 113.62 116.84 2jgg n SER 196 Ca 0.17 -2.65 -0.35 0.00 -1.33 0.00 0.00 58.87 54.70 2jgg n SER 196 Cb 0.52 -0.61 -0.14 0.00 -0.75 0.00 0.00 64.21 63.23 2jgg n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2jgg s VAL 197 N -0.62 3.53 -0.11 2.46 1.01 -1.26 0.64 120.40 126.05 2jgg s VAL 197 Ca 0.32 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2jgg s VAL 197 Cb 0.06 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2jgg s VAL 197 CO -0.17 0.39 -0.05 -0.89 0.00 0.00 0.00 175.10 174.38 2jgg s THR 198 N 1.50 3.83 0.05 3.92 2.01 0.14 -0.25 115.64 126.84 2jgg s THR 198 Ca 0.06 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 2jgg s THR 198 Cb -0.15 -2.62 -0.06 0.00 0.01 0.00 0.00 72.50 69.68 2jgg s THR 198 CO -0.02 0.55 0.41 -0.76 -0.69 0.00 0.00 174.62 174.11 2jgg s LEU 199 N -0.22 4.41 -0.04 4.42 1.43 -0.04 -1.16 118.68 127.48 2jgg s LEU 199 Ca 0.04 0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 53.98 2jgg s LEU 199 Cb -0.13 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.28 2jgg s LEU 199 CO 0.02 0.24 0.12 0.72 0.23 0.00 0.00 176.35 177.68 2jgg s PHE 200 N -1.26 -0.09 0.25 0.29 -0.71 0.06 -0.33 117.98 116.19 2jgg s PHE 200 Ca 0.29 0.23 -0.16 0.00 -1.04 0.00 0.00 56.93 56.25 2jgg s PHE 200 Cb -0.15 0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.69 2jgg s PHE 200 CO 0.16 -0.10 0.55 0.20 -1.34 0.00 0.00 175.22 174.69 2jgg s GLY 201 N -0.19 0.24 -0.40 1.99 0.00 -1.00 -1.15 107.32 106.81 2jgg s GLY 201 Ca -0.03 -0.59 0.11 0.00 0.00 0.00 0.00 44.72 44.21 2jgg s GLY 201 CO 0.00 -0.41 0.97 -2.21 0.00 0.00 0.00 173.10 171.46 2jgg n GLU 202 N -0.39 2.17 0.00 2.90 0.00 -1.22 -1.32 120.64 122.78 2jgg n GLU 202 Ca -0.04 -3.91 0.00 0.00 0.00 0.00 0.00 57.16 53.21 2jgg n GLU 202 Cb 0.61 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.27 2jgg n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jgg n ALA 204 N -0.18 0.00 -0.10 4.31 0.00 -1.26 -2.64 120.51 120.65 2jgg n ALA 204 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.56 2jgg n ALA 204 Cb 0.69 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 2jgg n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jgg h GLY 205 N 0.00 0.68 0.86 0.00 0.00 -1.71 -0.43 103.07 102.47 2jgg h GLY 205 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 2jgg h GLY 205 CO 0.00 0.57 0.04 0.00 0.00 0.00 0.00 176.54 177.15 2jgg h ALA 206 N 0.74 0.33 -0.91 3.60 0.00 -1.64 0.17 119.26 121.55 2jgg h ALA 206 Ca 0.06 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.91 2jgg h ALA 206 Cb 0.70 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2jgg h ALA 206 CO 0.05 0.02 0.53 0.00 0.00 0.00 0.00 179.25 179.85 2jgg h ALA 207 N 0.85 1.37 -0.02 0.00 0.00 -1.74 -0.33 119.26 119.40 2jgg h ALA 207 Ca 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jgg h ALA 207 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jgg h ALA 207 CO 0.01 0.08 0.01 0.77 0.00 0.00 0.00 179.25 180.12 2jgg h SER 208 N 0.82 0.03 -0.36 0.00 0.02 -0.16 -0.47 113.55 113.42 2jgg h SER 208 Ca 0.47 -0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.42 2jgg h SER 208 Cb 0.54 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.98 2jgg h SER 208 CO -0.30 0.09 -0.37 0.58 -1.14 0.00 0.00 176.83 175.69 2jgg h VAL 209 N -0.04 0.18 -0.85 2.27 2.07 0.18 -1.03 116.25 119.02 2jgg h VAL 209 Ca 0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2jgg h VAL 209 Cb 0.07 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 29.92 2jgg h VAL 209 CO -0.00 0.00 0.44 1.23 0.02 0.00 0.00 177.57 179.26 2jgg h GLY 210 N -0.31 1.39 1.68 2.17 0.00 -0.63 -0.46 103.07 106.90 2jgg h GLY 210 Ca 0.15 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 2jgg h GLY 210 CO -0.53 -0.04 -0.14 -0.33 0.00 0.00 0.00 176.54 175.51 2jgg h MET 211 N 0.63 0.39 -0.32 4.80 2.86 0.19 -1.66 114.93 121.82 2jgg h MET 211 Ca 0.46 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.91 2jgg h MET 211 Cb 0.66 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2jgg h MET 211 CO -0.36 0.53 -0.20 0.45 1.06 0.00 0.00 176.91 178.39 2jgg h HIS 212 N 0.36 0.65 -0.66 -0.22 3.86 -0.38 0.29 115.15 119.04 2jgg h HIS 212 Ca 0.07 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2jgg h HIS 212 Cb 0.46 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 2jgg h HIS 212 CO 0.01 0.74 0.44 0.82 0.86 0.00 0.00 177.93 180.80 2jgg h ILE 213 N 0.53 1.03 -0.01 2.45 2.04 -0.52 -3.10 117.51 119.93 2jgg h ILE 213 Ca 0.08 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2jgg h ILE 213 Cb 0.63 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2jgg h ILE 213 CO 0.04 0.13 -0.40 0.18 0.00 0.00 0.00 178.15 178.11 2jgg n LEU 214 N -4.47 1.49 -4.26 1.44 4.77 -0.48 -4.78 117.00 110.70 2jgg n LEU 214 Ca 0.09 -0.50 -0.35 0.00 -0.03 0.00 0.00 56.01 55.22 2jgg n LEU 214 Cb 0.21 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 2jgg n LEU 214 CO 0.34 0.28 -0.36 -0.55 -1.33 0.00 0.00 177.39 175.77 2jgg s SER 215 N -2.52 4.58 0.17 -1.43 0.15 -0.03 -4.81 113.70 109.81 2jgg s SER 215 Ca 0.21 -0.77 -0.19 0.00 0.70 0.00 0.00 55.95 55.90 2jgg s SER 215 Cb 0.19 -1.74 0.10 0.00 -1.71 0.00 0.00 66.02 62.86 2jgg s SER 215 CO 0.56 -0.14 1.63 0.25 1.20 0.00 0.00 173.24 176.75 2jgg h LEU 216 N 8.09 -0.70 -1.89 3.45 7.12 -1.85 -1.07 115.31 128.47 2jgg h LEU 216 Ca -0.33 0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.84 2jgg h LEU 216 Cb 1.12 0.37 0.00 0.00 -0.53 0.00 0.00 40.66 41.62 2jgg h LEU 216 CO 0.59 -0.23 0.04 -0.65 -0.13 0.00 0.00 178.44 178.05 2jgg h PRO 217 N -0.13 0.00 0.00 5.25 0.11 -1.95 -0.10 132.00 135.19 2jgg h PRO 217 Ca 0.20 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.05 2jgg h PRO 217 Cb 0.44 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.50 2jgg h PRO 217 CO -0.49 0.00 -1.64 0.43 -0.21 0.00 0.00 178.00 176.09 2jgg n SER 218 N -2.52 0.88 -0.13 -2.05 7.64 -0.42 -4.26 113.62 112.75 2jgg n SER 218 Ca -0.02 0.41 0.26 0.00 1.01 0.00 0.00 58.87 60.53 2jgg n SER 218 Cb 0.08 -0.03 0.71 0.00 -1.01 0.00 0.00 64.21 63.96 2jgg n SER 218 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jgg h ARG 219 N 0.00 0.02 -0.03 1.43 2.47 -0.84 0.16 114.38 117.58 2jgg h ARG 219 Ca -0.26 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 2jgg h ARG 219 Cb 1.92 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.24 2jgg h ARG 219 CO 0.07 0.01 0.00 -1.13 0.56 0.00 0.00 179.97 179.48 2jgg n SER 220 N -4.31 0.70 -0.52 7.04 3.41 -1.25 -3.82 113.62 114.88 2jgg n SER 220 Ca 0.16 -1.33 0.06 0.00 -0.26 0.00 0.00 58.87 57.51 2jgg n SER 220 Cb 0.86 -0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.85 2jgg n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgg n LEU 221 N -0.41 2.09 -3.75 1.04 4.77 0.55 -5.00 117.00 116.30 2jgg n LEU 221 Ca 0.20 -1.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.07 2jgg n LEU 221 Cb 0.21 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2jgg n LEU 221 CO 0.15 0.39 0.28 0.72 -1.33 0.00 0.00 177.39 177.60 2jgg s PHE 222 N -1.08 -0.11 0.00 -1.77 -0.71 -1.25 -4.90 117.98 108.17 2jgg s PHE 222 Ca 0.15 -0.24 0.00 0.00 -1.04 0.00 0.00 56.93 55.81 2jgg s PHE 222 Cb 0.11 0.40 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2jgg s PHE 222 CO 0.16 -0.93 0.00 0.72 -1.34 0.00 0.00 175.22 173.83 2jgg n HIS 223 N -0.35 0.00 -4.08 3.49 8.25 0.66 -4.93 115.22 118.27 2jgg n HIS 223 Ca -0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.29 2jgg n HIS 223 Cb 0.62 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.63 2jgg n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jgg s ARG 224 N -1.91 0.62 -0.03 -0.41 0.52 -1.13 -4.42 118.95 112.18 2jgg s ARG 224 Ca 0.00 -1.20 -0.03 0.00 -0.52 0.00 0.00 55.73 53.98 2jgg s ARG 224 Cb 0.00 0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.69 2jgg s ARG 224 CO 0.00 -0.12 0.09 0.00 0.02 0.00 0.00 175.30 175.29 2jgg s ALA 225 N -3.89 -0.22 -0.14 2.13 0.00 -1.01 -0.86 121.76 117.77 2jgg s ALA 225 Ca 0.07 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2jgg s ALA 225 Cb 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2jgg s ALA 225 CO -0.10 -0.05 -0.18 0.08 0.00 0.00 0.00 175.76 175.51 2jgg s VAL 226 N -0.01 1.82 -0.36 0.00 1.01 0.55 -1.22 120.40 122.20 2jgg s VAL 226 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2jgg s VAL 226 Cb -0.01 -1.64 0.09 0.00 0.00 0.00 0.00 36.38 34.82 2jgg s VAL 226 CO 0.00 0.50 0.09 -0.76 0.00 0.00 0.00 175.10 174.94 2jgg s LEU 227 N 1.06 4.71 -0.26 3.92 1.02 0.62 -2.37 118.68 127.39 2jgg s LEU 227 Ca -0.03 -1.88 -0.18 0.00 0.02 0.00 0.00 54.13 52.06 2jgg s LEU 227 Cb -0.14 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 2jgg s LEU 227 CO -0.05 -0.41 0.52 -1.10 0.02 0.00 0.00 176.35 175.32 2jgg s GLN 228 N 1.08 4.08 -1.60 1.70 -0.21 -0.43 -2.69 119.66 121.58 2jgg s GLN 228 Ca 0.05 0.34 -0.15 0.00 0.02 0.00 0.00 55.36 55.62 2jgg s GLN 228 Cb -0.21 -3.64 0.11 0.00 1.00 0.00 0.00 33.01 30.27 2jgg s GLN 228 CO -0.05 -0.34 0.86 0.43 -2.12 0.00 0.00 175.29 174.08 2jgg n SER 229 N 5.48 -3.83 -3.59 5.90 7.64 0.03 -4.19 113.62 121.06 2jgg n SER 229 Ca -0.04 -0.90 -0.05 0.00 1.01 0.00 0.00 58.87 58.90 2jgg n SER 229 Cb 0.50 -3.33 -0.02 0.00 -1.01 0.00 0.00 64.21 60.34 2jgg n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jgg s GLY 230 N -3.38 -0.30 0.04 0.23 0.00 -1.26 -4.81 107.32 97.85 2jgg s GLY 230 Ca 0.65 1.59 -0.19 0.00 0.00 0.00 0.00 44.72 46.77 2jgg s GLY 230 CO 0.88 0.54 0.44 -0.51 0.00 0.00 0.00 173.10 174.44 2jgg s THR 231 N -2.43 0.05 0.05 0.90 -4.23 -1.26 -4.37 115.64 104.34 2jgg s THR 231 Ca 0.09 -0.40 0.09 0.00 -1.18 0.00 0.00 61.69 60.30 2jgg s THR 231 Cb -0.01 -0.94 -0.15 0.00 1.34 0.00 0.00 72.50 72.74 2jgg s THR 231 CO -0.05 -0.22 1.29 1.55 -0.54 0.00 0.00 174.62 176.65 2jgg h PRO 232 N 3.00 0.00 -7.52 3.99 0.13 -1.84 -3.41 132.00 126.36 2jgg h PRO 232 Ca -0.31 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.37 2jgg h PRO 232 Cb 1.20 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.49 2jgg h PRO 232 CO 0.43 0.86 0.28 0.54 -0.23 0.00 0.00 178.00 179.87 2jgg s ASN 233 N -6.62 2.80 0.00 1.44 4.22 -1.26 -4.57 114.94 110.95 2jgg s ASN 233 Ca 0.01 0.79 0.00 0.00 -2.14 0.00 0.00 52.86 51.52 2jgg s ASN 233 Cb 0.09 -1.21 0.00 0.00 1.28 0.00 0.00 41.25 41.41 2jgg s ASN 233 CO 0.80 -2.97 0.00 0.61 -2.04 0.00 0.00 177.10 173.50 2jgg n GLY 234 N -2.11 1.38 0.15 0.45 0.00 -1.26 -4.73 105.19 99.07 2jgg n GLY 234 Ca 0.09 -2.12 0.15 0.00 0.00 0.00 0.00 46.02 44.14 2jgg n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jgg n PRO 235 N 0.25 1.10 0.00 1.61 -0.04 -1.26 -4.15 135.00 132.51 2jgg n PRO 235 Ca 0.00 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 2jgg n PRO 235 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2jgg n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jgg n TRP 236 N -0.68 0.00 0.55 0.54 4.27 -1.26 -4.83 117.44 116.02 2jgg n TRP 236 Ca 0.20 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.94 2jgg n TRP 236 Cb 0.21 0.00 0.45 0.00 -1.36 0.00 0.00 31.31 30.61 2jgg n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jgg n ALA 237 N -1.49 2.02 -2.32 -1.67 0.00 -1.26 -4.69 120.51 111.10 2jgg n ALA 237 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2jgg n ALA 237 Cb 0.21 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.14 2jgg n ALA 237 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jgg s THR 238 N -3.18 0.15 0.10 0.00 -4.23 -1.26 -3.74 115.64 103.48 2jgg s THR 238 Ca 0.08 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2jgg s THR 238 Cb 0.11 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 2jgg s THR 238 CO 0.50 -0.67 -0.10 0.68 -0.54 0.00 0.00 174.62 174.49 2jgg s VAL 239 N -3.94 0.95 0.93 2.29 -7.23 -0.65 -4.98 120.40 107.77 2jgg s VAL 239 Ca 0.12 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 2jgg s VAL 239 Cb 0.06 -1.37 0.15 0.00 0.56 0.00 0.00 36.38 35.78 2jgg s VAL 239 CO -0.06 -0.56 1.09 -0.94 -0.31 0.00 0.00 175.10 174.32 2jgg s SER 240 N -2.46 3.04 0.31 4.85 1.04 -1.26 -1.51 113.70 117.71 2jgg s SER 240 Ca 0.06 1.65 0.02 0.00 0.48 0.00 0.00 55.95 58.16 2jgg s SER 240 Cb -0.03 -2.29 0.52 0.00 0.10 0.00 0.00 66.02 64.32 2jgg s SER 240 CO -0.00 -2.93 1.85 0.00 0.98 0.00 0.00 173.24 173.14 2jgg h ALA 241 N -1.75 1.30 -0.24 5.32 0.00 -1.96 -0.78 119.26 121.15 2jgg h ALA 241 Ca -0.50 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 2jgg h ALA 241 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2jgg h ALA 241 CO 0.51 0.48 -0.09 0.78 0.00 0.00 0.00 179.25 180.93 2jgg h GLY 242 N 0.89 0.52 1.34 0.00 0.00 -1.93 -0.46 103.07 103.43 2jgg h GLY 242 Ca 0.13 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 2jgg h GLY 242 CO 0.01 0.41 -0.25 -2.09 0.00 0.00 0.00 176.54 174.62 2jgg h GLU 243 N 0.21 0.75 -0.81 4.80 4.57 -1.90 -0.48 114.58 121.73 2jgg h GLU 243 Ca 0.06 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 2jgg h GLU 243 Cb 0.57 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 2jgg h GLU 243 CO 0.03 0.92 0.45 0.00 -1.18 0.00 0.00 179.01 179.23 2jgg h ALA 244 N 1.07 1.27 -0.10 2.92 0.00 -0.96 -0.94 119.26 122.52 2jgg h ALA 244 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jgg h ALA 244 Cb 0.76 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jgg h ALA 244 CO 0.06 0.60 0.01 -0.09 0.00 0.00 0.00 179.25 179.83 2jgg h ARG 245 N 1.13 0.17 -0.61 0.00 2.43 -0.60 -1.01 114.38 115.89 2jgg h ARG 245 Ca 0.29 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 2jgg h ARG 245 Cb 0.01 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2jgg h ARG 245 CO -0.05 0.38 0.31 -0.09 -1.51 0.00 0.00 179.97 179.01 2jgg h ARG 246 N -0.07 0.56 -0.26 0.20 2.43 -0.79 -0.58 114.38 115.86 2jgg h ARG 246 Ca 0.03 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2jgg h ARG 246 Cb 0.29 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2jgg h ARG 246 CO 0.00 0.37 -0.25 0.00 -1.51 0.00 0.00 179.97 178.58 2jgg h ARG 247 N 0.57 0.63 -0.42 0.20 3.08 -1.06 -1.99 114.38 115.40 2jgg h ARG 247 Ca 0.28 -0.33 0.06 0.00 0.07 0.00 0.00 59.98 60.06 2jgg h ARG 247 Cb 0.21 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2jgg h ARG 247 CO -0.20 0.93 0.10 0.00 -1.07 0.00 0.00 179.97 179.73 2jgg h ALA 248 N 0.69 0.47 -0.25 0.04 0.00 -0.77 -0.45 119.26 119.00 2jgg h ALA 248 Ca 0.04 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2jgg h ALA 248 Cb 0.80 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jgg h ALA 248 CO 0.06 -0.30 -0.29 0.00 0.00 0.00 0.00 179.25 178.73 2jgg h THR 249 N 0.24 1.31 -0.40 0.00 1.03 -1.11 -1.53 112.91 112.46 2jgg h THR 249 Ca 0.20 -1.47 0.06 0.00 -0.01 0.00 0.00 66.41 65.19 2jgg h THR 249 Cb 0.23 1.69 -0.05 0.00 -1.07 0.00 0.00 68.15 68.95 2jgg h THR 249 CO -0.25 0.46 0.09 0.25 -0.01 0.00 0.00 175.52 176.06 2jgg h LEU 250 N 0.34 0.02 -0.77 0.00 5.85 -1.17 0.67 115.31 120.25 2jgg h LEU 250 Ca 0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2jgg h LEU 250 Cb 0.86 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 2jgg h LEU 250 CO 0.07 0.05 0.45 0.25 -0.34 0.00 0.00 178.44 178.92 2jgg h LEU 251 N 0.22 0.93 -0.26 2.25 6.46 -1.03 0.04 115.31 123.92 2jgg h LEU 251 Ca 0.19 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.94 2jgg h LEU 251 Cb 0.23 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 2jgg h LEU 251 CO -0.25 0.74 -0.18 0.00 -0.62 0.00 0.00 178.44 178.13 2jgg h ALA 252 N 1.24 0.00 -0.37 1.25 0.00 -0.53 -1.88 119.26 118.97 2jgg h ALA 252 Ca 0.27 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.35 2jgg h ALA 252 Cb -0.02 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2jgg h ALA 252 CO -0.05 -0.59 -0.06 0.00 0.00 0.00 0.00 179.25 178.55 2jgg h ARG 253 N -0.16 0.03 -0.01 0.00 3.08 -0.18 0.18 114.38 117.33 2jgg h ARG 253 Ca 0.14 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2jgg h ARG 253 Cb 0.38 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2jgg h ARG 253 CO -0.36 0.02 0.03 -0.07 -1.07 0.00 0.00 179.97 178.52 2jgg h LEU 254 N 0.04 0.00 -2.41 3.04 3.38 -0.25 0.43 115.31 119.53 2jgg h LEU 254 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2jgg h LEU 254 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jgg h LEU 254 CO -0.35 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.51 2jgg n VAL 255 N -3.32 0.66 -1.42 1.22 0.24 -0.81 -5.02 118.33 109.87 2jgg n VAL 255 Ca -0.03 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 2jgg n VAL 255 Cb 0.11 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 2jgg n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jgg n GLY 256 N 0.74 0.16 3.52 7.63 0.00 0.15 -5.07 105.19 112.31 2jgg n GLY 256 Ca 0.12 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2jgg n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgg n ASN 265 N -1.60 0.00 0.02 0.00 2.85 -1.26 -4.77 115.26 110.50 2jgg n ASN 265 Ca -0.00 0.19 -0.13 0.00 -0.11 0.00 0.00 54.58 54.53 2jgg n ASN 265 Cb 0.61 -0.38 -0.09 0.00 1.24 0.00 0.00 39.78 41.15 2jgg n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2jgg h ASP 266 N 0.44 -0.07 -0.96 1.20 3.32 -2.01 -3.12 116.42 115.22 2jgg h ASP 266 Ca 0.00 -0.42 0.19 0.00 0.02 0.00 0.00 57.03 56.82 2jgg h ASP 266 Cb 0.00 0.02 -0.18 0.00 0.22 0.00 0.00 39.33 39.39 2jgg h ASP 266 CO 0.00 0.40 -0.25 0.41 -1.72 0.00 0.00 179.24 178.08 2jgg n THR 267 N -4.91 -0.41 -0.06 0.35 -1.04 -1.26 -1.20 114.28 105.76 2jgg n THR 267 Ca -0.08 2.19 -0.13 0.00 -2.04 0.00 0.00 64.05 63.99 2jgg n THR 267 Cb 0.25 -3.03 -0.07 0.00 -1.82 0.00 0.00 70.33 65.67 2jgg n THR 267 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2jgg h GLU 268 N 0.00 0.35 0.02 -2.82 5.08 -1.98 0.62 114.58 115.84 2jgg h GLU 268 Ca 0.45 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2jgg h GLU 268 Cb 0.69 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 2jgg h GLU 268 CO -0.98 0.68 -0.32 1.25 -1.00 0.00 0.00 179.01 178.63 2jgg h LEU 269 N 0.01 -0.97 -0.81 1.33 6.46 -1.36 0.15 115.31 120.12 2jgg h LEU 269 Ca 0.03 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2jgg h LEU 269 Cb 0.59 0.38 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 2jgg h LEU 269 CO 0.03 -0.39 0.44 0.40 -0.62 0.00 0.00 178.44 178.30 2jgg h ILE 270 N -0.49 1.24 -0.10 4.05 2.04 -1.11 0.07 117.51 123.22 2jgg h ILE 270 Ca 0.05 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2jgg h ILE 270 Cb 0.57 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2jgg h ILE 270 CO -0.25 0.27 0.02 0.00 0.00 0.00 0.00 178.15 178.19 2jgg h ALA 271 N 1.23 0.10 0.20 1.87 0.00 -0.58 0.14 119.26 122.22 2jgg h ALA 271 Ca 0.29 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2jgg h ALA 271 Cb 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2jgg h ALA 271 CO -0.05 -0.44 -0.41 0.00 0.00 0.00 0.00 179.25 178.35 2jgg h LEU 273 N -0.70 0.39 -0.16 0.00 3.38 -0.53 0.18 115.31 117.87 2jgg h LEU 273 Ca 0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jgg h LEU 273 Cb 0.69 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2jgg h LEU 273 CO -0.19 0.01 0.00 0.54 0.09 0.00 0.00 178.44 178.89 2jgg n ARG 274 N -4.65 0.13 0.04 1.13 1.74 0.44 -2.26 116.66 113.23 2jgg n ARG 274 Ca 0.29 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.70 2jgg n ARG 274 Cb 1.03 -1.69 0.14 0.00 -1.02 0.00 0.00 32.46 30.91 2jgg n ARG 274 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2jgg n THR 275 N -1.93 0.25 -2.42 0.55 -2.24 0.62 -4.91 114.28 104.20 2jgg n THR 275 Ca 0.05 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.23 2jgg n THR 275 Cb 0.32 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 2jgg n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jgg s ARG 276 N -3.15 4.02 0.45 -0.78 1.81 -0.96 -5.01 118.95 115.33 2jgg s ARG 276 Ca 0.06 1.64 -0.23 0.00 -1.72 0.00 0.00 55.73 55.48 2jgg s ARG 276 Cb 0.14 -2.52 -0.08 0.00 -0.45 0.00 0.00 34.95 32.05 2jgg s ARG 276 CO 0.74 -0.29 1.12 -2.14 -0.68 0.00 0.00 175.30 174.05 2jgg s PRO 277 N -2.53 3.83 0.20 3.54 0.02 -1.26 -4.93 135.00 133.86 2jgg s PRO 277 Ca 0.59 1.65 -0.13 0.00 0.02 0.00 0.00 61.00 63.13 2jgg s PRO 277 Cb -0.25 -2.38 0.22 0.00 0.02 0.00 0.00 34.50 32.11 2jgg s PRO 277 CO 0.31 -0.46 1.65 0.00 -0.33 0.00 0.00 177.00 178.17 2jgg h ALA 278 N 2.04 0.44 -0.01 -1.55 0.00 -1.96 -1.67 119.26 116.56 2jgg h ALA 278 Ca -0.49 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jgg h ALA 278 Cb 1.24 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2jgg h ALA 278 CO 0.60 -0.42 0.01 0.37 0.00 0.00 0.00 179.25 179.81 2jgg h GLN 279 N 0.05 0.00 -0.47 0.00 5.75 -2.00 -0.66 115.11 117.78 2jgg h GLN 279 Ca 0.28 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.71 2jgg h GLN 279 Cb 0.43 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2jgg h GLN 279 CO -0.53 0.00 0.04 -0.44 -2.65 0.00 0.00 178.83 175.25 2jgg h ASP 280 N 0.00 0.77 -0.25 -0.69 5.19 -1.68 -1.52 116.42 118.24 2jgg h ASP 280 Ca 0.00 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.11 2jgg h ASP 280 Cb 0.01 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 2jgg h ASP 280 CO -0.00 0.86 0.07 -0.07 -3.12 0.00 0.00 179.24 176.98 2jgg h LEU 281 N 0.66 0.37 -0.55 1.55 3.38 -1.12 -2.82 115.31 116.78 2jgg h LEU 281 Ca 0.14 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2jgg h LEU 281 Cb 0.44 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2jgg h LEU 281 CO 0.02 0.49 0.28 0.58 0.09 0.00 0.00 178.44 179.90 2jgg h VAL 282 N 0.24 0.95 0.00 1.22 2.07 -1.44 -1.73 116.25 117.55 2jgg h VAL 282 Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2jgg h VAL 282 Cb 0.25 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2jgg h VAL 282 CO -0.00 0.10 0.18 0.44 0.02 0.00 0.00 177.57 178.30 2jgg h ASP 283 N 0.54 0.00 0.00 0.57 3.32 -1.01 -2.52 116.42 117.32 2jgg h ASP 283 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2jgg h ASP 283 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2jgg h ASP 283 CO -0.17 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.76 2jgg n HIS 284 N -2.69 0.00 0.32 4.55 8.25 -0.72 -4.76 115.22 120.16 2jgg n HIS 284 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 2jgg n HIS 284 Cb 0.22 0.00 0.65 0.00 1.12 0.00 0.00 29.99 31.98 2jgg n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jgg h GLU 285 N 0.00 0.00 -0.01 -0.41 4.11 -0.91 -1.73 114.58 115.63 2jgg h GLU 285 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jgg h GLU 285 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jgg h GLU 285 CO 0.00 0.00 -0.25 0.91 0.07 0.00 0.00 179.01 179.74 2jgg n TRP 286 N -2.57 0.00 1.23 2.06 7.02 -1.26 -4.10 117.44 119.82 2jgg n TRP 286 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.62 2jgg n TRP 286 Cb 0.20 -0.08 0.50 0.00 -2.42 0.00 0.00 31.31 29.50 2jgg n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2jgg n HIS 287 N -0.38 0.00 0.78 -5.99 8.25 -0.65 -4.12 115.22 113.11 2jgg n HIS 287 Ca 0.13 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.70 2jgg n HIS 287 Cb 0.37 -0.23 0.26 0.00 1.12 0.00 0.00 29.99 31.51 2jgg n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2jgg n VAL 288 N -1.10 0.29 -2.64 1.59 0.24 -1.26 -4.96 118.33 110.48 2jgg n VAL 288 Ca 0.11 -0.56 -0.40 0.00 -2.04 0.00 0.00 64.34 61.45 2jgg n VAL 288 Cb 0.31 0.90 -0.05 0.00 -1.47 0.00 0.00 33.84 33.53 2jgg n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jgg s LEU 289 N -1.65 4.57 0.40 1.34 1.43 -1.26 -4.81 118.68 118.70 2jgg s LEU 289 Ca 0.35 2.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.54 2jgg s LEU 289 Cb 0.21 -3.61 0.83 0.00 0.03 0.00 0.00 46.19 43.65 2jgg s LEU 289 CO 0.30 -0.03 1.98 1.55 0.23 0.00 0.00 176.35 180.39 2jgg h PRO 290 N 4.58 0.37 -4.36 1.29 0.13 -1.97 -3.44 132.00 128.60 2jgg h PRO 290 Ca -0.45 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 2jgg h PRO 290 Cb 1.21 -0.07 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 2jgg h PRO 290 CO 0.69 0.36 -0.70 -0.65 -0.23 0.00 0.00 178.00 177.48 2jgg s GLN 291 N -5.08 0.58 -0.02 0.86 1.11 -1.26 -5.10 119.66 110.75 2jgg s GLN 291 Ca -0.07 -1.01 -0.34 0.00 0.01 0.00 0.00 55.36 53.95 2jgg s GLN 291 Cb 0.16 -0.03 -0.12 0.00 -1.01 0.00 0.00 33.01 32.01 2jgg s GLN 291 CO 0.73 -0.04 1.81 -1.91 0.01 0.00 0.00 175.29 175.90 2jgg n GLU 292 N 0.69 2.21 -3.91 2.91 2.13 -1.26 -4.92 120.64 118.49 2jgg n GLU 292 Ca -0.18 0.81 -0.09 0.00 0.66 0.00 0.00 57.16 58.36 2jgg n GLU 292 Cb 0.58 -2.64 -0.06 0.00 0.27 0.00 0.00 31.44 29.59 2jgg n GLU 292 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2jgg s SER 293 N 3.33 -0.06 0.16 4.31 1.04 -1.26 -4.58 113.70 116.64 2jgg s SER 293 Ca 0.89 -0.79 0.07 0.00 0.48 0.00 0.00 55.95 56.60 2jgg s SER 293 Cb -0.67 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 2jgg s SER 293 CO 0.48 -0.98 -0.14 0.27 0.98 0.00 0.00 173.24 173.84 2jgg s ILE 294 N -3.96 1.51 -1.62 -1.02 -4.36 -1.05 -4.82 121.20 105.89 2jgg s ILE 294 Ca 0.16 -1.96 -0.03 0.00 -0.26 0.00 0.00 60.65 58.57 2jgg s ILE 294 Cb 0.01 -1.79 0.01 0.00 1.25 0.00 0.00 42.46 41.94 2jgg s ILE 294 CO 0.01 -0.51 0.32 0.33 0.24 0.00 0.00 174.94 175.33 2jgg n PHE 295 N 0.09 -1.54 -4.67 1.37 -0.00 -1.26 -4.82 117.46 106.63 2jgg n PHE 295 Ca -0.12 0.28 -0.24 0.00 -0.00 0.00 0.00 57.45 57.37 2jgg n PHE 295 Cb 0.59 -4.12 -0.16 0.00 -0.00 0.00 0.00 39.48 35.79 2jgg n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2jgg s ARG 296 N -5.41 1.39 -0.00 -4.13 1.81 -1.26 -4.73 118.95 106.62 2jgg s ARG 296 Ca 0.17 -0.50 0.05 0.00 -1.72 0.00 0.00 55.73 53.72 2jgg s ARG 296 Cb -0.07 -1.26 -0.01 0.00 -0.45 0.00 0.00 34.95 33.15 2jgg s ARG 296 CO 0.21 0.23 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.84 2jgg s PHE 297 N -0.02 1.37 0.10 -0.53 0.08 -1.26 -5.05 117.98 112.66 2jgg s PHE 297 Ca -0.01 -0.28 -0.18 0.00 0.12 0.00 0.00 56.93 56.58 2jgg s PHE 297 Cb -0.09 -0.87 -0.07 0.00 -0.57 0.00 0.00 43.02 41.43 2jgg s PHE 297 CO 0.01 -0.01 1.57 0.77 -0.10 0.00 0.00 175.22 177.46 2jgg h SER 298 N 5.59 0.45 -3.60 1.36 0.02 -1.88 -3.40 113.55 112.08 2jgg h SER 298 Ca -0.36 -0.26 -0.63 0.00 -0.84 0.00 0.00 61.79 59.70 2jgg h SER 298 Cb 1.16 -0.12 -0.37 0.00 0.14 0.00 0.00 62.40 63.21 2jgg h SER 298 CO 0.48 0.60 -0.80 -0.36 -1.14 0.00 0.00 176.83 175.60 2jgg s PHE 299 N -5.16 2.62 0.31 3.45 0.08 -1.26 -5.02 117.98 113.00 2jgg s PHE 299 Ca -0.13 -1.83 0.03 0.00 0.12 0.00 0.00 56.93 55.12 2jgg s PHE 299 Cb 0.08 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.79 2jgg s PHE 299 CO 0.74 -0.79 0.11 0.14 -0.10 0.00 0.00 175.22 175.33 2jgg s VAL 300 N 1.32 0.64 0.19 -0.44 -7.23 -1.26 -4.52 120.40 109.11 2jgg s VAL 300 Ca -0.05 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.80 2jgg s VAL 300 Cb -0.18 -2.59 -0.15 0.00 0.56 0.00 0.00 36.38 34.01 2jgg s VAL 300 CO -0.07 0.00 1.20 -2.65 -0.31 0.00 0.00 175.10 173.27 2jgg n PRO 301 N -0.62 1.31 -3.81 4.82 -0.02 -1.24 -4.73 135.00 130.71 2jgg n PRO 301 Ca -0.01 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.57 2jgg n PRO 301 Cb 0.66 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 2jgg n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jgg s VAL 302 N -0.18 5.41 -0.95 -1.45 0.11 -1.26 -1.63 120.40 120.44 2jgg s VAL 302 Ca 0.72 0.24 -0.24 0.00 -2.93 0.00 0.00 61.98 59.77 2jgg s VAL 302 Cb -0.82 -3.48 -0.06 0.00 -1.53 0.00 0.00 36.38 30.49 2jgg s VAL 302 CO 0.52 0.54 1.96 -0.69 -3.33 0.00 0.00 175.10 174.09 2jgg s VAL 303 N -1.12 3.45 -1.47 2.04 1.01 -0.57 -4.65 120.40 119.10 2jgg s VAL 303 Ca 0.20 -0.46 0.26 0.00 0.00 0.00 0.00 61.98 61.97 2jgg s VAL 303 Cb -0.13 -4.08 0.14 0.00 0.00 0.00 0.00 36.38 32.31 2jgg s VAL 303 CO 0.09 -0.93 1.47 -0.90 0.00 0.00 0.00 175.10 174.83 2jgg n ASP 304 N 14.20 0.88 -0.24 3.32 5.75 -1.24 -4.03 116.55 135.19 2jgg n ASP 304 Ca 0.41 -0.69 -0.03 0.00 -0.01 0.00 0.00 54.79 54.47 2jgg n ASP 304 Cb 0.47 0.22 -0.01 0.00 -1.03 0.00 0.00 41.12 40.77 2jgg n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jgg n GLY 305 N 1.41 0.54 0.00 6.12 0.00 0.20 -4.86 105.19 108.59 2jgg n GLY 305 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jgg n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jgg n ASP 306 N -0.25 0.00 -0.05 1.61 2.03 -1.26 -4.63 116.55 114.00 2jgg n ASP 306 Ca -0.03 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.20 2jgg n ASP 306 Cb 0.28 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.66 2jgg n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jgg h PHE 307 N 0.00 -0.59 -3.58 -0.67 3.04 -1.93 -3.32 116.94 109.89 2jgg h PHE 307 Ca 0.00 0.04 -0.71 0.00 3.98 0.00 0.00 57.97 61.28 2jgg h PHE 307 Cb 0.00 0.30 -0.24 0.00 2.56 0.00 0.00 35.95 38.57 2jgg h PHE 307 CO 0.00 -0.30 -0.51 -0.51 -2.02 0.00 0.00 178.31 174.97 2jgg s LEU 308 N -10.51 4.73 0.25 0.59 1.43 -1.26 -4.55 118.68 109.37 2jgg s LEU 308 Ca -0.15 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 52.00 2jgg s LEU 308 Cb 0.12 -2.04 0.31 0.00 0.03 0.00 0.00 46.19 44.62 2jgg s LEU 308 CO 0.68 -0.38 1.64 0.77 0.23 0.00 0.00 176.35 179.28 2jgg h SER 309 N 8.45 0.44 -4.12 2.29 4.64 -1.82 0.59 113.55 124.01 2jgg h SER 309 Ca -0.26 -0.19 -0.35 0.00 -0.47 0.00 0.00 61.79 60.52 2jgg h SER 309 Cb 1.11 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.98 2jgg h SER 309 CO 0.67 0.81 -0.32 -0.67 -0.87 0.00 0.00 176.83 176.44 2jgg n ASP 310 N -4.02 -0.65 -4.74 4.97 -0.08 -1.26 -4.35 116.55 106.42 2jgg n ASP 310 Ca -0.02 -2.69 -0.37 0.00 -1.51 0.00 0.00 54.79 50.20 2jgg n ASP 310 Cb 0.50 1.45 0.06 0.00 2.34 0.00 0.00 41.12 45.47 2jgg n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jgg s THR 311 N -3.01 2.13 0.23 5.18 -4.23 -1.26 -4.81 115.64 109.87 2jgg s THR 311 Ca 0.30 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 2jgg s THR 311 Cb 0.01 -3.03 0.19 0.00 1.34 0.00 0.00 72.50 71.01 2jgg s THR 311 CO 0.21 -0.02 1.81 -0.65 -0.54 0.00 0.00 174.62 175.44 2jgg h PRO 312 N 0.64 0.75 -0.75 3.99 0.11 -1.98 -1.28 132.00 133.48 2jgg h PRO 312 Ca -0.51 -0.05 0.17 0.00 0.11 0.00 0.00 66.00 65.72 2jgg h PRO 312 Cb 1.33 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 2jgg h PRO 312 CO 0.54 0.50 0.17 1.49 -0.21 0.00 0.00 178.00 180.48 2jgg h GLU 313 N 0.77 0.24 -0.32 1.05 4.81 -1.91 -1.65 114.58 117.58 2jgg h GLU 313 Ca 0.36 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.40 2jgg h GLU 313 Cb 0.28 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2jgg h GLU 313 CO -0.22 0.16 -0.50 0.00 -0.73 0.00 0.00 179.01 177.72 2jgg h ALA 314 N 1.63 0.50 -0.05 2.92 0.00 -1.63 -2.79 119.26 119.85 2jgg h ALA 314 Ca 0.43 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2jgg h ALA 314 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jgg h ALA 314 CO -0.54 0.68 -0.72 -0.07 0.00 0.00 0.00 179.25 178.60 2jgg h LEU 315 N 0.70 0.35 -0.19 0.00 3.38 -0.82 -2.96 115.31 115.77 2jgg h LEU 315 Ca 0.03 -0.24 -0.22 0.00 0.09 0.00 0.00 57.88 57.54 2jgg h LEU 315 Cb 1.11 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.76 2jgg h LEU 315 CO 0.11 0.96 -0.83 0.16 0.09 0.00 0.00 178.44 178.94 2jgg h ILE 316 N 0.20 1.31 -0.24 1.22 3.07 -1.37 -3.10 117.51 118.60 2jgg h ILE 316 Ca -0.03 -2.09 0.04 0.00 1.55 0.00 0.00 64.86 64.33 2jgg h ILE 316 Cb 1.29 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 39.93 2jgg h ILE 316 CO 0.12 0.65 0.16 0.78 -1.05 0.00 0.00 178.15 178.81 2jgg h ASN 317 N 0.43 0.13 -1.60 2.16 2.35 -1.42 -3.27 115.58 114.36 2jgg h ASN 317 Ca -0.06 -0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.23 2jgg h ASN 317 Cb 1.45 -0.03 -0.40 0.00 0.05 0.00 0.00 38.32 39.38 2jgg h ASN 317 CO 0.16 0.09 -1.10 0.35 -1.65 0.00 0.00 177.43 175.27 2jgg n THR 318 N -4.49 0.83 -4.28 2.81 -2.24 -1.12 -5.08 114.28 100.70 2jgg n THR 318 Ca 0.02 -4.12 -0.16 0.00 -2.27 0.00 0.00 64.05 57.52 2jgg n THR 318 Cb 0.21 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.24 2jgg n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jgg s GLY 319 N -2.90 1.19 -0.36 3.38 0.00 -1.17 -4.91 107.32 102.55 2jgg s GLY 319 Ca 0.37 -1.54 -0.11 0.00 0.00 0.00 0.00 44.72 43.43 2jgg s GLY 319 CO -0.05 -1.64 0.20 -0.35 0.00 0.00 0.00 173.10 171.26 2jgg s ASP 320 N -3.20 5.72 -0.22 1.64 2.15 -1.26 -4.85 116.67 116.65 2jgg s ASP 320 Ca 0.18 -0.83 0.12 0.00 0.43 0.00 0.00 52.55 52.46 2jgg s ASP 320 Cb 0.01 -2.03 0.43 0.00 -0.30 0.00 0.00 42.92 41.03 2jgg s ASP 320 CO 0.03 -0.33 1.30 0.49 -0.17 0.00 0.00 175.17 176.49 2jgg n PHE 321 N 5.01 0.41 -0.27 -5.34 3.72 -0.16 -4.80 117.46 116.02 2jgg n PHE 321 Ca -0.12 -1.39 -0.07 0.00 -0.05 0.00 0.00 57.45 55.81 2jgg n PHE 321 Cb 0.47 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 2jgg n PHE 321 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2jgg n GLN 322 N -1.13 -0.28 0.25 -1.08 -0.06 -1.23 -1.53 117.38 112.32 2jgg n GLN 322 Ca 0.23 0.98 0.13 0.00 -2.00 0.00 0.00 57.00 56.33 2jgg n GLN 322 Cb 0.80 -1.43 0.59 0.00 -4.06 0.00 0.00 30.24 26.14 2jgg n GLN 322 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2jgg h ASP 323 N 0.00 0.00 -3.36 1.69 -0.00 -1.87 -3.42 116.42 109.45 2jgg h ASP 323 Ca 0.10 0.00 -0.54 0.00 -0.00 0.00 0.00 57.03 56.59 2jgg h ASP 323 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.57 2jgg h ASP 323 CO -0.60 0.14 0.42 -0.22 -0.00 0.00 0.00 179.24 178.98 2jgg s LEU 324 N -6.68 4.35 -0.10 2.28 2.96 -0.58 -4.95 118.68 115.96 2jgg s LEU 324 Ca -0.00 1.66 -0.01 0.00 -0.22 0.00 0.00 54.13 55.56 2jgg s LEU 324 Cb 0.10 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 2jgg s LEU 324 CO 0.59 -0.31 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.17 2jgg s GLN 325 N 1.22 3.06 -0.09 1.98 1.11 -1.26 -0.59 119.66 125.08 2jgg s GLN 325 Ca 0.52 -0.49 -0.06 0.00 0.01 0.00 0.00 55.36 55.34 2jgg s GLN 325 Cb -0.21 -2.74 0.04 0.00 -1.01 0.00 0.00 33.01 29.09 2jgg s GLN 325 CO 0.26 0.58 0.23 0.54 0.01 0.00 0.00 175.29 176.90 2jgg s VAL 326 N -0.55 -0.03 -0.18 1.09 0.11 0.08 -2.41 120.40 118.51 2jgg s VAL 326 Ca 0.09 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 2jgg s VAL 326 Cb -0.12 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2jgg s VAL 326 CO 0.02 0.04 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.56 2jgg s LEU 327 N 0.86 3.04 0.06 2.54 2.96 -0.35 -0.25 118.68 127.53 2jgg s LEU 327 Ca -0.06 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2jgg s LEU 327 Cb -0.07 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 2jgg s LEU 327 CO -0.05 0.09 -0.09 0.68 -1.32 0.00 0.00 176.35 175.66 2jgg s VAL 328 N 0.83 0.67 0.02 1.68 -7.23 -0.00 -0.28 120.40 116.10 2jgg s VAL 328 Ca -0.01 -1.23 -0.27 0.00 -1.81 0.00 0.00 61.98 58.65 2jgg s VAL 328 Cb -0.15 -0.83 0.09 0.00 0.56 0.00 0.00 36.38 36.06 2jgg s VAL 328 CO 0.01 -0.41 1.24 -0.83 -0.31 0.00 0.00 175.10 174.81 2jgg s GLY 329 N -1.79 -0.10 0.10 2.32 0.00 -1.10 -1.77 107.32 104.97 2jgg s GLY 329 Ca -0.06 0.02 -0.00 0.00 0.00 0.00 0.00 44.72 44.68 2jgg s GLY 329 CO 0.00 4.71 -0.01 -1.34 0.00 0.00 0.00 173.10 176.47 2jgg s VAL 330 N -2.08 0.34 0.64 1.40 -7.23 -0.80 -0.79 120.40 111.89 2jgg s VAL 330 Ca 0.27 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 2jgg s VAL 330 Cb -0.00 -1.81 0.05 0.00 0.56 0.00 0.00 36.38 35.18 2jgg s VAL 330 CO 0.00 -0.73 0.92 0.68 -0.31 0.00 0.00 175.10 175.66 2jgg s VAL 331 N -3.86 2.50 0.12 1.32 -7.23 -1.26 0.27 120.40 112.25 2jgg s VAL 331 Ca 0.16 -0.39 -0.16 0.00 -1.81 0.00 0.00 61.98 59.78 2jgg s VAL 331 Cb 0.07 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 2jgg s VAL 331 CO -0.03 -0.03 1.58 0.50 -0.31 0.00 0.00 175.10 176.81 2jgg h LYS 332 N -0.34 0.62 -2.84 4.82 3.64 -1.01 -3.37 116.57 118.09 2jgg h LYS 332 Ca -0.44 -0.18 -0.64 0.00 -1.27 0.00 0.00 60.65 58.13 2jgg h LYS 332 Cb 1.31 -0.07 -0.40 0.00 -0.41 0.00 0.00 32.23 32.66 2jgg h LYS 332 CO 0.58 0.70 -0.43 -0.25 -2.27 0.00 0.00 179.45 177.78 2jgg n ASP 333 N -4.53 3.63 -0.03 4.20 9.92 -0.42 -4.92 116.55 124.40 2jgg n ASP 333 Ca -0.01 -3.28 -0.00 0.00 -0.53 0.00 0.00 54.79 50.96 2jgg n ASP 333 Cb 0.25 -0.81 0.28 0.00 -0.64 0.00 0.00 41.12 40.20 2jgg n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jgg h GLU 334 N 5.11 0.59 0.00 -1.24 4.39 -1.78 -3.21 114.58 118.44 2jgg h GLU 334 Ca 0.17 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.58 2jgg h GLU 334 Cb 0.73 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2jgg h GLU 334 CO 0.81 0.58 -1.04 0.78 -1.16 0.00 0.00 179.01 178.98 2jgg h GLY 335 N 0.84 0.00 0.58 -3.84 0.00 -1.86 -3.40 103.07 95.40 2jgg h GLY 335 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.52 2jgg h GLY 335 CO 0.00 0.00 0.26 1.48 0.00 0.00 0.00 176.54 178.28 2jgg h SER 336 N 0.00 0.33 -0.90 0.19 4.64 -1.79 -2.17 113.55 113.86 2jgg h SER 336 Ca -0.09 0.05 0.17 0.00 -0.47 0.00 0.00 61.79 61.45 2jgg h SER 336 Cb 1.61 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.59 2jgg h SER 336 CO 0.08 0.22 0.48 0.22 -0.87 0.00 0.00 176.83 176.95 2jgg h TYR 337 N 0.48 0.83 0.00 4.77 3.20 -1.80 -2.02 116.97 122.44 2jgg h TYR 337 Ca 0.27 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.17 2jgg h TYR 337 Cb 0.24 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2jgg h TYR 337 CO -0.13 0.16 0.00 0.74 -1.64 0.00 0.00 178.16 177.30 2jgg h PHE 338 N 0.63 0.00 0.00 -3.82 -1.00 -1.66 -3.27 116.94 107.82 2jgg h PHE 338 Ca 0.51 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 61.18 2jgg h PHE 338 Cb 0.78 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.33 2jgg h PHE 338 CO -0.08 0.00 -0.51 -0.07 -1.61 0.00 0.00 178.31 176.05 2jgg h LEU 339 N 0.00 0.00 0.00 1.54 3.38 -1.36 -2.04 115.31 116.84 2jgg h LEU 339 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jgg h LEU 339 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2jgg h LEU 339 CO 0.00 0.51 0.00 1.33 0.09 0.00 0.00 178.44 180.37 2jgg n VAL 340 N -3.88 0.09 -1.14 1.22 0.24 -1.23 -2.34 118.33 111.27 2jgg n VAL 340 Ca -0.01 0.02 -0.17 0.00 -2.04 0.00 0.00 64.34 62.14 2jgg n VAL 340 Cb 0.53 -0.58 0.23 0.00 -1.47 0.00 0.00 33.84 32.54 2jgg n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jgg n TYR 341 N -1.17 2.84 0.00 6.34 4.02 -0.77 -4.74 117.16 123.69 2jgg n TYR 341 Ca 0.16 -1.59 0.00 0.00 -0.01 0.00 0.00 57.90 56.46 2jgg n TYR 341 Cb 0.16 -0.85 0.00 0.00 -0.02 0.00 0.00 39.34 38.64 2jgg n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jgg n GLY 342 N -0.74 0.80 3.41 2.72 0.00 -1.22 -4.90 105.19 105.25 2jgg n GLY 342 Ca 0.52 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 2jgg n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgg s VAL 343 N -0.80 4.43 0.25 1.61 1.01 -0.99 -4.93 120.40 120.98 2jgg s VAL 343 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2jgg s VAL 343 Cb 0.00 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 2jgg s VAL 343 CO 0.00 0.06 1.56 -2.84 0.00 0.00 0.00 175.10 173.88 2jgg s PRO 344 N 1.58 4.18 0.00 2.72 0.02 -1.26 -2.48 135.00 139.75 2jgg s PRO 344 Ca 0.04 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2jgg s PRO 344 Cb -0.17 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2jgg s PRO 344 CO 0.05 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 2jgg n GLY 345 N 2.59 0.67 3.88 0.52 0.00 -1.26 -4.90 105.19 106.69 2jgg n GLY 345 Ca 0.09 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2jgg n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jgg s PHE 346 N -0.90 3.58 0.06 1.61 0.40 -1.04 -4.57 117.98 117.13 2jgg s PHE 346 Ca 0.00 0.68 -0.26 0.00 -0.60 0.00 0.00 56.93 56.75 2jgg s PHE 346 Cb 0.00 -2.08 0.08 0.00 0.51 0.00 0.00 43.02 41.53 2jgg s PHE 346 CO 0.00 0.56 0.71 0.45 0.70 0.00 0.00 175.22 177.65 2jgg s SER 347 N -1.74 -0.52 0.32 1.36 0.15 -1.26 -4.75 113.70 107.25 2jgg s SER 347 Ca 0.30 0.15 0.25 0.00 0.70 0.00 0.00 55.95 57.36 2jgg s SER 347 Cb -0.14 0.51 0.68 0.00 -1.71 0.00 0.00 66.02 65.37 2jgg s SER 347 CO 0.17 -0.78 1.72 0.07 1.20 0.00 0.00 173.24 175.63 2jgg h LYS 348 N 2.21 0.00 -0.02 5.44 2.10 -1.98 -3.36 116.57 120.96 2jgg h LYS 348 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2jgg h LYS 348 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2jgg h LYS 348 CO 0.36 0.00 -0.09 -0.25 -2.00 0.00 0.00 179.45 177.47 2jgg n ASP 349 N -2.62 1.81 -1.02 7.07 8.00 -1.26 -4.54 116.55 123.99 2jgg n ASP 349 Ca 0.04 -1.50 -0.00 0.00 0.71 0.00 0.00 54.79 54.04 2jgg n ASP 349 Cb 0.45 0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.61 2jgg n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jgg n ASN 350 N 0.28 -0.01 0.13 -2.24 0.23 -1.26 -5.05 115.26 107.33 2jgg n ASN 350 Ca 0.16 -1.02 0.13 0.00 -0.53 0.00 0.00 54.58 53.32 2jgg n ASN 350 Cb 0.42 0.03 0.38 0.00 -2.08 0.00 0.00 39.78 38.53 2jgg n ASN 350 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2jgg h GLU 351 N 0.00 0.00 -5.68 -3.83 4.39 -1.91 -3.44 114.58 104.10 2jgg h GLU 351 Ca -0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.32 2jgg h GLU 351 Cb 0.01 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 28.80 2jgg h GLU 351 CO 0.00 0.00 -0.68 0.43 -1.16 0.00 0.00 179.01 177.60 2jgg n SER 352 N -2.40 -5.28 -4.72 1.42 7.64 -1.26 -4.95 113.62 104.07 2jgg n SER 352 Ca 0.05 -0.54 -0.42 0.00 1.01 0.00 0.00 58.87 58.97 2jgg n SER 352 Cb 0.43 -4.94 -0.03 0.00 -1.01 0.00 0.00 64.21 58.65 2jgg n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jgg s LEU 353 N -6.94 4.40 0.22 -3.43 1.43 -1.26 -4.66 118.68 108.44 2jgg s LEU 353 Ca 0.44 2.09 0.07 0.00 -1.03 0.00 0.00 54.13 55.70 2jgg s LEU 353 Cb -0.19 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 2jgg s LEU 353 CO 0.71 -0.43 -0.11 0.27 0.23 0.00 0.00 176.35 177.02 2jgg s ILE 354 N 0.65 1.60 0.47 -0.59 -4.36 -1.23 -5.00 121.20 112.75 2jgg s ILE 354 Ca 0.57 -2.16 -0.04 0.00 -0.26 0.00 0.00 60.65 58.76 2jgg s ILE 354 Cb -0.31 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 2jgg s ILE 354 CO 0.32 -0.52 0.75 -0.94 0.24 0.00 0.00 174.94 174.78 2jgg s SER 355 N -3.33 6.10 0.27 4.36 1.04 -1.26 -4.14 113.70 116.74 2jgg s SER 355 Ca 0.24 0.72 -0.04 0.00 0.48 0.00 0.00 55.95 57.36 2jgg s SER 355 Cb 0.01 -2.03 0.36 0.00 0.10 0.00 0.00 66.02 64.46 2jgg s SER 355 CO 0.07 -0.62 1.92 -0.09 0.98 0.00 0.00 173.24 175.50 2jgg h ARG 356 N 0.27 1.21 -0.25 4.02 2.43 -1.88 0.77 114.38 120.94 2jgg h ARG 356 Ca -0.47 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 58.67 2jgg h ARG 356 Cb 1.22 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 2jgg h ARG 356 CO 0.61 0.80 -0.02 0.00 -1.51 0.00 0.00 179.97 179.84 2jgg h ALA 357 N 1.43 0.20 0.00 2.80 0.00 -1.98 -0.80 119.26 120.91 2jgg h ALA 357 Ca 0.38 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2jgg h ALA 357 Cb -0.03 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jgg h ALA 357 CO -0.11 -0.44 -0.07 1.96 0.00 0.00 0.00 179.25 180.59 2jgg h GLN 358 N 0.05 0.00 0.08 0.00 4.20 -1.27 -1.62 115.11 116.56 2jgg h GLN 358 Ca 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2jgg h GLN 358 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2jgg h GLN 358 CO -0.22 0.07 -0.04 0.35 -0.67 0.00 0.00 178.83 178.32 2jgg h PHE 359 N 0.00 -0.10 -0.75 2.96 3.04 -0.59 -0.55 116.94 120.94 2jgg h PHE 359 Ca -0.00 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.10 2jgg h PHE 359 Cb 0.14 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.64 2jgg h PHE 359 CO 0.00 0.45 0.50 -0.07 -2.02 0.00 0.00 178.31 177.18 2jgg h LEU 360 N -0.83 0.34 0.02 0.59 3.38 -0.86 0.17 115.31 118.13 2jgg h LEU 360 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jgg h LEU 360 Cb 0.60 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jgg h LEU 360 CO 0.02 0.17 -0.01 0.00 0.09 0.00 0.00 178.44 178.71 2jgg h ALA 361 N 1.65 -0.03 -1.01 1.53 0.00 -1.32 -3.23 119.26 116.84 2jgg h ALA 361 Ca 0.37 -0.32 0.25 0.00 0.00 0.00 0.00 54.91 55.21 2jgg h ALA 361 Cb 0.91 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.60 2jgg h ALA 361 CO -0.11 -0.18 0.61 0.78 0.00 0.00 0.00 179.25 180.35 2jgg h GLY 362 N -0.69 1.76 1.41 0.00 0.00 -0.36 -1.91 103.07 103.27 2jgg h GLY 362 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2jgg h GLY 362 CO 0.00 -0.21 0.11 -2.08 0.00 0.00 0.00 176.54 174.37 2jgg h VAL 363 N 0.56 1.21 0.00 4.60 2.07 -0.71 0.22 116.25 124.20 2jgg h VAL 363 Ca 0.63 -0.78 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 2jgg h VAL 363 Cb 1.26 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2jgg h VAL 363 CO -0.43 0.29 -0.47 0.03 0.02 0.00 0.00 177.57 177.00 2jgg h ARG 364 N 0.72 0.00 0.21 1.57 2.47 -1.38 -1.06 114.38 116.92 2jgg h ARG 364 Ca 0.16 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.57 2jgg h ARG 364 Cb 0.28 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.63 2jgg h ARG 364 CO -0.00 0.47 -1.40 0.82 0.56 0.00 0.00 179.97 180.42 2jgg h ILE 365 N 0.00 1.36 0.00 2.04 2.04 -1.15 -3.13 117.51 118.67 2jgg h ILE 365 Ca -0.00 -2.83 -0.06 0.00 1.00 0.00 0.00 64.86 62.97 2jgg h ILE 365 Cb 0.93 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 2jgg h ILE 365 CO 0.06 0.84 -0.27 1.23 0.00 0.00 0.00 178.15 180.02 2jgg h GLY 366 N 0.70 0.00 -6.00 5.37 0.00 -0.51 -2.79 103.07 99.84 2jgg h GLY 366 Ca -0.21 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.54 2jgg h GLY 366 CO 0.25 0.00 -0.85 -0.62 0.00 0.00 0.00 176.54 175.32 2jgg n VAL 367 N -3.22 1.08 0.27 4.60 0.31 -0.41 -4.86 118.33 116.11 2jgg n VAL 367 Ca 0.02 -4.76 0.15 0.00 -0.01 0.00 0.00 64.34 59.74 2jgg n VAL 367 Cb 0.58 -1.79 0.75 0.00 -0.91 0.00 0.00 33.84 32.47 2jgg n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jgg h PRO 368 N 3.86 0.00 -0.01 5.55 0.13 -1.67 -2.24 132.00 137.63 2jgg h PRO 368 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2jgg h PRO 368 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2jgg h PRO 368 CO 0.66 0.08 -0.04 1.04 -0.23 0.00 0.00 178.00 179.52 2jgg n GLN 369 N -3.33 1.29 -2.97 0.86 3.00 -1.26 -4.88 117.38 110.09 2jgg n GLN 369 Ca -0.01 -0.59 -0.40 0.00 -0.01 0.00 0.00 57.00 55.99 2jgg n GLN 369 Cb 0.26 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 28.97 2jgg n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jgg s ALA 370 N -2.12 3.31 1.29 -1.58 0.00 -0.84 -5.06 121.76 116.76 2jgg s ALA 370 Ca 0.38 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 2jgg s ALA 370 Cb 0.21 -3.05 0.32 0.00 0.00 0.00 0.00 23.12 20.60 2jgg s ALA 370 CO 0.38 -0.16 0.99 -1.54 0.00 0.00 0.00 175.76 175.43 2jgg s SER 371 N 0.86 0.01 0.14 0.00 1.04 -1.26 -4.75 113.70 109.74 2jgg s SER 371 Ca 0.41 1.09 -0.18 0.00 0.48 0.00 0.00 55.95 57.75 2jgg s SER 371 Cb -0.18 -1.63 0.01 0.00 0.10 0.00 0.00 66.02 64.31 2jgg s SER 371 CO 0.20 -4.74 1.77 0.44 0.98 0.00 0.00 173.24 171.89 2jgg h ASP 372 N -2.99 0.20 -0.62 7.02 5.19 -1.99 -1.93 116.42 121.30 2jgg h ASP 372 Ca -0.52 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.87 2jgg h ASP 372 Cb 1.34 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.80 2jgg h ASP 372 CO 0.39 0.16 0.22 0.25 -3.12 0.00 0.00 179.24 177.14 2jgg h LEU 373 N 0.30 0.88 -0.75 1.55 5.85 -1.97 -0.29 115.31 120.89 2jgg h LEU 373 Ca 0.13 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 2jgg h LEU 373 Cb 0.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2jgg h LEU 373 CO -0.10 0.83 0.30 0.00 -0.34 0.00 0.00 178.44 179.14 2jgg h ALA 374 N 1.08 0.97 -0.36 1.25 0.00 -1.83 -1.18 119.26 119.20 2jgg h ALA 374 Ca 0.20 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2jgg h ALA 374 Cb 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jgg h ALA 374 CO -0.01 0.59 -0.29 0.00 0.00 0.00 0.00 179.25 179.54 2jgg h ALA 375 N 1.15 0.52 -0.63 0.00 0.00 -1.08 -0.75 119.26 118.46 2jgg h ALA 375 Ca 0.25 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.88 2jgg h ALA 375 Cb 0.21 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.78 2jgg h ALA 375 CO -0.02 0.54 0.08 0.93 0.00 0.00 0.00 179.25 180.78 2jgg h GLU 376 N 0.62 0.20 -0.38 0.00 4.39 -0.80 0.70 114.58 119.30 2jgg h GLU 376 Ca 0.07 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2jgg h GLU 376 Cb 0.86 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 2jgg h GLU 376 CO 0.07 0.13 0.21 0.00 -1.16 0.00 0.00 179.01 178.26 2jgg h ALA 377 N 1.53 0.49 -0.39 3.43 0.00 -0.30 0.20 119.26 124.22 2jgg h ALA 377 Ca 0.33 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2jgg h ALA 377 Cb 0.53 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2jgg h ALA 377 CO -0.47 0.01 0.11 0.28 0.00 0.00 0.00 179.25 179.18 2jgg h VAL 378 N 0.49 0.85 -0.39 0.00 2.07 -0.25 0.21 116.25 119.24 2jgg h VAL 378 Ca 0.13 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2jgg h VAL 378 Cb 0.05 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2jgg h VAL 378 CO -0.02 0.05 0.04 0.58 0.02 0.00 0.00 177.57 178.24 2jgg h VAL 379 N 0.26 1.25 -0.66 2.57 2.07 -0.66 -1.50 116.25 119.57 2jgg h VAL 379 Ca 0.18 -0.91 0.14 0.00 0.82 0.00 0.00 66.70 66.93 2jgg h VAL 379 Cb 0.18 1.09 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 2jgg h VAL 379 CO -0.21 0.31 0.05 -0.07 0.02 0.00 0.00 177.57 177.67 2jgg h LEU 380 N 0.49 -0.21 -0.19 2.57 -0.00 0.15 -1.16 115.31 116.97 2jgg h LEU 380 Ca 0.11 0.16 -0.22 0.00 -0.00 0.00 0.00 57.88 57.93 2jgg h LEU 380 Cb 0.40 0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 41.32 2jgg h LEU 380 CO 0.01 -0.10 -0.94 -0.74 -0.00 0.00 0.00 178.44 176.67 2jgg h HIS 381 N 0.16 0.52 0.00 1.13 2.76 -0.13 -3.29 115.15 116.30 2jgg h HIS 381 Ca 0.36 -0.29 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2jgg h HIS 381 Cb 0.59 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 2jgg h HIS 381 CO -0.34 1.11 -1.05 1.88 -1.30 0.00 0.00 177.93 178.22 2jgg h TYR 382 N 0.19 0.00 -3.40 5.26 -1.99 -1.20 -3.46 116.97 112.38 2jgg h TYR 382 Ca -0.07 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.13 2jgg h TYR 382 Cb 1.58 0.00 0.08 0.00 2.00 0.00 0.00 36.73 40.39 2jgg h TYR 382 CO 0.05 0.09 0.85 0.99 -0.00 0.00 0.00 178.16 180.14 2jgg s THR 383 N -3.30 2.20 -0.35 -2.88 2.01 -0.45 -4.94 115.64 107.93 2jgg s THR 383 Ca -0.01 0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.94 2jgg s THR 383 Cb 0.09 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.50 2jgg s THR 383 CO 0.79 0.03 0.72 -0.62 -0.69 0.00 0.00 174.62 174.86 2jgg s ASP 384 N 0.40 6.51 0.00 3.53 2.15 -1.26 -4.94 116.67 123.06 2jgg s ASP 384 Ca 0.61 0.31 0.31 0.00 0.43 0.00 0.00 52.55 54.21 2jgg s ASP 384 Cb -0.46 -2.37 1.79 0.00 -0.30 0.00 0.00 42.92 41.58 2jgg s ASP 384 CO 0.48 -0.66 2.17 0.79 -0.17 0.00 0.00 175.17 177.77 2jgg n TRP 385 N 6.25 0.00 0.07 -5.34 7.02 -1.26 -1.61 117.44 122.57 2jgg n TRP 385 Ca 0.01 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.53 2jgg n TRP 385 Cb 0.48 -0.07 -0.04 0.00 -2.42 0.00 0.00 31.31 29.27 2jgg n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2jgg h LEU 386 N 0.00 0.00 -5.30 -0.99 3.38 -2.04 -3.41 115.31 106.96 2jgg h LEU 386 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2jgg h LEU 386 Cb 0.07 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.44 2jgg h LEU 386 CO 0.00 0.42 -1.13 1.41 0.09 0.00 0.00 178.44 179.24 2jgg n HIS 387 N -2.91 0.52 0.29 1.13 8.25 -0.63 -4.98 115.22 116.88 2jgg n HIS 387 Ca -0.05 -3.02 0.17 0.00 -0.26 0.00 0.00 57.72 54.56 2jgg n HIS 387 Cb 0.75 -0.21 0.85 0.00 1.12 0.00 0.00 29.99 32.50 2jgg n HIS 387 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2jgg h PRO 388 N 2.94 0.00 -0.02 -0.41 0.11 -1.57 -1.26 132.00 131.79 2jgg h PRO 388 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2jgg h PRO 388 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jgg h PRO 388 CO 0.45 0.00 -0.04 0.39 -0.21 0.00 0.00 178.00 178.59 2jgg n GLU 389 N -2.74 1.33 -2.17 1.05 -0.58 -1.26 -4.84 120.64 111.43 2jgg n GLU 389 Ca -0.01 -1.39 -0.42 0.00 -0.42 0.00 0.00 57.16 54.91 2jgg n GLU 389 Cb 0.12 -1.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 2jgg n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jgg s ASP 390 N -1.43 6.78 0.32 1.62 2.15 -0.48 -4.71 116.67 120.93 2jgg s ASP 390 Ca 0.18 2.04 0.14 0.00 0.43 0.00 0.00 52.55 55.35 2jgg s ASP 390 Cb 0.14 -2.54 0.52 0.00 -0.30 0.00 0.00 42.92 40.74 2jgg s ASP 390 CO 0.23 -0.85 1.68 -0.65 -0.17 0.00 0.00 175.17 175.41 2jgg h PRO 391 N 8.88 0.00 -0.08 4.34 0.11 -1.90 -0.95 132.00 142.40 2jgg h PRO 391 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2jgg h PRO 391 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jgg h PRO 391 CO 0.95 0.50 -0.04 1.15 -0.21 0.00 0.00 178.00 180.35 2jgg h THR 392 N 0.00 1.33 -0.35 -1.15 2.02 -1.91 -1.30 112.91 111.55 2jgg h THR 392 Ca -0.00 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.11 2jgg h THR 392 Cb 0.98 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 2jgg h THR 392 CO 0.06 0.30 0.22 -0.74 0.37 0.00 0.00 175.52 175.73 2jgg h HIS 393 N -0.21 0.45 -0.58 3.16 -0.00 -1.87 -1.34 115.15 114.76 2jgg h HIS 393 Ca 0.02 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 2jgg h HIS 393 Cb 0.49 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 2jgg h HIS 393 CO 0.07 0.30 0.36 -0.07 -0.00 0.00 0.00 177.93 178.59 2jgg h LEU 394 N 0.46 0.60 -0.20 0.26 3.38 -1.16 0.41 115.31 119.07 2jgg h LEU 394 Ca 0.13 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2jgg h LEU 394 Cb -0.03 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 2jgg h LEU 394 CO -0.03 0.43 -0.19 -0.09 0.09 0.00 0.00 178.44 178.66 2jgg h ARG 395 N 0.73 -0.19 0.00 1.13 1.12 -1.00 0.22 114.38 116.38 2jgg h ARG 395 Ca 0.22 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.02 2jgg h ARG 395 Cb -0.02 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2jgg h ARG 395 CO -0.08 -0.13 -0.40 -0.44 -3.11 0.00 0.00 179.97 175.82 2jgg h ASP 396 N -0.20 0.00 -0.15 -3.80 3.32 -0.11 -2.30 116.42 113.18 2jgg h ASP 396 Ca 0.12 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 2jgg h ASP 396 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jgg h ASP 396 CO -0.32 0.40 -0.36 0.00 -1.72 0.00 0.00 179.24 177.24 2jgg h ALA 397 N 1.60 0.24 -0.64 3.45 0.00 0.07 -1.74 119.26 122.24 2jgg h ALA 397 Ca -0.00 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.59 2jgg h ALA 397 Cb 0.72 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 2jgg h ALA 397 CO 0.05 0.31 0.15 1.98 0.00 0.00 0.00 179.25 181.74 2jgg h MET 398 N 0.12 0.27 0.48 0.00 1.85 -0.58 0.14 114.93 117.22 2jgg h MET 398 Ca -0.00 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 2jgg h MET 398 Cb 0.96 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.92 2jgg h MET 398 CO 0.08 0.18 -0.41 1.03 -0.40 0.00 0.00 176.91 177.39 2jgg h SER 399 N 0.28 -1.08 -0.79 1.39 0.87 -1.30 -2.83 113.55 110.09 2jgg h SER 399 Ca 0.34 0.08 0.18 0.00 -1.23 0.00 0.00 61.79 61.17 2jgg h SER 399 Cb 0.52 0.35 -0.12 0.00 -0.44 0.00 0.00 62.40 62.72 2jgg h SER 399 CO -0.42 -0.58 0.23 0.00 -0.53 0.00 0.00 176.83 175.52 2jgg h ALA 400 N -0.56 1.09 0.01 6.23 0.00 -0.36 -0.45 119.26 125.23 2jgg h ALA 400 Ca -0.05 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jgg h ALA 400 Cb 0.76 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2jgg h ALA 400 CO -0.02 -0.35 -0.13 0.28 0.00 0.00 0.00 179.25 179.03 2jgg h VAL 401 N 0.29 0.68 -0.33 0.00 2.07 -0.51 0.81 116.25 119.26 2jgg h VAL 401 Ca 0.46 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.93 2jgg h VAL 401 Cb 0.83 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2jgg h VAL 401 CO -0.54 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 177.62 2jgg h VAL 402 N -0.23 1.26 -0.61 2.57 2.07 -1.26 -0.57 116.25 119.50 2jgg h VAL 402 Ca 0.04 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2jgg h VAL 402 Cb 0.28 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2jgg h VAL 402 CO -0.12 0.32 0.20 1.23 0.02 0.00 0.00 177.57 179.22 2jgg h GLY 403 N 0.39 0.97 0.95 2.17 0.00 -0.81 -2.04 103.07 104.70 2jgg h GLY 403 Ca 0.09 -0.53 -0.22 0.00 0.00 0.00 0.00 47.33 46.67 2jgg h GLY 403 CO 0.02 0.50 -0.89 -0.55 0.00 0.00 0.00 176.54 175.63 2jgg h ASP 404 N 0.88 0.67 0.09 0.19 3.32 0.81 -1.05 116.42 121.34 2jgg h ASP 404 Ca 0.20 -0.81 -0.16 0.00 0.02 0.00 0.00 57.03 56.27 2jgg h ASP 404 Cb 0.24 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2jgg h ASP 404 CO -0.01 1.41 -0.59 -0.74 -1.72 0.00 0.00 179.24 177.59 2jgg h HIS 405 N 0.02 0.64 0.00 4.55 2.76 -1.03 -1.20 115.15 120.90 2jgg h HIS 405 Ca -0.13 -0.24 -0.13 0.00 -2.20 0.00 0.00 60.37 57.67 2jgg h HIS 405 Cb 1.60 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.42 2jgg h HIS 405 CO 0.14 0.97 -1.99 0.09 -1.30 0.00 0.00 177.93 175.84 2jgg n ASN 406 N -3.93 0.15 0.05 3.26 3.02 -0.78 -4.48 115.26 112.56 2jgg n ASN 406 Ca -0.03 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2jgg n ASN 406 Cb 0.62 1.39 0.00 0.00 -0.61 0.00 0.00 39.78 41.18 2jgg n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jgg n VAL 407 N -2.51 0.41 0.24 2.41 0.31 -1.01 -4.74 118.33 113.44 2jgg n VAL 407 Ca -0.13 0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2jgg n VAL 407 Cb 0.78 -0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 32.75 2jgg n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jgg h VAL 408 N 0.00 0.58 -0.62 2.52 2.07 -1.21 0.16 116.25 119.74 2jgg h VAL 408 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2jgg h VAL 408 Cb 0.00 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2jgg h VAL 408 CO 0.00 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.61 2jgg h PRO 410 N 0.99 -0.19 -0.59 0.00 0.11 -1.69 -0.49 132.00 130.13 2jgg h PRO 410 Ca 0.18 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.42 2jgg h PRO 410 Cb 0.54 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 31.60 2jgg h PRO 410 CO 0.03 -0.13 0.09 0.28 -0.21 0.00 0.00 178.00 178.06 2jgg h VAL 411 N -0.20 0.60 0.12 3.15 2.07 -0.28 0.01 116.25 121.73 2jgg h VAL 411 Ca 0.10 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2jgg h VAL 411 Cb 0.35 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2jgg h VAL 411 CO -0.27 0.04 -0.06 0.00 0.02 0.00 0.00 177.57 177.29 2jgg h ALA 412 N 1.49 -0.17 -0.66 1.67 0.00 -0.39 0.13 119.26 121.34 2jgg h ALA 412 Ca 0.31 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2jgg h ALA 412 Cb 0.48 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 2jgg h ALA 412 CO -0.43 -0.60 -0.30 0.37 0.00 0.00 0.00 179.25 178.29 2jgg h GLN 413 N -0.17 -0.10 -0.16 0.00 5.75 -0.76 -0.51 115.11 119.15 2jgg h GLN 413 Ca -0.02 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2jgg h GLN 413 Cb 0.13 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2jgg h GLN 413 CO 0.03 -0.07 0.07 1.25 -2.65 0.00 0.00 178.83 177.45 2jgg h LEU 414 N -0.11 0.22 0.27 -2.39 5.85 -0.15 -1.29 115.31 117.70 2jgg h LEU 414 Ca 0.27 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2jgg h LEU 414 Cb 0.55 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2jgg h LEU 414 CO -0.72 0.31 -0.13 0.00 -0.34 0.00 0.00 178.44 177.56 2jgg h ALA 415 N 0.92 -0.36 -0.65 1.25 0.00 -0.56 -0.68 119.26 119.18 2jgg h ALA 415 Ca 0.05 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2jgg h ALA 415 Cb 0.16 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2jgg h ALA 415 CO -0.01 -0.67 -0.43 0.78 0.00 0.00 0.00 179.25 178.93 2jgg h GLY 416 N -0.42 -0.39 0.82 0.00 0.00 -0.88 0.94 103.07 103.15 2jgg h GLY 416 Ca -0.04 0.56 -0.09 0.00 0.00 0.00 0.00 47.33 47.76 2jgg h GLY 416 CO 0.06 -0.16 -0.25 3.21 0.00 0.00 0.00 176.54 179.40 2jgg h ARG 417 N -0.18 0.48 -0.20 4.80 2.47 -1.17 -2.09 114.38 118.49 2jgg h ARG 417 Ca 0.20 -0.28 0.05 0.00 -1.26 0.00 0.00 59.98 58.70 2jgg h ARG 417 Cb 0.56 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.84 2jgg h ARG 417 CO -0.73 0.87 -0.21 -0.07 0.56 0.00 0.00 179.97 180.39 2jgg h LEU 418 N 0.12 -0.66 0.06 3.04 4.07 -0.68 -2.52 115.31 118.74 2jgg h LEU 418 Ca 0.02 0.12 0.02 0.00 0.08 0.00 0.00 57.88 58.12 2jgg h LEU 418 Cb 0.81 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 42.83 2jgg h LEU 418 CO 0.06 -0.25 -0.26 0.00 -1.08 0.00 0.00 178.44 176.91 2jgg h ALA 419 N 0.83 -0.39 -0.14 1.53 0.00 -0.81 -1.97 119.26 118.31 2jgg h ALA 419 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2jgg h ALA 419 Cb 0.41 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jgg h ALA 419 CO -0.33 -0.78 0.36 0.00 0.00 0.00 0.00 179.25 178.50 2jgg h ALA 420 N 0.35 1.60 0.00 0.00 0.00 -1.01 -2.10 119.26 118.09 2jgg h ALA 420 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jgg h ALA 420 Cb 0.48 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jgg h ALA 420 CO -0.19 -0.43 -0.43 1.04 0.00 0.00 0.00 179.25 179.24 2jgg n GLN 421 N -3.19 1.55 0.00 0.00 6.02 -0.94 -4.96 117.38 115.86 2jgg n GLN 421 Ca 0.01 -3.21 0.00 0.00 -0.01 0.00 0.00 57.00 53.79 2jgg n GLN 421 Cb 0.45 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2jgg n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jgg n GLY 422 N -1.16 0.61 3.83 1.08 0.00 -0.79 -0.99 105.19 107.77 2jgg n GLY 422 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2jgg n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jgg s ALA 423 N -2.00 3.08 -0.44 4.61 0.00 -0.78 -3.82 121.76 122.41 2jgg s ALA 423 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.07 2jgg s ALA 423 Cb 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 20.06 2jgg s ALA 423 CO 0.00 0.05 0.48 0.50 0.00 0.00 0.00 175.76 176.79 2jgg s ARG 424 N -3.42 3.10 -0.14 0.00 3.52 0.24 -4.45 118.95 117.80 2jgg s ARG 424 Ca 0.60 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 55.37 2jgg s ARG 424 Cb -0.09 -4.01 -0.03 0.00 -1.56 0.00 0.00 34.95 29.26 2jgg s ARG 424 CO 0.19 -0.95 -0.06 0.08 -0.81 0.00 0.00 175.30 173.75 2jgg s VAL 425 N 2.24 3.72 -0.08 7.11 1.01 -1.26 -0.75 120.40 132.40 2jgg s VAL 425 Ca 0.13 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2jgg s VAL 425 Cb -0.18 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2jgg s VAL 425 CO 0.13 0.51 -0.09 -0.31 0.00 0.00 0.00 175.10 175.35 2jgg s TYR 426 N 0.18 2.88 -0.01 5.22 1.51 0.65 0.49 117.35 128.28 2jgg s TYR 426 Ca -0.03 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.95 2jgg s TYR 426 Cb -0.14 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 2jgg s TYR 426 CO 0.03 0.20 -0.15 0.00 -1.11 0.00 0.00 175.55 174.52 2jgg s ALA 427 N -0.54 1.28 0.05 3.71 0.00 -1.26 -0.82 121.76 124.17 2jgg s ALA 427 Ca 0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2jgg s ALA 427 Cb -0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2jgg s ALA 427 CO 0.02 0.31 0.05 1.52 0.00 0.00 0.00 175.76 177.66 2jgg s TYR 428 N -0.40 0.31 -0.15 0.00 -0.85 -0.73 -1.13 117.35 114.41 2jgg s TYR 428 Ca 0.06 -0.73 0.01 0.00 -0.52 0.00 0.00 57.07 55.89 2jgg s TYR 428 Cb -0.06 -0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.08 2jgg s TYR 428 CO -0.00 -0.38 -0.16 -1.50 -1.52 0.00 0.00 175.55 171.98 2jgg s ILE 429 N -3.18 1.68 -0.21 -3.49 2.07 -0.62 -1.91 121.20 115.53 2jgg s ILE 429 Ca -0.00 -0.71 -0.23 0.00 -1.41 0.00 0.00 60.65 58.30 2jgg s ILE 429 Cb 0.02 -1.55 -0.01 0.00 0.13 0.00 0.00 42.46 41.05 2jgg s ILE 429 CO -0.07 0.48 0.75 0.12 -1.91 0.00 0.00 174.94 174.31 2jgg s PHE 430 N 1.33 3.35 -0.02 3.50 2.19 0.14 -1.57 117.98 126.89 2jgg s PHE 430 Ca 0.02 1.07 0.03 0.00 0.33 0.00 0.00 56.93 58.38 2jgg s PHE 430 Cb -0.13 -2.95 0.04 0.00 -1.31 0.00 0.00 43.02 38.67 2jgg s PHE 430 CO -0.09 -0.29 0.92 0.39 1.83 0.00 0.00 175.22 177.97 2jgg n GLU 431 N 5.53 1.97 -3.70 10.12 1.02 0.49 -0.70 120.64 135.36 2jgg n GLU 431 Ca 0.03 -1.43 -0.37 0.00 -0.02 0.00 0.00 57.16 55.37 2jgg n GLU 431 Cb 0.49 -0.94 -0.11 0.00 -0.02 0.00 0.00 31.44 30.85 2jgg n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jgg s HIS 432 N -1.02 3.22 -0.21 -0.32 2.46 -1.23 -4.92 115.29 113.27 2jgg s HIS 432 Ca 0.05 0.03 -0.22 0.00 0.47 0.00 0.00 55.06 55.38 2jgg s HIS 432 Cb 0.04 -2.28 -0.02 0.00 -0.13 0.00 0.00 32.58 30.19 2jgg s HIS 432 CO 0.00 -0.10 0.69 0.50 -2.47 0.00 0.00 174.74 173.37 2jgg s ARG 433 N 1.35 4.20 0.07 2.88 3.52 -1.26 -4.93 118.95 124.78 2jgg s ARG 433 Ca 0.06 0.72 -0.37 0.00 -0.13 0.00 0.00 55.73 56.01 2jgg s ARG 433 Cb -0.15 -3.60 -0.18 0.00 -1.56 0.00 0.00 34.95 29.46 2jgg s ARG 433 CO 0.06 -0.34 1.11 0.00 -0.81 0.00 0.00 175.30 175.32 2jgg n ALA 434 N 5.38 -2.36 0.27 6.12 0.00 -1.26 -4.85 120.51 123.82 2jgg n ALA 434 Ca 0.01 0.54 0.14 0.00 0.00 0.00 0.00 53.44 54.12 2jgg n ALA 434 Cb 0.49 -1.88 0.83 0.00 0.00 0.00 0.00 19.45 18.90 2jgg n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jgg h SER 435 N 3.29 0.00 -0.19 0.00 4.64 -1.96 -2.80 113.55 116.54 2jgg h SER 435 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2jgg h SER 435 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2jgg h SER 435 CO 0.69 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.00 2jgg n THR 436 N -4.03 0.23 -1.92 2.95 -2.24 -1.26 -5.01 114.28 103.00 2jgg n THR 436 Ca -0.02 -0.43 -0.39 0.00 -2.27 0.00 0.00 64.05 60.94 2jgg n THR 436 Cb 0.12 0.58 0.01 0.00 -2.10 0.00 0.00 70.33 68.93 2jgg n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jgg s LEU 437 N -1.62 4.11 0.00 3.22 2.96 -1.06 -4.94 118.68 121.34 2jgg s LEU 437 Ca 0.34 2.77 0.18 0.00 -0.22 0.00 0.00 54.13 57.19 2jgg s LEU 437 Cb 0.19 -3.99 0.05 0.00 0.50 0.00 0.00 46.19 42.94 2jgg s LEU 437 CO 0.28 -1.10 0.97 0.35 -1.32 0.00 0.00 176.35 175.53 2jgg n THR 438 N -0.22 0.00 -2.10 3.68 -2.24 -1.26 -4.95 114.28 107.20 2jgg n THR 438 Ca 0.05 -0.39 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 2jgg n THR 438 Cb 0.43 1.27 0.03 0.00 -2.10 0.00 0.00 70.33 69.96 2jgg n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jgg s TRP 439 N -1.83 3.39 0.80 4.78 0.52 -1.26 -4.87 118.94 120.46 2jgg s TRP 439 Ca 0.17 0.96 -0.11 0.00 0.02 0.00 0.00 56.10 57.13 2jgg s TRP 439 Cb 0.14 -2.84 0.07 0.00 -1.15 0.00 0.00 33.47 29.70 2jgg s TRP 439 CO 0.36 -0.90 1.10 -2.14 0.02 0.00 0.00 176.95 175.39 2jgg s PRO 440 N -5.16 2.10 0.50 4.98 0.02 -1.26 -4.91 135.00 131.27 2jgg s PRO 440 Ca 0.55 0.66 0.19 0.00 0.02 0.00 0.00 61.00 62.42 2jgg s PRO 440 Cb -0.11 -1.92 1.28 0.00 0.02 0.00 0.00 34.50 33.77 2jgg s PRO 440 CO 0.50 -1.61 2.09 -0.07 -0.33 0.00 0.00 177.00 177.58 2jgg h LEU 441 N -1.08 0.00 -1.45 -5.54 3.38 -1.95 -2.39 115.31 106.27 2jgg h LEU 441 Ca -0.47 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2jgg h LEU 441 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2jgg h LEU 441 CO 0.59 0.09 -0.26 4.11 0.09 0.00 0.00 178.44 183.06 2jgg h TRP 442 N 0.00 0.00 0.00 1.13 5.08 -1.92 -2.45 115.95 117.79 2jgg h TRP 442 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2jgg h TRP 442 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 2jgg h TRP 442 CO 0.00 0.26 0.00 -1.33 -1.28 0.00 0.00 178.44 176.09 2jgg n MET 443 N -3.86 0.12 0.00 0.12 2.81 -0.90 -4.95 117.12 110.46 2jgg n MET 443 Ca -0.02 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2jgg n MET 443 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 2jgg n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jgg n GLY 444 N 0.13 3.13 3.33 3.03 0.00 -0.92 -3.58 105.19 110.30 2jgg n GLY 444 Ca 0.06 -0.22 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 2jgg n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jgg s VAL 445 N 0.00 5.38 0.96 1.61 1.01 -1.26 -4.87 120.40 123.22 2jgg s VAL 445 Ca 0.00 -1.97 -0.14 0.00 0.00 0.00 0.00 61.98 59.87 2jgg s VAL 445 Cb 0.00 -4.43 0.17 0.00 0.00 0.00 0.00 36.38 32.12 2jgg s VAL 445 CO 0.00 -0.99 1.19 -2.16 0.00 0.00 0.00 175.10 173.14 2jgg s PRO 446 N 0.97 0.76 0.13 2.72 0.05 -1.23 -1.30 135.00 137.10 2jgg s PRO 446 Ca 0.12 0.02 -0.31 0.00 0.05 0.00 0.00 61.00 60.87 2jgg s PRO 446 Cb -0.19 -1.82 -0.09 0.00 0.05 0.00 0.00 34.50 32.45 2jgg s PRO 446 CO -0.03 -2.40 1.50 -1.58 0.05 0.00 0.00 177.00 174.54 2jgg s HIS 447 N -3.45 3.07 0.00 0.56 5.65 -1.21 -2.80 115.29 117.11 2jgg s HIS 447 Ca 0.67 0.73 0.00 0.00 0.25 0.00 0.00 55.06 56.71 2jgg s HIS 447 Cb -0.10 -3.83 0.00 0.00 -1.18 0.00 0.00 32.58 27.47 2jgg s HIS 447 CO 0.53 -3.04 0.00 0.41 -0.65 0.00 0.00 174.74 171.99 2jgg n GLY 448 N 3.68 0.60 1.68 1.59 0.00 -1.26 -4.96 105.19 106.51 2jgg n GLY 448 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2jgg n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jgg n TYR 449 N -2.00 1.64 0.35 1.61 4.02 -1.12 -3.60 117.16 118.07 2jgg n TYR 449 Ca 0.00 -0.64 0.11 0.00 -0.01 0.00 0.00 57.90 57.36 2jgg n TYR 449 Cb 0.00 -0.31 -0.10 0.00 -0.02 0.00 0.00 39.34 38.91 2jgg n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jgg n GLU 450 N 1.02 0.43 -0.04 -0.72 0.00 -1.26 -4.58 120.64 115.50 2jgg n GLU 450 Ca 0.27 -0.08 -0.11 0.00 0.00 0.00 0.00 57.16 57.24 2jgg n GLU 450 Cb 0.97 -1.56 -0.04 0.00 0.00 0.00 0.00 31.44 30.80 2jgg n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jgg h ILE 451 N 0.00 1.10 -0.35 3.84 2.04 -1.94 -1.51 117.51 120.69 2jgg h ILE 451 Ca 0.00 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.69 2jgg h ILE 451 Cb 0.83 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2jgg h ILE 451 CO 0.00 0.09 0.30 1.05 0.00 0.00 0.00 178.15 179.59 2jgg h GLU 452 N 0.17 0.00 0.02 2.37 4.11 -1.81 -1.11 114.58 118.34 2jgg h GLU 452 Ca 0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.43 2jgg h GLU 452 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2jgg h GLU 452 CO -0.01 0.00 -0.26 0.74 0.07 0.00 0.00 179.01 179.55 2jgg h PHE 453 N 0.00 0.22 0.00 2.06 0.04 -1.58 -0.29 116.94 117.38 2jgg h PHE 453 Ca 0.17 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2jgg h PHE 453 Cb 0.76 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 2jgg h PHE 453 CO 0.00 1.01 -0.10 0.82 -0.60 0.00 0.00 178.31 179.44 2jgg h ILE 454 N -0.64 0.51 -0.00 -0.55 2.04 -0.50 0.15 117.51 118.52 2jgg h ILE 454 Ca -0.04 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2jgg h ILE 454 Cb 1.10 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2jgg h ILE 454 CO 0.05 0.10 -0.34 0.49 0.00 0.00 0.00 178.15 178.45 2jgg n PHE 455 N -3.59 0.00 -1.70 1.37 3.01 -0.51 -4.52 117.46 111.51 2jgg n PHE 455 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 2jgg n PHE 455 Cb 0.23 -0.19 -0.00 0.00 -0.01 0.00 0.00 39.48 39.51 2jgg n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jgg n GLY 456 N 1.41 0.37 0.27 1.37 0.00 0.04 -4.11 105.19 104.53 2jgg n GLY 456 Ca 0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 2jgg n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jgg h LEU 457 N 0.00 0.56 -1.22 0.99 4.07 -1.28 -1.05 115.31 117.38 2jgg h LEU 457 Ca -0.05 0.04 0.21 0.00 0.08 0.00 0.00 57.88 58.16 2jgg h LEU 457 Cb 0.72 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 2jgg h LEU 457 CO 0.06 0.35 0.97 -0.65 -1.08 0.00 0.00 178.44 178.09 2jgg h PRO 458 N 0.69 0.00 0.00 1.13 0.11 -1.90 0.35 132.00 132.38 2jgg h PRO 458 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2jgg h PRO 458 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2jgg h PRO 458 CO -0.21 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.51 2jgg h LEU 459 N 0.00 0.00 -8.49 2.35 4.07 -1.50 -3.42 115.31 108.32 2jgg h LEU 459 Ca 0.35 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.70 2jgg h LEU 459 Cb 2.29 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 43.92 2jgg h LEU 459 CO -0.00 0.00 0.60 -0.62 -1.08 0.00 0.00 178.44 177.34 2jgg s ASP 460 N -4.87 6.34 0.54 -0.43 -1.08 0.12 -4.84 116.67 112.45 2jgg s ASP 460 Ca 0.01 -0.33 0.21 0.00 -0.52 0.00 0.00 52.55 51.92 2jgg s ASP 460 Cb 0.09 -2.45 1.39 0.00 -1.46 0.00 0.00 42.92 40.50 2jgg s ASP 460 CO 0.42 -1.25 2.11 1.55 0.52 0.00 0.00 175.17 178.51 2jgg h PRO 461 N 9.34 0.00 0.00 4.34 0.13 -1.87 0.37 132.00 144.31 2jgg h PRO 461 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2jgg h PRO 461 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jgg h PRO 461 CO 1.10 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.74 2jgg n SER 462 N -4.36 0.00 -0.86 1.44 3.41 -1.26 -3.26 113.62 108.73 2jgg n SER 462 Ca 0.01 -0.76 0.11 0.00 -0.26 0.00 0.00 58.87 57.98 2jgg n SER 462 Cb 0.27 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.30 2jgg n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jgg n LEU 463 N -0.74 2.79 -0.29 1.04 4.77 0.13 -4.98 117.00 119.72 2jgg n LEU 463 Ca 0.06 -0.96 -0.04 0.00 -0.03 0.00 0.00 56.01 55.04 2jgg n LEU 463 Cb 0.03 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2jgg n LEU 463 CO 0.04 0.47 -0.04 0.59 -1.33 0.00 0.00 177.39 177.13 2jgg n ASN 464 N 1.10 -4.16 -4.80 -1.43 3.02 -1.20 -5.01 115.26 102.79 2jgg n ASN 464 Ca 0.13 0.10 -0.33 0.00 -0.03 0.00 0.00 54.58 54.44 2jgg n ASN 464 Cb 0.56 -2.00 0.01 0.00 -0.61 0.00 0.00 39.78 37.74 2jgg n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jgg s TYR 465 N -1.91 2.92 0.74 3.10 2.02 -1.26 -4.83 117.35 118.14 2jgg s TYR 465 Ca 0.00 1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 58.12 2jgg s TYR 465 Cb 0.00 -3.06 0.04 0.00 -0.40 0.00 0.00 41.96 38.54 2jgg s TYR 465 CO 0.00 -1.17 1.08 0.95 -1.57 0.00 0.00 175.55 174.84 2jgg s THR 466 N -2.31 3.54 0.20 -0.71 -4.23 -1.26 -4.88 115.64 105.99 2jgg s THR 466 Ca 0.65 0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 61.56 2jgg s THR 466 Cb -0.17 -3.28 0.14 0.00 1.34 0.00 0.00 72.50 70.53 2jgg s THR 466 CO 0.34 -0.65 1.87 0.74 -0.54 0.00 0.00 174.62 176.37 2jgg h THR 467 N -0.87 1.16 -0.53 3.99 2.02 -1.97 -1.14 112.91 115.57 2jgg h THR 467 Ca -0.45 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 2jgg h THR 467 Cb 1.24 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2jgg h THR 467 CO 0.59 0.17 0.25 -0.33 0.37 0.00 0.00 175.52 176.58 2jgg h GLU 468 N 0.94 0.75 -0.28 6.66 3.07 -1.99 -0.46 114.58 123.25 2jgg h GLU 468 Ca 0.27 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 58.90 2jgg h GLU 468 Cb -0.07 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 2jgg h GLU 468 CO -0.07 0.58 -0.38 0.93 -1.40 0.00 0.00 179.01 178.67 2jgg h GLU 469 N 0.75 0.65 -0.20 2.33 5.08 -1.79 -0.36 114.58 121.04 2jgg h GLU 469 Ca 0.19 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2jgg h GLU 469 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jgg h GLU 469 CO -0.03 0.93 0.13 -0.09 -1.00 0.00 0.00 179.01 178.95 2jgg h ARG 470 N 0.54 0.26 -0.91 2.33 2.43 0.10 -0.50 114.38 118.63 2jgg h ARG 470 Ca 0.05 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2jgg h ARG 470 Cb 0.90 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 2jgg h ARG 470 CO 0.08 0.17 0.59 0.82 -1.51 0.00 0.00 179.97 180.12 2jgg h ILE 471 N 0.27 1.19 -0.23 1.20 2.04 -0.85 -2.55 117.51 118.58 2jgg h ILE 471 Ca 0.08 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.35 2jgg h ILE 471 Cb -0.02 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 35.96 2jgg h ILE 471 CO -0.02 0.21 -0.59 0.15 0.00 0.00 0.00 178.15 177.90 2jgg h PHE 472 N 1.18 0.95 -0.52 1.37 3.57 -0.85 -1.08 116.94 121.56 2jgg h PHE 472 Ca 0.35 -0.35 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2jgg h PHE 472 Cb -0.06 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2jgg h PHE 472 CO -0.01 1.15 0.19 0.00 -2.23 0.00 0.00 178.31 177.41 2jgg h ALA 473 N 0.77 1.37 -0.48 2.41 0.00 -0.93 0.31 119.26 122.71 2jgg h ALA 473 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2jgg h ALA 473 Cb 1.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2jgg h ALA 473 CO 0.12 0.47 0.03 1.96 0.00 0.00 0.00 179.25 181.83 2jgg h GLN 474 N 0.74 0.83 -0.64 0.00 4.20 -1.12 -0.60 115.11 118.52 2jgg h GLN 474 Ca 0.18 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2jgg h GLN 474 Cb 0.17 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2jgg h GLN 474 CO -0.01 0.86 0.33 -0.09 -0.67 0.00 0.00 178.83 179.25 2jgg h ARG 475 N 0.69 0.90 -0.21 1.46 2.43 -0.45 -1.43 114.38 117.77 2jgg h ARG 475 Ca 0.14 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2jgg h ARG 475 Cb 0.47 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2jgg h ARG 475 CO 0.02 0.69 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.83 2jgg h LEU 476 N 0.87 0.60 -1.62 3.80 3.38 -0.77 -1.67 115.31 119.90 2jgg h LEU 476 Ca 0.22 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.80 2jgg h LEU 476 Cb 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2jgg h LEU 476 CO -0.03 0.98 0.42 0.24 0.09 0.00 0.00 178.44 180.14 2jgg h MET 477 N 0.23 0.40 -0.04 1.13 2.86 -0.96 -0.74 114.93 117.82 2jgg h MET 477 Ca 0.03 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2jgg h MET 477 Cb 0.84 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2jgg h MET 477 CO 0.06 0.27 -0.00 0.87 1.06 0.00 0.00 176.91 179.17 2jgg h LYS 478 N 0.41 0.08 -0.05 1.72 1.79 -0.77 -1.26 116.57 118.49 2jgg h LYS 478 Ca 0.29 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.77 2jgg h LYS 478 Cb 0.59 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 2jgg h LYS 478 CO -0.08 0.38 -0.18 1.88 -1.08 0.00 0.00 179.45 180.36 2jgg h TYR 479 N -0.23 -0.48 0.74 -1.35 0.05 -0.27 0.25 116.97 115.68 2jgg h TYR 479 Ca 0.01 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 2jgg h TYR 479 Cb 0.35 0.22 0.01 0.00 1.01 0.00 0.00 36.73 38.31 2jgg h TYR 479 CO 0.04 -0.26 -0.36 -1.49 -1.05 0.00 0.00 178.16 175.03 2jgg h TRP 480 N -0.27 -0.94 -0.15 4.88 6.55 -1.25 -0.38 115.95 124.38 2jgg h TRP 480 Ca 0.07 -0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.83 2jgg h TRP 480 Cb 0.37 0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.97 2jgg h TRP 480 CO -0.26 -0.58 -0.16 1.79 -1.05 0.00 0.00 178.44 178.18 2jgg h THR 481 N -1.00 1.19 -0.18 1.49 1.35 -1.13 0.15 112.91 114.79 2jgg h THR 481 Ca -0.10 -0.87 -0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2jgg h THR 481 Cb 0.77 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2jgg h THR 481 CO 0.16 0.27 0.10 0.78 -0.25 0.00 0.00 175.52 176.58 2jgg h ASN 482 N 0.23 0.23 -0.97 5.36 2.35 -0.36 0.14 115.58 122.56 2jgg h ASN 482 Ca 0.05 -0.08 0.07 0.00 -0.55 0.00 0.00 56.30 55.78 2jgg h ASN 482 Cb 0.43 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.67 2jgg h ASN 482 CO 0.03 0.25 0.62 0.15 -1.65 0.00 0.00 177.43 176.82 2jgg h PHE 483 N 0.19 1.14 0.19 1.19 3.57 -0.45 0.60 116.94 123.38 2jgg h PHE 483 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2jgg h PHE 483 Cb 0.07 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.43 2jgg h PHE 483 CO -0.04 0.57 -0.12 0.00 -2.23 0.00 0.00 178.31 176.49 2jgg h ALA 484 N 1.45 -0.29 -0.51 2.41 0.00 -0.28 -0.33 119.26 121.71 2jgg h ALA 484 Ca 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2jgg h ALA 484 Cb 0.20 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jgg h ALA 484 CO -0.18 -0.67 0.23 0.00 0.00 0.00 0.00 179.25 178.63 2jgg h ARG 485 N -0.30 0.75 0.00 0.00 3.08 -0.11 -3.38 114.38 114.41 2jgg h ARG 485 Ca -0.02 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2jgg h ARG 485 Cb 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2jgg h ARG 485 CO 0.02 0.63 -1.01 0.25 -1.07 0.00 0.00 179.97 178.79 2jgg n THR 486 N -4.58 0.00 -0.88 2.04 -2.24 0.12 -4.99 114.28 103.75 2jgg n THR 486 Ca 0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jgg n THR 486 Cb 0.13 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2jgg n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jgg n GLY 487 N 2.20 0.49 2.99 3.38 0.00 -0.13 -5.04 105.19 109.09 2jgg n GLY 487 Ca -0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 2jgg n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jgg s ASP 488 N -2.56 0.23 0.00 1.61 -1.08 -1.25 -4.87 116.67 108.74 2jgg s ASP 488 Ca 0.00 0.41 0.14 0.00 -0.52 0.00 0.00 52.55 52.58 2jgg s ASP 488 Cb 0.00 1.07 0.65 0.00 -1.46 0.00 0.00 42.92 43.18 2jgg s ASP 488 CO 0.00 -0.28 1.44 -0.81 0.52 0.00 0.00 175.17 176.04 2jgg n PRO 489 N 5.37 0.07 -2.78 4.34 -0.04 -1.26 -3.41 135.00 137.28 2jgg n PRO 489 Ca -0.05 0.22 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 2jgg n PRO 489 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2jgg n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jgg s ASN 490 N -2.85 6.79 -0.19 3.54 0.01 -1.26 -4.35 114.94 116.63 2jgg s ASN 490 Ca 0.09 1.53 -0.22 0.00 -0.71 0.00 0.00 52.86 53.56 2jgg s ASN 490 Cb 0.09 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 2jgg s ASN 490 CO 0.25 -0.39 0.66 -0.62 -1.51 0.00 0.00 177.10 175.49 2jgg s ASP 491 N -2.50 6.74 0.53 -1.22 3.68 -1.26 -4.93 116.67 117.71 2jgg s ASP 491 Ca 0.59 0.90 0.29 0.00 2.13 0.00 0.00 52.55 56.46 2jgg s ASP 491 Cb -0.10 -2.37 1.48 0.00 -1.45 0.00 0.00 42.92 40.48 2jgg s ASP 491 CO 0.20 -0.29 2.06 -0.65 0.13 0.00 0.00 175.17 176.63 2jgg h PRO 492 N 7.42 0.00 0.03 4.34 0.11 -1.96 -3.19 132.00 138.75 2jgg h PRO 492 Ca -0.31 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 2jgg h PRO 492 Cb 1.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.26 2jgg h PRO 492 CO 0.78 0.11 -0.24 0.00 -0.21 0.00 0.00 178.00 178.44 2jgg h ARG 493 N 0.00 0.11 -3.02 1.05 3.08 -2.04 -3.39 114.38 110.17 2jgg h ARG 493 Ca -0.00 -0.16 -0.68 0.00 0.07 0.00 0.00 59.98 59.22 2jgg h ARG 493 Cb 0.37 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.49 2jgg h ARG 493 CO 0.01 1.01 3.71 -0.25 -1.07 0.00 0.00 179.97 183.39 2jgg n ASP 494 N -4.49 8.49 0.19 7.04 8.00 -1.21 -4.56 116.55 130.02 2jgg n ASP 494 Ca -0.11 -2.63 0.14 0.00 0.71 0.00 0.00 54.79 52.90 2jgg n ASP 494 Cb 0.55 -1.55 0.55 0.00 -0.02 0.00 0.00 41.12 40.65 2jgg n ASP 494 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2jgg h SER 495 N 5.02 0.00 0.70 -2.24 4.64 -1.77 -2.78 113.55 117.11 2jgg h SER 495 Ca 0.85 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 62.14 2jgg h SER 495 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2jgg h SER 495 CO 1.77 0.00 -0.44 0.11 -0.87 0.00 0.00 176.83 177.40 2jgg h LYS 496 N 0.00 -1.02 -6.29 4.77 6.56 -1.96 -3.45 116.57 115.19 2jgg h LYS 496 Ca 0.00 0.07 -0.63 0.00 -1.06 0.00 0.00 60.65 59.03 2jgg h LYS 496 Cb 0.49 0.23 0.11 0.00 -0.57 0.00 0.00 32.23 32.49 2jgg h LYS 496 CO 0.00 -0.68 -0.11 0.43 -2.06 0.00 0.00 179.45 177.03 2jgg n SER 497 N -5.17 0.34 -4.75 0.86 7.64 -1.05 -4.91 113.62 106.59 2jgg n SER 497 Ca -0.13 1.16 -0.35 0.00 1.01 0.00 0.00 58.87 60.56 2jgg n SER 497 Cb 0.44 -1.16 0.05 0.00 -1.01 0.00 0.00 64.21 62.54 2jgg n SER 497 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2jgg s PRO 498 N -1.28 2.70 0.20 1.43 0.02 -1.26 -4.99 135.00 131.82 2jgg s PRO 498 Ca 0.62 1.75 -0.16 0.00 0.02 0.00 0.00 61.00 63.23 2jgg s PRO 498 Cb -0.80 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 31.74 2jgg s PRO 498 CO 0.58 -1.40 0.63 -0.65 -0.33 0.00 0.00 177.00 175.83 2jgg s GLN 499 N -3.60 4.07 -0.47 5.54 -1.52 -1.26 -4.89 119.66 117.53 2jgg s GLN 499 Ca 0.75 0.63 -0.20 0.00 -1.95 0.00 0.00 55.36 54.60 2jgg s GLN 499 Cb -0.29 -2.85 0.04 0.00 -0.22 0.00 0.00 33.01 29.69 2jgg s GLN 499 CO 0.38 0.41 0.63 -0.46 -0.25 0.00 0.00 175.29 176.00 2jgg s TRP 500 N -1.55 3.05 0.36 0.91 -0.11 -1.26 -4.90 118.94 115.43 2jgg s TRP 500 Ca 0.42 -0.30 -0.17 0.00 1.22 0.00 0.00 56.10 57.27 2jgg s TRP 500 Cb -0.15 -3.42 -0.10 0.00 -1.50 0.00 0.00 33.47 28.31 2jgg s TRP 500 CO 0.20 -0.95 0.81 -1.25 -4.62 0.00 0.00 176.95 171.14 2jgg s PRO 501 N 2.73 4.10 0.33 5.86 0.04 -1.26 -4.90 135.00 141.89 2jgg s PRO 501 Ca 0.19 0.84 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 2jgg s PRO 501 Cb -0.16 -2.37 -0.13 0.00 0.04 0.00 0.00 34.50 31.88 2jgg s PRO 501 CO 0.15 0.10 1.23 -2.30 0.04 0.00 0.00 177.00 176.23 2jgg n PRO 502 N -0.41 1.97 -1.90 0.56 -0.02 -1.26 -4.68 135.00 129.25 2jgg n PRO 502 Ca 0.04 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 2jgg n PRO 502 Cb 0.53 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2jgg n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jgg s TYR 503 N -1.07 1.72 0.05 6.00 6.14 0.18 -4.55 117.35 125.82 2jgg s TYR 503 Ca 0.56 0.29 0.03 0.00 0.64 0.00 0.00 57.07 58.60 2jgg s TYR 503 Cb -0.60 -4.02 -0.04 0.00 0.42 0.00 0.00 41.96 37.72 2jgg s TYR 503 CO 0.62 -3.83 0.02 0.95 0.64 0.00 0.00 175.55 173.95 2jgg s THR 504 N 5.59 4.23 0.29 4.34 -4.23 -1.26 -4.48 115.64 120.11 2jgg s THR 504 Ca 0.81 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 60.57 2jgg s THR 504 Cb -0.31 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 70.83 2jgg s THR 504 CO 0.33 0.21 1.72 0.00 -0.54 0.00 0.00 174.62 176.35 2jgg h THR 505 N 3.02 0.56 0.02 3.99 1.03 -1.92 0.67 112.91 120.28 2jgg h THR 505 Ca -0.48 -0.17 -0.14 0.00 -0.01 0.00 0.00 66.41 65.61 2jgg h THR 505 Cb 1.17 0.03 0.01 0.00 -1.07 0.00 0.00 68.15 68.29 2jgg h THR 505 CO 0.61 0.09 -0.57 0.00 -0.01 0.00 0.00 175.52 175.63 2jgg h ALA 506 N 1.66 0.05 0.00 0.00 0.00 -2.00 -3.38 119.26 115.60 2jgg h ALA 506 Ca 0.54 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jgg h ALA 506 Cb 0.95 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jgg h ALA 506 CO -0.47 0.31 -1.65 0.00 0.00 0.00 0.00 179.25 177.44 2jgg n ALA 507 N -2.59 2.59 -4.01 0.00 0.00 -1.17 -5.00 120.51 110.32 2jgg n ALA 507 Ca -0.11 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.57 2jgg n ALA 507 Cb 0.67 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 2jgg n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jgg n GLN 508 N -2.46 -3.91 -3.20 0.00 6.02 0.23 -4.34 117.38 109.72 2jgg n GLN 508 Ca -0.05 0.46 -0.36 0.00 -0.01 0.00 0.00 57.00 57.05 2jgg n GLN 508 Cb 0.61 -4.99 -0.06 0.00 1.02 0.00 0.00 30.24 26.83 2jgg n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jgg s GLN 509 N -6.63 4.14 0.14 -1.09 -0.21 -1.26 0.02 119.66 114.76 2jgg s GLN 509 Ca 0.39 0.71 -0.13 0.00 0.02 0.00 0.00 55.36 56.35 2jgg s GLN 509 Cb -0.20 -2.89 0.02 0.00 1.00 0.00 0.00 33.01 30.94 2jgg s GLN 509 CO 0.88 0.42 0.36 1.52 -2.12 0.00 0.00 175.29 176.35 2jgg s TYR 510 N -1.51 0.02 0.33 0.91 1.13 -0.13 -3.75 117.35 114.35 2jgg s TYR 510 Ca 0.41 -0.38 0.08 0.00 -1.41 0.00 0.00 57.07 55.77 2jgg s TYR 510 Cb -0.16 0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.82 2jgg s TYR 510 CO 0.20 -0.72 0.22 0.14 -2.51 0.00 0.00 175.55 172.88 2jgg s VAL 511 N -3.87 3.40 -0.14 -3.49 -7.23 -0.28 -0.57 120.40 108.22 2jgg s VAL 511 Ca 0.08 -1.52 -0.07 0.00 -1.81 0.00 0.00 61.98 58.66 2jgg s VAL 511 Cb 0.02 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 2jgg s VAL 511 CO -0.07 -0.20 0.12 -0.94 -0.31 0.00 0.00 175.10 173.70 2jgg s SER 512 N -3.91 6.20 -0.35 4.85 1.04 -0.56 -1.59 113.70 119.39 2jgg s SER 512 Ca 0.39 0.36 -0.05 0.00 0.48 0.00 0.00 55.95 57.13 2jgg s SER 512 Cb -0.05 -2.02 0.05 0.00 0.10 0.00 0.00 66.02 64.11 2jgg s SER 512 CO 0.25 0.34 0.11 -0.76 0.98 0.00 0.00 173.24 174.15 2jgg s LEU 513 N -0.62 4.40 0.00 2.42 1.43 -0.61 -4.14 118.68 121.56 2jgg s LEU 513 Ca 0.13 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2jgg s LEU 513 Cb -0.12 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2jgg s LEU 513 CO 0.02 -0.35 0.00 -0.46 0.23 0.00 0.00 176.35 175.79 2jgg n ASN 514 N 4.76 0.00 0.26 2.29 0.23 -1.26 -0.38 115.26 121.16 2jgg n ASN 514 Ca -0.11 -0.34 0.16 0.00 -0.53 0.00 0.00 54.58 53.76 2jgg n ASN 514 Cb 0.44 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.73 2jgg n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jgg h LEU 515 N 0.00 0.00-10.31 -4.53 3.38 -1.95 -3.44 115.31 98.46 2jgg h LEU 515 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2jgg h LEU 515 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 2jgg h LEU 515 CO 0.00 0.00 0.08 -0.54 0.09 0.00 0.00 178.44 178.07 2jgg s LYS 516 N -3.57 3.47 0.96 1.13 1.02 -1.26 -5.03 119.74 116.46 2jgg s LYS 516 Ca 0.02 0.11 -0.11 0.00 0.02 0.00 0.00 55.97 56.01 2jgg s LYS 516 Cb 0.08 -2.40 0.17 0.00 -0.52 0.00 0.00 37.83 35.16 2jgg s LYS 516 CO 0.56 -0.21 1.11 -2.14 -0.92 0.00 0.00 175.35 173.74 2jgg s PRO 517 N -4.71 0.64 -0.05 -1.68 0.02 -1.26 -4.85 135.00 123.11 2jgg s PRO 517 Ca 0.47 1.30 -0.36 0.00 0.02 0.00 0.00 61.00 62.44 2jgg s PRO 517 Cb -0.10 -1.70 -0.14 0.00 0.02 0.00 0.00 34.50 32.58 2jgg s PRO 517 CO 0.44 -2.81 1.72 1.28 -0.33 0.00 0.00 177.00 177.31 2jgg n LEU 518 N -4.33 2.94 -4.52 -5.54 4.77 -1.26 -4.95 117.00 104.11 2jgg n LEU 518 Ca 0.09 1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 56.77 2jgg n LEU 518 Cb 0.53 -1.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.19 2jgg n LEU 518 CO 0.52 -0.30 -0.34 -0.70 -1.33 0.00 0.00 177.39 175.24 2jgg s GLU 519 N 2.85 3.69 -0.09 3.23 2.12 -1.26 -4.86 118.70 124.38 2jgg s GLU 519 Ca 0.90 -0.50 -0.23 0.00 0.36 0.00 0.00 54.97 55.50 2jgg s GLU 519 Cb -0.80 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2jgg s GLU 519 CO 0.51 0.26 0.69 0.08 -0.54 0.00 0.00 175.26 176.26 2jgg s VAL 520 N 0.32 5.05 0.25 3.70 1.01 -1.26 -1.49 120.40 127.98 2jgg s VAL 520 Ca -0.03 1.40 0.11 0.00 0.00 0.00 0.00 61.98 63.46 2jgg s VAL 520 Cb -0.14 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2jgg s VAL 520 CO 0.03 0.23 -0.19 -0.13 0.00 0.00 0.00 175.10 175.04 2jgg s ARG 521 N 0.95 1.56 -0.05 2.72 0.52 0.26 -4.97 118.95 119.94 2jgg s ARG 521 Ca 0.36 -1.69 0.06 0.00 -0.52 0.00 0.00 55.73 53.94 2jgg s ARG 521 Cb -0.17 -1.60 -0.02 0.00 0.52 0.00 0.00 34.95 33.68 2jgg s ARG 521 CO 0.17 0.30 -0.22 1.03 0.02 0.00 0.00 175.30 176.59 2jgg s ARG 522 N -3.43 2.46 0.08 3.54 0.52 -1.26 -0.96 118.95 119.90 2jgg s ARG 522 Ca 0.27 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 2jgg s ARG 522 Cb -0.04 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.23 2jgg s ARG 522 CO 0.12 0.47 0.00 0.41 0.02 0.00 0.00 175.30 176.32 2jgg n GLY 523 N 2.71 -4.41 3.43 -3.53 0.00 0.10 -4.91 105.19 98.59 2jgg n GLY 523 Ca -0.17 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 2jgg n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jgg s LEU 524 N -0.24 4.95 -0.96 0.99 2.96 -1.26 -4.32 118.68 120.81 2jgg s LEU 524 Ca 0.00 -1.59 -0.24 0.00 -0.22 0.00 0.00 54.13 52.09 2jgg s LEU 524 Cb 0.00 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.34 2jgg s LEU 524 CO 0.00 -1.19 0.56 0.54 -1.32 0.00 0.00 176.35 174.94 2jgg n ARG 525 N 6.81 -0.54 -0.08 1.98 5.12 -1.26 -4.76 116.66 123.93 2jgg n ARG 525 Ca 0.07 0.11 -0.11 0.00 -1.93 0.00 0.00 57.85 55.99 2jgg n ARG 525 Cb 0.46 -1.90 -0.04 0.00 -1.16 0.00 0.00 32.46 29.82 2jgg n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jgg h ALA 526 N 1.77 0.32 0.34 7.54 0.00 -1.93 -0.28 119.26 127.03 2jgg h ALA 526 Ca -0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 2jgg h ALA 526 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jgg h ALA 526 CO 0.41 0.02 -0.16 1.96 0.00 0.00 0.00 179.25 181.48 2jgg h GLN 527 N 0.21 -0.44 -0.31 0.00 1.08 -1.97 -2.20 115.11 111.47 2jgg h GLN 527 Ca 0.07 0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 2jgg h GLN 527 Cb 0.36 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 2jgg h GLN 527 CO 0.01 -0.24 -0.03 1.15 -0.95 0.00 0.00 178.83 178.77 2jgg h THR 528 N -0.54 1.20 0.00 -0.54 2.02 -1.94 -2.38 112.91 110.73 2jgg h THR 528 Ca -0.05 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.25 2jgg h THR 528 Cb 0.40 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2jgg h THR 528 CO 0.08 0.27 -0.37 0.00 0.37 0.00 0.00 175.52 175.87 2jgg h ALA 530 N 1.63 1.28 -0.20 0.00 0.00 -0.87 0.19 119.26 121.29 2jgg h ALA 530 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jgg h ALA 530 Cb 1.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2jgg h ALA 530 CO 0.05 0.55 0.13 0.35 0.00 0.00 0.00 179.25 180.33 2jgg h PHE 531 N 0.98 0.26 0.10 0.00 3.57 -1.24 -0.34 116.94 120.26 2jgg h PHE 531 Ca 0.24 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.46 2jgg h PHE 531 Cb 0.10 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 38.77 2jgg h PHE 531 CO 0.01 0.19 -1.19 -1.49 -2.23 0.00 0.00 178.31 173.60 2jgg h TRP 532 N 0.25 0.82 0.01 0.41 4.06 -1.16 -0.43 115.95 119.91 2jgg h TRP 532 Ca 0.07 -0.52 -0.32 0.00 2.06 0.00 0.00 58.89 60.19 2jgg h TRP 532 Cb 0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 28.04 2jgg h TRP 532 CO -0.05 1.37 -1.92 0.09 -3.56 0.00 0.00 178.44 174.36 2jgg n ASN 533 N -3.72 0.75 -0.11 -3.49 3.02 0.63 -4.13 115.26 108.20 2jgg n ASN 533 Ca -0.11 0.28 -0.18 0.00 -0.03 0.00 0.00 54.58 54.54 2jgg n ASN 533 Cb 0.97 0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 40.19 2jgg n ASN 533 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jgg n ARG 534 N -3.00 0.54 -0.09 3.52 1.74 -0.20 -4.70 116.66 114.46 2jgg n ARG 534 Ca -0.23 0.15 -0.19 0.00 -0.77 0.00 0.00 57.85 56.82 2jgg n ARG 534 Cb 1.08 -1.41 -0.12 0.00 -1.02 0.00 0.00 32.46 30.99 2jgg n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jgg h PHE 535 N -0.25 0.00 -0.92 -1.55 3.57 -1.25 -3.38 116.94 113.15 2jgg h PHE 535 Ca -0.52 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.02 2jgg h PHE 535 Cb 1.69 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.38 2jgg h PHE 535 CO -0.00 1.33 0.60 1.25 -2.23 0.00 0.00 178.31 179.26 2jgg h LEU 536 N -1.00 0.99 -0.21 0.59 7.12 -1.23 -0.99 115.31 120.58 2jgg h LEU 536 Ca -0.24 -0.01 0.06 0.00 0.13 0.00 0.00 57.88 57.82 2jgg h LEU 536 Cb 1.20 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 41.05 2jgg h LEU 536 CO -0.15 0.67 -0.19 -0.65 -0.13 0.00 0.00 178.44 177.99 2jgg h PRO 537 N 1.14 -0.20 0.00 5.25 0.11 -1.77 -2.07 132.00 134.46 2jgg h PRO 537 Ca 0.37 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 2jgg h PRO 537 Cb 0.04 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2jgg h PRO 537 CO -0.12 -0.13 -0.02 0.87 -0.21 0.00 0.00 178.00 178.39 2jgg h LYS 538 N -0.21 0.00 -0.00 1.05 1.57 -1.37 0.18 116.57 117.79 2jgg h LYS 538 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2jgg h LYS 538 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jgg h LYS 538 CO -0.33 0.02 -0.05 -0.11 -0.57 0.00 0.00 179.45 178.42 2jgg n LEU 539 N -3.56 0.18 -0.06 2.94 7.94 -0.82 -3.02 117.00 120.60 2jgg n LEU 539 Ca -0.03 0.17 -0.14 0.00 -1.11 0.00 0.00 56.01 54.90 2jgg n LEU 539 Cb 0.11 -0.24 -0.13 0.00 0.53 0.00 0.00 43.42 43.70 2jgg n LEU 539 CO 0.26 0.03 0.37 0.25 -1.11 0.00 0.00 177.39 177.19 2jgg h LEU 540 N 0.20 0.03 -8.34 -1.96 5.85 -0.20 -3.42 115.31 107.47 2jgg h LEU 540 Ca 0.00 -0.99 -0.11 0.00 0.84 0.00 0.00 57.88 57.62 2jgg h LEU 540 Cb 0.30 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jgg h LEU 540 CO 0.00 1.02 0.45 -1.20 -0.34 0.00 0.00 178.44 178.38 2jgg n SER 541 N -4.58 1.55 0.00 1.25 7.64 -1.13 -5.15 113.62 113.20 2jgg n SER 541 Ca -0.10 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.53 2jgg n SER 541 Cb 0.50 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2jgg n SER 541 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03