#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgl s ILE 2 N 0.00 3.25 -0.05 -0.39 1.01 -1.26 -4.92 121.20 118.85 1jgl s ILE 2 Ca 0.00 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.08 1jgl s ILE 2 Cb 0.00 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.22 1jgl s ILE 2 CO 0.00 -0.03 -0.13 -1.10 0.00 0.00 0.00 174.94 173.69 1jgl s GLN 3 N 3.90 1.50 -0.23 2.79 -0.21 -1.26 -4.98 119.66 121.16 1jgl s GLN 3 Ca 0.79 -0.43 -0.06 0.00 0.02 0.00 0.00 55.36 55.68 1jgl s GLN 3 Cb -0.38 -1.29 -0.02 0.00 1.00 0.00 0.00 33.01 32.32 1jgl s GLN 3 CO 0.34 0.11 0.03 -0.51 -2.12 0.00 0.00 175.29 173.14 1jgl s LEU 4 N 0.36 3.24 -0.13 2.90 1.43 -1.26 -1.08 118.68 124.14 1jgl s LEU 4 Ca -0.08 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1jgl s LEU 4 Cb -0.13 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1jgl s LEU 4 CO 0.02 -0.02 -0.08 -0.69 0.23 0.00 0.00 176.35 175.82 1jgl s VAL 5 N 1.51 3.58 0.24 -1.59 1.01 -0.46 -3.90 120.40 120.79 1jgl s VAL 5 Ca 0.06 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1jgl s VAL 5 Cb -0.15 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1jgl s VAL 5 CO 0.01 0.53 0.12 -1.10 0.00 0.00 0.00 175.10 174.66 1jgl s GLN 6 N 0.08 2.71 0.82 2.72 -0.21 -1.26 -0.29 119.66 124.22 1jgl s GLN 6 Ca -0.02 -1.14 -0.11 0.00 0.02 0.00 0.00 55.36 54.11 1jgl s GLN 6 Cb -0.14 -2.45 0.08 0.00 1.00 0.00 0.00 33.01 31.51 1jgl s GLN 6 CO 0.03 0.41 1.09 -1.54 -2.12 0.00 0.00 175.29 173.16 1jgl s SER 7 N -3.63 4.11 1.28 5.90 1.04 -0.94 -5.00 113.70 116.45 1jgl s SER 7 Ca 0.32 1.77 -0.19 0.00 0.48 0.00 0.00 55.95 58.32 1jgl s SER 7 Cb -0.08 -2.44 0.31 0.00 0.10 0.00 0.00 66.02 63.92 1jgl s SER 7 CO 0.23 -2.28 1.02 -0.83 0.98 0.00 0.00 173.24 172.36 1jgl s GLY 8 N -3.34 1.50 0.50 7.32 0.00 -1.26 -4.71 107.32 107.33 1jgl s GLY 8 Ca 0.62 -0.71 -0.21 0.00 0.00 0.00 0.00 44.72 44.41 1jgl s GLY 8 CO 0.56 0.18 0.86 -1.55 0.00 0.00 0.00 173.10 173.15 1jgl n PRO 9 N -5.12 0.99 -4.90 2.90 -0.04 -1.26 -4.75 135.00 122.82 1jgl n PRO 9 Ca 0.10 0.37 -0.27 0.00 -0.04 0.00 0.00 63.50 63.66 1jgl n PRO 9 Cb 0.59 -1.96 -0.15 0.00 -0.04 0.00 0.00 33.50 31.94 1jgl n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jgl s GLU 10 N -2.18 1.62 -0.14 0.54 0.41 0.06 -4.99 118.70 114.02 1jgl s GLU 10 Ca 0.68 -0.86 -0.01 0.00 -0.41 0.00 0.00 54.97 54.37 1jgl s GLU 10 Cb -0.50 -1.65 0.04 0.00 -1.78 0.00 0.00 34.13 30.24 1jgl s GLU 10 CO 0.54 0.44 -0.04 -1.17 -0.49 0.00 0.00 175.26 174.54 1jgl s LEU 11 N -0.81 1.30 0.21 1.80 2.96 -1.26 -1.45 118.68 121.43 1jgl s LEU 11 Ca 0.08 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1jgl s LEU 11 Cb -0.09 -0.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 1jgl s LEU 11 CO 0.00 -0.19 0.03 -0.54 -1.32 0.00 0.00 176.35 174.33 1jgl s LYS 12 N 1.73 1.23 0.08 1.98 -0.14 -0.05 -4.99 119.74 119.58 1jgl s LYS 12 Ca 0.02 -1.62 0.03 0.00 -1.36 0.00 0.00 55.97 53.04 1jgl s LYS 12 Cb -0.14 -0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 35.66 1jgl s LYS 12 CO -0.07 -0.18 0.10 0.15 -0.76 0.00 0.00 175.35 174.59 1jgl s LYS 13 N -3.94 2.95 0.09 1.68 1.02 -1.26 -1.34 119.74 118.95 1jgl s LYS 13 Ca 0.29 -0.66 -0.36 0.00 0.02 0.00 0.00 55.97 55.25 1jgl s LYS 13 Cb 0.06 -2.77 -0.17 0.00 -0.52 0.00 0.00 37.83 34.44 1jgl s LYS 13 CO 0.07 0.57 1.23 -2.30 -0.92 0.00 0.00 175.35 174.00 1jgl n PRO 14 N 0.41 0.91 0.00 -1.68 -0.02 -1.26 -1.48 135.00 131.87 1jgl n PRO 14 Ca -0.08 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1jgl n PRO 14 Cb 0.52 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1jgl n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jgl n GLY 15 N 2.20 1.88 2.82 -1.23 0.00 0.15 -4.91 105.19 106.10 1jgl n GLY 15 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1jgl n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jgl n GLU 16 N -2.00 -0.71 -4.75 1.61 1.02 -0.55 -3.96 120.64 111.31 1jgl n GLU 16 Ca 0.00 -1.61 -0.28 0.00 -0.02 0.00 0.00 57.16 55.25 1jgl n GLU 16 Cb 0.00 -0.88 -0.14 0.00 -0.02 0.00 0.00 31.44 30.40 1jgl n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1jgl s THR 17 N -2.91 1.92 0.01 2.62 2.01 -1.26 -1.89 115.64 116.14 1jgl s THR 17 Ca 0.53 -1.32 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1jgl s THR 17 Cb -0.02 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 1jgl s THR 17 CO 0.37 0.27 -0.03 0.54 -0.69 0.00 0.00 174.62 175.08 1jgl s VAL 18 N -0.82 0.21 -0.13 3.82 0.11 -0.55 -5.00 120.40 118.04 1jgl s VAL 18 Ca 0.10 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 1jgl s VAL 18 Cb -0.09 -0.25 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 1jgl s VAL 18 CO 0.02 -0.16 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.32 1jgl s ARG 19 N -0.65 2.58 -0.18 1.54 0.52 -1.26 -1.39 118.95 120.11 1jgl s ARG 19 Ca -0.05 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1jgl s ARG 19 Cb -0.05 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 1jgl s ARG 19 CO -0.00 -0.06 -0.09 0.42 0.02 0.00 0.00 175.30 175.59 1jgl s ILE 20 N 0.97 3.16 0.20 1.52 1.01 -0.38 -4.95 121.20 122.73 1jgl s ILE 20 Ca -0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 1jgl s ILE 20 Cb -0.15 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1jgl s ILE 20 CO -0.03 0.47 0.40 -0.94 0.00 0.00 0.00 174.94 174.84 1jgl s SER 21 N 1.05 6.39 -0.23 3.58 1.04 -1.26 -1.08 113.70 123.19 1jgl s SER 21 Ca -0.00 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.81 1jgl s SER 21 Cb -0.15 -2.02 0.08 0.00 0.10 0.00 0.00 66.02 64.03 1jgl s SER 21 CO -0.01 -0.05 0.09 0.00 0.98 0.00 0.00 173.24 174.25 1jgl s LYS 23 N 2.02 3.72 0.05 0.00 2.20 0.61 -0.41 119.74 127.93 1jgl s LYS 23 Ca 0.04 -0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 55.04 1jgl s LYS 23 Cb -0.16 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 1jgl s LYS 23 CO -0.19 -0.05 0.49 0.00 -0.36 0.00 0.00 175.35 175.24 1jgl s ALA 24 N 1.24 3.64 0.22 3.13 0.00 -1.23 -1.35 121.76 127.41 1jgl s ALA 24 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.81 1jgl s ALA 24 Cb -0.14 -2.50 0.29 0.00 0.00 0.00 0.00 23.12 20.77 1jgl s ALA 24 CO 0.03 0.45 1.79 0.66 0.00 0.00 0.00 175.76 178.69 1jgl h SER 25 N 4.45 0.50 0.00 0.00 4.64 -1.46 -3.41 113.55 118.28 1jgl h SER 25 Ca -0.50 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1jgl h SER 25 Cb 1.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1jgl h SER 25 CO 0.63 0.31 0.00 0.47 -0.87 0.00 0.00 176.83 177.37 1jgl n ASP 26 N -4.83 0.00 0.00 4.97 8.00 -1.26 -4.98 116.55 118.46 1jgl n ASP 26 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1jgl n ASP 26 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1jgl n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jgl n TYR 27 N 0.00 0.00 0.00 1.24 0.18 -1.26 -4.52 117.16 112.80 1jgl n TYR 27 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1jgl n TYR 27 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1jgl n TYR 27 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1jgl n MET 30 N -1.13 0.00 0.03 -3.48 2.00 -1.26 -5.06 117.12 108.22 1jgl n MET 30 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 1jgl n MET 30 Cb 0.00 -1.67 0.37 0.00 0.00 0.00 0.00 33.22 31.92 1jgl n MET 30 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1jgl h THR 31 N 0.00 1.15 0.00 2.03 2.02 -1.97 -3.42 112.91 112.72 1jgl h THR 31 Ca 0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1jgl h THR 31 Cb 0.00 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1jgl h THR 31 CO 0.00 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.55 1jgl n SER 32 N -4.36 0.00 0.00 4.18 3.41 -1.26 -5.09 113.62 110.50 1jgl n SER 32 Ca 0.01 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1jgl n SER 32 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1jgl n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jgl n GLY 33 N 0.00 2.07 3.40 5.00 0.00 -1.26 -4.83 105.19 109.57 1jgl n GLY 33 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 1jgl n GLY 33 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jgl s MET 34 N -3.00 1.51 0.08 1.61 0.00 -1.00 -4.20 119.30 114.30 1jgl s MET 34 Ca 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 55.69 54.10 1jgl s MET 34 Cb 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 34.83 35.18 1jgl s MET 34 CO 0.00 -0.58 0.05 1.14 0.00 0.00 0.00 175.02 175.62 1jgl s GLN 35 N -3.83 0.74 0.04 3.16 -2.07 0.60 -0.03 119.66 118.27 1jgl s GLN 35 Ca 0.32 -1.20 0.08 0.00 -1.82 0.00 0.00 55.36 52.74 1jgl s GLN 35 Cb 0.02 0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 1jgl s GLN 35 CO 0.14 -0.18 -0.24 -1.58 -1.32 0.00 0.00 175.29 172.11 1jgl s TRP 36 N -3.93 2.09 0.01 9.60 0.52 -0.70 -0.70 118.94 125.84 1jgl s TRP 36 Ca 0.10 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.85 1jgl s TRP 36 Cb 0.07 -1.26 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1jgl s TRP 36 CO -0.08 0.10 -0.08 0.08 0.02 0.00 0.00 176.95 176.98 1jgl s VAL 37 N -0.78 0.65 -0.01 4.03 1.01 0.79 -1.82 120.40 124.26 1jgl s VAL 37 Ca 0.10 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1jgl s VAL 37 Cb -0.09 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1jgl s VAL 37 CO 0.02 0.03 -0.04 -1.58 0.00 0.00 0.00 175.10 173.53 1jgl s GLN 38 N -0.59 2.69 -0.24 2.72 0.74 0.11 -0.38 119.66 124.72 1jgl s GLN 38 Ca 0.00 -0.64 -0.04 0.00 0.05 0.00 0.00 55.36 54.73 1jgl s GLN 38 Cb -0.05 -2.59 0.08 0.00 1.10 0.00 0.00 33.01 31.55 1jgl s GLN 38 CO 0.00 0.63 0.12 -1.14 -0.55 0.00 0.00 175.29 174.35 1jgl s GLN 39 N -1.34 0.14 0.50 1.67 0.74 -0.18 -0.45 119.66 120.73 1jgl s GLN 39 Ca 0.17 -0.33 -0.20 0.00 0.05 0.00 0.00 55.36 55.06 1jgl s GLN 39 Cb -0.11 -1.42 -0.08 0.00 1.10 0.00 0.00 33.01 32.49 1jgl s GLN 39 CO 0.07 -0.87 1.05 -1.64 -0.55 0.00 0.00 175.29 173.35 1jgl s MET 40 N 2.13 3.71 -0.32 1.67 -1.94 -1.26 -1.20 119.30 122.09 1jgl s MET 40 Ca 0.06 1.39 -0.43 0.00 -1.71 0.00 0.00 55.69 55.00 1jgl s MET 40 Cb -0.16 -2.08 -0.18 0.00 2.01 0.00 0.00 34.83 34.42 1jgl s MET 40 CO -0.25 -0.51 1.60 -0.35 -0.01 0.00 0.00 175.02 175.50 1jgl n PRO 41 N -1.07 0.58 -0.80 2.03 -0.04 -1.26 0.02 135.00 134.47 1jgl n PRO 41 Ca 0.10 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1jgl n PRO 41 Cb 0.52 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1jgl n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jgl n GLY 42 N 3.78 0.43 4.00 0.55 0.00 -1.26 -4.99 105.19 107.71 1jgl n GLY 42 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 1jgl n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgl s LYS 43 N -0.63 2.38 0.96 1.61 -0.14 0.10 -5.13 119.74 118.90 1jgl s LYS 43 Ca 0.00 -1.64 -0.15 0.00 -1.36 0.00 0.00 55.97 52.82 1jgl s LYS 43 Cb 0.00 -2.56 0.21 0.00 -1.68 0.00 0.00 37.83 33.80 1jgl s LYS 43 CO 0.00 -0.71 1.32 0.20 -0.76 0.00 0.00 175.35 175.39 1jgl s GLY 44 N -4.54 1.81 0.28 -3.33 0.00 -1.26 -4.62 107.32 95.66 1jgl s GLY 44 Ca 0.56 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.63 1jgl s GLY 44 CO 0.35 -0.56 1.00 1.08 0.00 0.00 0.00 173.10 174.97 1jgl s LEU 45 N -5.87 4.52 -0.06 0.66 1.43 -1.26 -4.29 118.68 113.81 1jgl s LEU 45 Ca 0.75 2.04 -0.01 0.00 -1.03 0.00 0.00 54.13 55.88 1jgl s LEU 45 Cb -0.03 -3.73 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1jgl s LEU 45 CO 0.53 -0.03 0.00 -0.75 0.23 0.00 0.00 176.35 176.33 1jgl s LYS 46 N -1.52 0.52 -0.02 1.70 2.20 0.40 -4.99 119.74 118.03 1jgl s LYS 46 Ca 0.45 0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.87 1jgl s LYS 46 Cb -0.26 -0.86 -0.05 0.00 -1.51 0.00 0.00 37.83 35.15 1jgl s LYS 46 CO 0.33 -0.27 1.31 -0.46 -0.36 0.00 0.00 175.35 175.90 1jgl s TRP 47 N 1.79 3.02 -0.12 4.03 -0.00 -1.26 0.04 118.94 126.45 1jgl s TRP 47 Ca 0.02 1.00 -0.16 0.00 -0.00 0.00 0.00 56.10 56.96 1jgl s TRP 47 Cb -0.13 -3.55 -0.26 0.00 -0.00 0.00 0.00 33.47 29.53 1jgl s TRP 47 CO -0.04 -1.93 0.51 0.82 -0.00 0.00 0.00 176.95 176.30 1jgl h ILE 48 N 4.94 1.00 0.00 5.86 2.04 -1.71 -3.42 117.51 126.21 1jgl h ILE 48 Ca -0.36 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.13 1jgl h ILE 48 Cb 1.17 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.91 1jgl h ILE 48 CO 0.89 0.68 0.00 0.61 0.00 0.00 0.00 178.15 180.33 1jgl n GLY 49 N 1.73 -2.52 3.13 5.37 0.00 -1.21 -0.43 105.19 111.26 1jgl n GLY 49 Ca -0.26 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1jgl n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1jgl s TRP 50 N -2.19 0.70 -0.18 1.61 1.48 -0.18 -1.71 118.94 118.47 1jgl s TRP 50 Ca 0.00 -0.97 0.01 0.00 -1.06 0.00 0.00 56.10 54.08 1jgl s TRP 50 Cb 0.00 -0.45 0.03 0.00 -1.16 0.00 0.00 33.47 31.89 1jgl s TRP 50 CO 0.00 -0.25 -0.17 -1.17 -4.06 0.00 0.00 176.95 171.30 1jgl s LEU 51 N -2.92 2.13 -1.08 -4.66 2.96 0.96 -0.78 118.68 115.29 1jgl s LEU 51 Ca 0.09 -0.69 -0.22 0.00 -0.22 0.00 0.00 54.13 53.08 1jgl s LEU 51 Cb 0.06 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.39 1jgl s LEU 51 CO -0.07 -0.05 1.70 0.21 -1.32 0.00 0.00 176.35 176.82 1jgl s ASN 52 N 1.34 6.07 0.64 3.68 3.84 -0.22 -2.36 114.94 127.93 1jgl s ASN 52 Ca 0.03 -1.53 0.21 0.00 0.21 0.00 0.00 52.86 51.78 1jgl s ASN 52 Cb -0.14 -2.57 1.14 0.00 -0.55 0.00 0.00 41.25 39.13 1jgl s ASN 52 CO -0.11 -1.93 1.63 0.71 -2.79 0.00 0.00 177.10 174.61 1jgl h THR 52 N 6.54 0.00 0.04 -5.21 1.35 -1.88 0.48 112.91 114.23 1jgl h THR 52 Ca 0.24 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.09 1jgl h THR 52 Cb 0.97 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1jgl h THR 52 CO 1.36 0.00 -0.02 -0.61 -0.25 0.00 0.00 175.52 176.00 1jgl h GLN 53 N 0.00 -0.06 -0.00 4.72 -0.00 -1.87 -3.36 115.11 114.54 1jgl h GLN 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1jgl h GLN 53 Cb 1.02 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.51 1jgl h GLN 53 CO 0.00 0.27 -0.28 -1.13 0.00 0.00 0.00 178.83 177.69 1jgl n SER 54 N -4.77 0.34 0.00 -0.69 3.41 -0.80 -4.91 113.62 106.20 1jgl n SER 54 Ca -0.04 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1jgl n SER 54 Cb 0.17 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1jgl n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jgl n GLY 55 N 1.47 0.69 3.71 5.00 0.00 0.16 -4.99 105.19 111.24 1jgl n GLY 55 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1jgl n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgl s VAL 56 N -3.04 5.04 0.21 1.61 1.01 -1.21 -4.83 120.40 119.18 1jgl s VAL 56 Ca 0.00 1.47 0.05 0.00 0.00 0.00 0.00 61.98 63.49 1jgl s VAL 56 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1jgl s VAL 56 CO 0.00 0.24 0.28 -2.16 0.00 0.00 0.00 175.10 173.46 1jgl s PRO 57 N 0.85 3.27 -0.06 2.72 0.04 -1.26 -1.06 135.00 139.51 1jgl s PRO 57 Ca 0.38 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.64 1jgl s PRO 57 Cb -0.18 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.57 1jgl s PRO 57 CO 0.18 0.46 -0.04 -1.21 0.04 0.00 0.00 177.00 176.43 1jgl s GLU 58 N -3.62 0.90 0.12 4.56 2.02 0.04 -4.98 118.70 117.75 1jgl s GLU 58 Ca 0.34 -0.09 0.08 0.00 0.02 0.00 0.00 54.97 55.31 1jgl s GLU 58 Cb -0.10 -0.97 -0.04 0.00 0.10 0.00 0.00 34.13 33.13 1jgl s GLU 58 CO 0.27 -0.14 -0.11 0.71 0.02 0.00 0.00 175.26 176.02 1jgl s TYR 59 N 1.20 2.69 0.31 1.61 2.02 -1.26 -1.01 117.35 122.91 1jgl s TYR 59 Ca -0.06 -0.19 -0.26 0.00 -0.37 0.00 0.00 57.07 56.19 1jgl s TYR 59 Cb -0.14 -1.39 -0.10 0.00 -0.40 0.00 0.00 41.96 39.94 1jgl s TYR 59 CO -0.02 0.44 0.94 0.00 -1.57 0.00 0.00 175.55 175.35 1jgl s ALA 60 N -1.32 3.23 0.15 3.71 0.00 0.43 -4.86 121.76 123.09 1jgl s ALA 60 Ca 0.22 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.57 1jgl s ALA 60 Cb -0.10 -3.18 0.13 0.00 0.00 0.00 0.00 23.12 19.96 1jgl s ALA 60 CO 0.14 0.18 1.04 -1.91 0.00 0.00 0.00 175.76 175.21 1jgl n GLU 61 N 0.65 -0.18 0.00 0.00 4.07 -1.26 -0.27 120.64 123.65 1jgl n GLU 61 Ca 0.01 1.03 0.04 0.00 -0.06 0.00 0.00 57.16 58.19 1jgl n GLU 61 Cb 0.50 -1.53 0.21 0.00 -0.06 0.00 0.00 31.44 30.56 1jgl n GLU 61 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1jgl n ASP 62 N -4.97 0.00 -0.02 4.31 10.43 -1.26 -2.81 116.55 122.24 1jgl n ASP 62 Ca 0.06 0.33 0.03 0.00 2.57 0.00 0.00 54.79 57.78 1jgl n ASP 62 Cb 0.25 -0.39 -0.04 0.00 1.84 0.00 0.00 41.12 42.78 1jgl n ASP 62 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1jgl n PHE 63 N -1.39 0.00 -1.89 1.24 3.72 0.62 -4.99 117.46 114.77 1jgl n PHE 63 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1jgl n PHE 63 Cb 0.09 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 1jgl n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1jgl s LYS 64 N -1.62 4.19 0.00 -1.08 1.02 -1.12 -2.47 119.74 118.67 1jgl s LYS 64 Ca 0.03 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1jgl s LYS 64 Cb 0.05 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 1jgl s LYS 64 CO 0.28 -0.57 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 1jgl n GLY 65 N 2.76 2.99 0.08 -3.33 0.00 -1.26 -4.77 105.19 101.66 1jgl n GLY 65 Ca 0.10 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.41 1jgl n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgl n ARG 66 N 0.00 1.21 -5.03 1.61 1.74 -1.22 -4.94 116.66 110.03 1jgl n ARG 66 Ca 0.00 -0.18 -0.32 0.00 -0.77 0.00 0.00 57.85 56.58 1jgl n ARG 66 Cb 0.00 -1.34 -0.16 0.00 -1.02 0.00 0.00 32.46 29.94 1jgl n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jgl s PHE 67 N -2.57 2.66 -0.01 -1.55 0.40 -1.03 -4.00 117.98 111.89 1jgl s PHE 67 Ca 0.08 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 1jgl s PHE 67 Cb 0.14 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.91 1jgl s PHE 67 CO 0.68 -0.30 -0.03 0.00 0.70 0.00 0.00 175.22 176.26 1jgl s ALA 68 N 0.29 0.27 -0.05 5.36 0.00 0.42 -4.82 121.76 123.23 1jgl s ALA 68 Ca -0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 1jgl s ALA 68 Cb -0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1jgl s ALA 68 CO 0.07 0.05 0.16 -0.06 0.00 0.00 0.00 175.76 175.98 1jgl s PHE 69 N 0.05 3.55 0.24 0.00 0.08 -1.26 -0.44 117.98 120.21 1jgl s PHE 69 Ca -0.00 0.42 -0.06 0.00 0.12 0.00 0.00 56.93 57.41 1jgl s PHE 69 Cb -0.03 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1jgl s PHE 69 CO -0.00 0.68 0.32 -1.54 -0.10 0.00 0.00 175.22 174.58 1jgl s SER 70 N -1.55 0.22 -0.17 1.36 1.04 -0.82 -5.00 113.70 108.79 1jgl s SER 70 Ca 0.22 -1.23 -0.09 0.00 0.48 0.00 0.00 55.95 55.33 1jgl s SER 70 Cb -0.12 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.57 1jgl s SER 70 CO 0.12 -1.03 0.39 -0.22 0.98 0.00 0.00 173.24 173.49 1jgl s LEU 71 N -3.12 -0.09 0.00 2.42 2.96 -1.26 -1.23 118.68 118.36 1jgl s LEU 71 Ca 0.31 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1jgl s LEU 71 Cb 0.03 1.28 0.00 0.00 0.50 0.00 0.00 46.19 48.00 1jgl s LEU 71 CO 0.13 -0.19 0.00 -0.62 -1.32 0.00 0.00 176.35 174.34 1jgl n GLU 72 N 4.35 2.42 -4.16 1.98 1.02 -1.26 -4.98 120.64 120.01 1jgl n GLU 72 Ca -0.22 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.75 1jgl n GLU 72 Cb 0.55 -0.79 -0.12 0.00 -0.02 0.00 0.00 31.44 31.06 1jgl n GLU 72 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1jgl s THR 76 N -1.38 0.91 -0.02 2.62 -4.23 -1.26 -4.99 115.64 107.29 1jgl s THR 76 Ca 0.00 -1.16 0.07 0.00 -1.18 0.00 0.00 61.69 59.42 1jgl s THR 76 Cb 0.00 -0.90 -0.02 0.00 1.34 0.00 0.00 72.50 72.92 1jgl s THR 76 CO 0.00 -0.23 -0.24 -0.89 -0.54 0.00 0.00 174.62 172.72 1jgl s THR 77 N -1.22 2.25 0.02 3.99 2.01 -1.26 -3.48 115.64 117.95 1jgl s THR 77 Ca -0.04 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.91 1jgl s THR 77 Cb -0.09 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1jgl s THR 77 CO 0.01 0.57 0.11 0.00 -0.69 0.00 0.00 174.62 174.62 1jgl s ALA 78 N -0.65 3.68 0.13 7.40 0.00 0.45 -4.42 121.76 128.35 1jgl s ALA 78 Ca 0.10 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1jgl s ALA 78 Cb -0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 1jgl s ALA 78 CO -0.01 0.73 -0.17 0.71 0.00 0.00 0.00 175.76 177.02 1jgl s TYR 79 N -1.29 1.61 -0.19 0.00 2.02 -0.36 0.14 117.35 119.28 1jgl s TYR 79 Ca 0.26 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1jgl s TYR 79 Cb -0.12 -0.84 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 1jgl s TYR 79 CO 0.18 0.21 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.18 1jgl s LEU 80 N -2.32 1.68 -0.15 -1.29 0.20 -0.24 -1.94 118.68 114.61 1jgl s LEU 80 Ca 0.09 -0.83 -0.03 0.00 0.69 0.00 0.00 54.13 54.06 1jgl s LEU 80 Cb -0.07 -0.86 -0.03 0.00 -0.43 0.00 0.00 46.19 44.81 1jgl s LEU 80 CO 0.04 -0.24 -0.05 -1.58 -0.29 0.00 0.00 176.35 174.24 1jgl s GLN 81 N 1.66 3.63 0.32 1.98 0.74 0.42 -1.25 119.66 127.16 1jgl s GLN 81 Ca -0.01 -0.54 0.08 0.00 0.05 0.00 0.00 55.36 54.94 1jgl s GLN 81 Cb -0.17 -2.88 -0.06 0.00 1.10 0.00 0.00 33.01 31.00 1jgl s GLN 81 CO -0.07 0.25 -0.06 0.42 -0.55 0.00 0.00 175.29 175.27 1jgl s ILE 82 N 0.33 1.92 -0.12 -2.34 1.01 -0.49 -0.43 121.20 121.08 1jgl s ILE 82 Ca -0.05 -2.14 -0.01 0.00 0.00 0.00 0.00 60.65 58.45 1jgl s ILE 82 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.72 1jgl s ILE 82 CO 0.03 -0.21 0.02 0.59 0.00 0.00 0.00 174.94 175.38 1jgl n ASN 82 N -0.72 -0.04 -4.59 3.58 4.13 -1.08 -1.49 115.26 115.06 1jgl n ASN 82 Ca -0.05 -0.09 -0.46 0.00 1.68 0.00 0.00 54.58 55.66 1jgl n ASN 82 Cb 0.64 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.74 1jgl n ASN 82 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1jgl n LEU 82 N -0.99 1.72 -4.48 3.41 4.77 -0.79 -4.52 117.00 116.12 1jgl n LEU 82 Ca -0.01 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.89 1jgl n LEU 82 Cb 0.04 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 39.77 1jgl n LEU 82 CO 0.06 -1.34 -0.47 -0.54 -1.33 0.00 0.00 177.39 173.77 1jgl s LYS 83 N -1.04 1.71 0.30 3.23 1.02 -1.26 0.34 119.74 124.04 1jgl s LYS 83 Ca 0.65 -1.71 0.04 0.00 0.02 0.00 0.00 55.97 54.96 1jgl s LYS 83 Cb -0.76 -1.81 0.64 0.00 -0.52 0.00 0.00 37.83 35.39 1jgl s LYS 83 CO 0.56 0.34 1.82 -0.91 -0.92 0.00 0.00 175.35 176.25 1jgl h ASN 84 N 2.37 0.85 0.04 2.83 4.21 -1.96 -0.50 115.58 123.43 1jgl h ASN 84 Ca -0.41 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.16 1jgl h ASN 84 Cb 1.25 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1jgl h ASN 84 CO 0.58 0.41 0.00 -0.62 -1.29 0.00 0.00 177.43 176.51 1jgl n GLU 85 N -4.66 0.02 0.00 0.81 4.71 -1.26 -1.02 120.64 119.24 1jgl n GLU 85 Ca 0.20 0.34 0.14 0.00 -0.01 0.00 0.00 57.16 57.84 1jgl n GLU 85 Cb 0.44 -1.50 0.59 0.00 -1.01 0.00 0.00 31.44 29.95 1jgl n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1jgl n ASP 86 N -1.37 0.59 -4.62 1.62 8.00 -0.20 -4.80 116.55 115.77 1jgl n ASP 86 Ca 0.01 -0.68 -0.43 0.00 0.71 0.00 0.00 54.79 54.40 1jgl n ASP 86 Cb 0.02 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1jgl n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jgl s THR 87 N -2.43 3.12 -0.02 -3.53 2.01 -0.19 -4.82 115.64 109.78 1jgl s THR 87 Ca 0.29 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.26 1jgl s THR 87 Cb 0.20 -3.13 0.05 0.00 0.01 0.00 0.00 72.50 69.63 1jgl s THR 87 CO 0.47 -0.06 0.75 0.00 -0.69 0.00 0.00 174.62 175.09 1jgl n ALA 88 N 9.78 -2.14 -2.74 7.40 0.00 -0.75 -4.46 120.51 127.60 1jgl n ALA 88 Ca 0.25 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 1jgl n ALA 88 Cb 0.44 0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1jgl n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jgl s THR 89 N -2.06 4.21 -0.09 0.00 2.01 -0.34 -0.16 115.64 119.21 1jgl s THR 89 Ca 0.18 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1jgl s THR 89 Cb -0.00 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 1jgl s THR 89 CO -0.01 0.57 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.03 1jgl s TYR 90 N -0.50 2.72 0.03 4.92 1.51 0.11 -1.01 117.35 125.14 1jgl s TYR 90 Ca 0.09 -0.47 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 1jgl s TYR 90 Cb -0.12 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1jgl s TYR 90 CO 0.02 -0.06 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.09 1jgl s PHE 91 N -0.13 2.35 0.10 2.71 0.08 0.49 -0.56 117.98 123.02 1jgl s PHE 91 Ca -0.02 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.70 1jgl s PHE 91 Cb -0.14 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1jgl s PHE 91 CO 0.04 0.11 -0.08 0.00 -0.10 0.00 0.00 175.22 175.19 1jgl s ALA 93 N -1.23 -1.01 0.28 0.00 0.00 0.12 -0.70 121.76 119.22 1jgl s ALA 93 Ca 0.22 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.80 1jgl s ALA 93 Cb -0.11 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1jgl s ALA 93 CO 0.14 -0.29 0.23 -2.37 0.00 0.00 0.00 175.76 173.48 1jgl n THR 94 N 1.19 0.00 -3.95 0.00 5.66 0.02 -0.29 114.28 116.90 1jgl n THR 94 Ca -0.21 -2.01 -0.09 0.00 -3.05 0.00 0.00 64.05 58.69 1jgl n THR 94 Cb 0.56 0.99 -0.04 0.00 -1.55 0.00 0.00 70.33 70.29 1jgl n THR 94 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1jgl s TRP 95 N -3.10 0.19 0.00 1.09 -2.14 -1.26 -0.28 118.94 113.45 1jgl s TRP 95 Ca 0.32 -0.58 0.00 0.00 2.66 0.00 0.00 56.10 58.50 1jgl s TRP 95 Cb 0.02 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.72 1jgl s TRP 95 CO 0.23 -1.05 0.00 0.41 -2.66 0.00 0.00 176.95 173.88 1jgl n GLY 96 N -0.40 1.82 7.00 3.67 0.00 -0.84 -4.70 105.19 111.74 1jgl n GLY 96 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1jgl n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgl n GLY 97 N -0.79 3.21 2.31 -0.02 0.00 -1.26 -1.95 105.19 106.69 1jgl n GLY 97 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1jgl n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jgl n ASN 98 N 3.49 5.72 -2.71 1.61 5.15 -1.26 -5.03 115.26 122.23 1jgl n ASN 98 Ca 0.00 -3.76 0.01 0.00 -0.60 0.00 0.00 54.58 50.23 1jgl n ASN 98 Cb 0.00 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 38.68 1jgl n ASN 98 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1jgl n SER 99 N -0.67 -0.87 -4.31 1.20 3.41 -0.82 -5.17 113.62 106.39 1jgl n SER 99 Ca 0.48 -1.28 -0.22 0.00 -0.26 0.00 0.00 58.87 57.58 1jgl n SER 99 Cb 0.74 1.37 -0.11 0.00 -0.26 0.00 0.00 64.21 65.94 1jgl n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgl s ALA 101 N -1.65 1.89 -0.15 7.33 0.00 -1.26 -1.98 121.76 125.95 1jgl s ALA 101 Ca 0.18 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 50.73 1jgl s ALA 101 Cb -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1jgl s ALA 101 CO 0.01 0.25 -0.07 0.71 0.00 0.00 0.00 175.76 176.66 1jgl s TYR 102 N -1.85 1.69 0.05 0.00 1.51 0.62 -4.97 117.35 114.41 1jgl s TYR 102 Ca 0.13 -0.99 0.03 0.00 -1.01 0.00 0.00 57.07 55.23 1jgl s TYR 102 Cb -0.07 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1jgl s TYR 102 CO 0.06 -0.59 0.01 -1.58 -1.11 0.00 0.00 175.55 172.33 1jgl s TRP 103 N 1.64 3.04 0.98 2.71 0.52 -1.26 -0.80 118.94 125.76 1jgl s TRP 103 Ca 0.03 0.03 -0.15 0.00 0.02 0.00 0.00 56.10 56.02 1jgl s TRP 103 Cb -0.14 -1.60 0.18 0.00 -1.15 0.00 0.00 33.47 30.76 1jgl s TRP 103 CO -0.08 0.47 1.20 0.20 0.02 0.00 0.00 176.95 178.76 1jgl s GLY 104 N -2.00 1.64 0.01 0.98 0.00 0.12 -4.59 107.32 103.49 1jgl s GLY 104 Ca 0.23 -0.84 0.23 0.00 0.00 0.00 0.00 44.72 44.34 1jgl s GLY 104 CO 0.15 -0.16 1.75 0.61 0.00 0.00 0.00 173.10 175.45 1jgl n GLN 105 N -3.92 0.01 0.00 2.90 0.00 -1.25 -4.79 117.38 110.32 1jgl n GLN 105 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 57.00 57.21 1jgl n GLN 105 Cb 0.60 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.33 1jgl n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jgl n GLY 106 N 0.90 0.74 2.87 2.61 0.00 -1.26 -5.04 105.19 106.02 1jgl n GLY 106 Ca 0.06 -1.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 1jgl n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jgl s THR 107 N -2.78 0.65 0.04 2.61 2.01 0.27 -4.85 115.64 113.59 1jgl s THR 107 Ca 0.00 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 1jgl s THR 107 Cb 0.00 -0.70 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 1jgl s THR 107 CO 0.00 0.28 0.58 0.42 -0.69 0.00 0.00 174.62 175.20 1jgl s THR 108 N 1.34 4.81 -0.05 -0.82 -4.23 -1.26 0.08 115.64 115.51 1jgl s THR 108 Ca -0.04 1.22 0.04 0.00 -1.18 0.00 0.00 61.69 61.74 1jgl s THR 108 Cb -0.14 -3.91 -0.00 0.00 1.34 0.00 0.00 72.50 69.79 1jgl s THR 108 CO -0.03 0.50 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.16 1jgl s LEU 109 N -0.73 1.92 -0.11 4.79 2.96 0.77 -0.76 118.68 127.52 1jgl s LEU 109 Ca 0.30 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1jgl s LEU 109 Cb -0.19 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.51 1jgl s LEU 109 CO 0.18 0.15 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.32 1jgl s THR 110 N 0.07 1.50 -0.25 3.68 2.01 -0.53 -1.81 115.64 120.31 1jgl s THR 110 Ca -0.05 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1jgl s THR 110 Cb -0.12 -1.37 0.04 0.00 0.01 0.00 0.00 72.50 71.06 1jgl s THR 110 CO 0.03 0.44 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1jgl s VAL 111 N 0.95 2.44 0.19 3.82 1.01 -1.26 -0.87 120.40 126.69 1jgl s VAL 111 Ca -0.07 -1.36 -0.21 0.00 0.00 0.00 0.00 61.98 60.34 1jgl s VAL 111 Cb -0.15 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1jgl s VAL 111 CO -0.01 0.09 0.59 -0.55 0.00 0.00 0.00 175.10 175.22 1jgl s SER 112 N 1.20 -0.41 0.27 3.32 0.15 -0.45 -4.33 113.70 113.46 1jgl s SER 112 Ca -0.04 -0.26 0.23 0.00 0.70 0.00 0.00 55.95 56.57 1jgl s SER 112 Cb -0.18 0.61 0.10 0.00 -1.71 0.00 0.00 66.02 64.84 1jgl s SER 112 CO -0.05 -1.06 1.21 0.28 1.20 0.00 0.00 173.24 174.82 1jgl h SER 113 N 2.07 0.00 -3.16 5.45 0.02 -1.96 -3.37 113.55 112.60 1jgl h SER 113 Ca -0.30 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.07 1jgl h SER 113 Cb 1.28 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.96 1jgl h SER 113 CO 0.35 0.01 0.12 0.00 -1.14 0.00 0.00 176.83 176.17 1jgl n ALA 114 N -2.16 0.11 -2.52 3.77 0.00 -1.26 -4.99 120.51 113.45 1jgl n ALA 114 Ca 0.01 0.17 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1jgl n ALA 114 Cb 0.55 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 1jgl n ALA 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jgl s LYS 115 N -2.16 3.94 -0.11 0.00 2.20 -1.26 -5.00 119.74 117.35 1jgl s LYS 115 Ca 0.66 0.40 -0.36 0.00 -0.36 0.00 0.00 55.97 56.30 1jgl s LYS 115 Cb -0.52 -3.24 -0.14 0.00 -1.51 0.00 0.00 37.83 32.43 1jgl s LYS 115 CO 0.55 0.65 1.76 2.41 -0.36 0.00 0.00 175.35 180.36 1jgl n THR 116 N 1.97 0.37 -4.06 3.43 -1.04 -1.26 -4.73 114.28 108.96 1jgl n THR 116 Ca -0.14 -0.07 -0.22 0.00 -2.04 0.00 0.00 64.05 61.59 1jgl n THR 116 Cb 0.52 -1.52 -0.17 0.00 -1.82 0.00 0.00 70.33 67.34 1jgl n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1jgl s THR 117 N 3.25 0.61 0.71 12.58 2.01 0.14 -4.94 115.64 129.99 1jgl s THR 117 Ca 0.93 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.68 1jgl s THR 117 Cb -0.85 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1jgl s THR 117 CO 0.55 0.26 1.12 -2.16 -0.69 0.00 0.00 174.62 173.71 1jgl s PRO 118 N 1.28 2.50 0.46 4.92 0.04 -1.26 -0.89 135.00 142.04 1jgl s PRO 118 Ca -0.05 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1jgl s PRO 118 Cb -0.14 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1jgl s PRO 118 CO -0.02 -1.49 0.85 -1.25 0.04 0.00 0.00 177.00 175.13 1jgl s PRO 119 N -4.25 3.79 -0.27 0.56 0.04 -1.26 -4.43 135.00 129.18 1jgl s PRO 119 Ca 0.67 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 1jgl s PRO 119 Cb -0.21 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1jgl s PRO 119 CO 0.46 -0.16 0.14 -1.12 0.04 0.00 0.00 177.00 176.36 1jgl s SER 120 N -3.30 5.62 -0.20 6.66 0.01 0.10 -4.92 113.70 117.67 1jgl s SER 120 Ca 0.53 -0.15 -0.09 0.00 1.31 0.00 0.00 55.95 57.56 1jgl s SER 120 Cb -0.10 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1jgl s SER 120 CO 0.34 -0.06 0.10 -0.69 0.41 0.00 0.00 173.24 173.33 1jgl s VAL 121 N 1.69 5.01 -0.02 3.43 1.01 -1.26 -1.19 120.40 129.07 1jgl s VAL 121 Ca 0.07 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1jgl s VAL 121 Cb -0.16 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1jgl s VAL 121 CO 0.08 0.43 -0.22 -0.31 0.00 0.00 0.00 175.10 175.07 1jgl s TYR 122 N 0.55 2.01 0.29 5.22 4.12 0.13 -4.97 117.35 124.71 1jgl s TYR 122 Ca 0.05 -0.41 -0.29 0.00 0.02 0.00 0.00 57.07 56.45 1jgl s TYR 122 Cb -0.12 -1.30 -0.09 0.00 -1.52 0.00 0.00 41.96 38.92 1jgl s TYR 122 CO 0.01 -0.06 1.02 -1.25 0.02 0.00 0.00 175.55 175.29 1jgl s PRO 123 N -0.46 4.65 -0.39 -1.71 0.04 -1.26 -0.73 135.00 135.13 1jgl s PRO 123 Ca 0.07 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1jgl s PRO 123 Cb -0.09 -3.09 0.11 0.00 0.04 0.00 0.00 34.50 31.47 1jgl s PRO 123 CO -0.00 0.28 0.17 -0.51 0.04 0.00 0.00 177.00 176.98 1jgl s LEU 124 N -1.58 5.14 0.15 -3.56 1.43 0.61 -4.87 118.68 116.01 1jgl s LEU 124 Ca 0.46 -2.06 0.10 0.00 -1.03 0.00 0.00 54.13 51.59 1jgl s LEU 124 Cb -0.27 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1jgl s LEU 124 CO 0.34 -0.51 -0.17 0.00 0.23 0.00 0.00 176.35 176.24 1jgl s ALA 125 N 1.09 2.71 0.52 4.21 0.00 -1.26 -1.67 121.76 127.35 1jgl s ALA 125 Ca 0.09 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.40 1jgl s ALA 125 Cb -0.22 -0.60 -0.08 0.00 0.00 0.00 0.00 23.12 22.22 1jgl s ALA 125 CO -0.05 0.52 0.82 -2.30 0.00 0.00 0.00 175.76 174.75 1jgl n PRO 126 N 0.49 0.91 -0.29 0.00 -0.02 -1.26 -4.94 135.00 129.88 1jgl n PRO 126 Ca -0.14 0.34 0.19 0.00 -2.02 0.00 0.00 63.50 61.87 1jgl n PRO 126 Cb 0.54 -1.93 0.47 0.00 -0.02 0.00 0.00 33.50 32.55 1jgl n PRO 126 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1jgl h GLY 127 N 0.79 1.16 0.00 -1.23 0.00 -1.99 -3.40 103.07 98.40 1jgl h GLY 127 Ca -0.46 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1jgl h GLY 127 CO 0.52 -0.05 0.00 0.70 0.00 0.00 0.00 176.54 177.71 1jgl n ASN 133 N -4.59 0.00 0.20 0.19 5.03 -1.26 -4.98 115.26 109.85 1jgl n ASN 133 Ca 0.22 0.00 0.09 0.00 0.87 0.00 0.00 54.58 55.76 1jgl n ASN 133 Cb 0.72 0.00 0.27 0.00 -1.02 0.00 0.00 39.78 39.75 1jgl n ASN 133 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1jgl h SER 134 N 0.00 0.00 -3.69 6.41 4.64 -1.99 -3.41 113.55 115.51 1jgl h SER 134 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1jgl h SER 134 Cb 0.00 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 61.88 1jgl h SER 134 CO 0.00 0.21 -0.85 -0.04 -0.87 0.00 0.00 176.83 175.28 1jgl s MET 135 N -3.32 1.42 -0.01 4.77 -1.94 -1.26 -0.02 119.30 118.93 1jgl s MET 135 Ca 0.04 -1.40 0.00 0.00 -1.71 0.00 0.00 55.69 52.62 1jgl s MET 135 Cb 0.08 -1.83 0.01 0.00 2.01 0.00 0.00 34.83 35.10 1jgl s MET 135 CO 0.67 0.42 0.01 0.54 -0.01 0.00 0.00 175.02 176.65 1jgl s VAL 136 N -1.29 -0.00 -0.21 -6.03 0.11 0.25 -4.73 120.40 108.49 1jgl s VAL 136 Ca 0.16 0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.21 1jgl s VAL 136 Cb -0.09 -0.05 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 1jgl s VAL 136 CO 0.07 0.04 0.07 -0.89 -3.33 0.00 0.00 175.10 171.06 1jgl s THR 137 N 0.43 4.67 0.52 5.04 2.01 -1.26 -1.11 115.64 125.93 1jgl s THR 137 Ca -0.04 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1jgl s THR 137 Cb -0.05 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1jgl s THR 137 CO -0.01 0.41 0.09 -0.76 -0.69 0.00 0.00 174.62 173.66 1jgl s LEU 138 N 0.84 2.36 0.15 4.42 1.43 0.13 -4.69 118.68 123.32 1jgl s LEU 138 Ca 0.04 -1.57 -0.23 0.00 -1.03 0.00 0.00 54.13 51.33 1jgl s LEU 138 Cb -0.14 -0.83 0.08 0.00 0.03 0.00 0.00 46.19 45.34 1jgl s LEU 138 CO 0.02 -0.92 1.08 -0.83 0.23 0.00 0.00 176.35 175.93 1jgl s GLY 139 N -3.97 0.05 -0.03 -3.19 0.00 -0.67 -1.26 107.32 98.25 1jgl s GLY 139 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 1jgl s GLY 139 CO 0.06 2.82 0.07 0.00 0.00 0.00 0.00 173.10 176.05 1jgl s LEU 141 N 0.84 4.12 -0.39 0.00 2.96 0.09 -0.84 118.68 125.46 1jgl s LEU 141 Ca -0.07 0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1jgl s LEU 141 Cb -0.09 -2.20 0.10 0.00 0.50 0.00 0.00 46.19 44.50 1jgl s LEU 141 CO -0.03 0.03 0.17 -0.69 -1.32 0.00 0.00 176.35 174.51 1jgl s VAL 142 N 1.14 3.25 0.08 1.68 1.01 0.12 -0.69 120.40 127.00 1jgl s VAL 142 Ca 0.10 -1.92 0.07 0.00 0.00 0.00 0.00 61.98 60.23 1jgl s VAL 142 Cb -0.14 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1jgl s VAL 142 CO 0.05 -0.58 -0.16 -0.75 0.00 0.00 0.00 175.10 173.66 1jgl s LYS 143 N 1.17 2.01 -1.12 2.72 2.20 -0.33 -0.96 119.74 125.42 1jgl s LYS 143 Ca 0.06 -1.04 -0.03 0.00 -0.36 0.00 0.00 55.97 54.59 1jgl s LYS 143 Cb -0.22 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 1jgl s LYS 143 CO -0.03 0.52 0.96 0.41 -0.36 0.00 0.00 175.35 176.84 1jgl n GLY 144 N 1.11 -0.32 3.64 5.54 0.00 -0.76 -0.73 105.19 113.68 1jgl n GLY 144 Ca -0.15 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1jgl n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jgl s TYR 145 N -3.30 2.61 -0.27 1.61 -0.85 -0.68 -4.54 117.35 111.93 1jgl s TYR 145 Ca 0.22 -0.33 -0.23 0.00 -0.52 0.00 0.00 57.07 56.21 1jgl s TYR 145 Cb -0.10 -1.35 0.08 0.00 0.38 0.00 0.00 41.96 40.98 1jgl s TYR 145 CO 0.65 0.53 0.78 0.12 -1.52 0.00 0.00 175.55 176.11 1jgl s PHE 146 N -2.42 -0.78 0.00 -3.49 5.36 -0.07 -0.33 117.98 116.26 1jgl s PHE 146 Ca 0.34 1.80 0.00 0.00 -0.96 0.00 0.00 56.93 58.10 1jgl s PHE 146 Cb -0.03 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.00 1jgl s PHE 146 CO 0.20 -0.38 0.00 -0.35 -1.46 0.00 0.00 175.22 173.23 1jgl n PRO 147 N 2.94 1.06 -2.49 10.12 -0.04 -1.26 0.25 135.00 145.57 1jgl n PRO 147 Ca -0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 1jgl n PRO 147 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1jgl n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1jgl s GLU 148 N -1.41 3.90 0.00 0.54 0.41 -1.26 -4.77 118.70 116.11 1jgl s GLU 148 Ca 0.00 0.84 0.00 0.00 -0.41 0.00 0.00 54.97 55.40 1jgl s GLU 148 Cb 0.00 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 1jgl s GLU 148 CO 0.00 -0.22 0.00 -0.35 -0.49 0.00 0.00 175.26 174.20 1jgl n PRO 149 N -1.54 2.12 -4.18 0.39 -0.04 -1.26 -4.95 135.00 125.54 1jgl n PRO 149 Ca 0.06 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.34 1jgl n PRO 149 Cb 0.54 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.88 1jgl n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jgl s VAL 150 N -0.73 1.12 -0.07 0.52 -7.23 -1.26 -4.36 120.40 108.39 1jgl s VAL 150 Ca 0.00 -1.40 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1jgl s VAL 150 Cb 0.00 -1.17 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 1jgl s VAL 150 CO 0.00 -0.29 -0.15 0.42 -0.31 0.00 0.00 175.10 174.76 1jgl s THR 151 N -1.54 2.93 -0.06 5.32 -4.23 -0.33 -4.95 115.64 112.78 1jgl s THR 151 Ca 0.00 -0.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1jgl s THR 151 Cb -0.08 -2.16 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 1jgl s THR 151 CO 0.02 0.57 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.78 1jgl s VAL 152 N -0.37 1.72 0.22 2.29 1.01 -1.26 -0.98 120.40 123.03 1jgl s VAL 152 Ca 0.04 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1jgl s VAL 152 Cb -0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1jgl s VAL 152 CO 0.02 0.49 0.05 0.42 0.00 0.00 0.00 175.10 176.08 1jgl s THR 153 N 0.11 0.62 -0.08 3.92 -4.23 -0.23 -4.96 115.64 110.80 1jgl s THR 153 Ca -0.08 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1jgl s THR 153 Cb -0.14 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.30 1jgl s THR 153 CO 0.04 -0.22 -0.18 0.26 -0.54 0.00 0.00 174.62 173.99 1jgl s TRP 154 N -3.70 1.98 -1.31 3.99 0.52 -1.26 -0.08 118.94 119.07 1jgl s TRP 154 Ca 0.32 -0.76 -0.07 0.00 0.02 0.00 0.00 56.10 55.60 1jgl s TRP 154 Cb 0.07 -1.37 -0.00 0.00 -1.15 0.00 0.00 33.47 31.02 1jgl s TRP 154 CO 0.09 -0.33 0.57 0.09 0.02 0.00 0.00 176.95 177.39 1jgl n ASN 155 N 3.63 -2.06 -2.84 2.95 4.13 0.11 -0.92 115.26 120.26 1jgl n ASN 155 Ca -0.21 -1.00 -0.15 0.00 1.68 0.00 0.00 54.58 54.91 1jgl n ASN 155 Cb 0.52 -3.23 -0.01 0.00 -1.54 0.00 0.00 39.78 35.52 1jgl n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1jgl n SER 156 N -2.88 -3.27 0.00 6.41 7.64 -1.26 -0.15 113.62 120.11 1jgl n SER 156 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1jgl n SER 156 Cb 0.65 -2.78 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 1jgl n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jgl n GLY 157 N -0.89 1.85 0.25 0.23 0.00 -0.10 -4.90 105.19 101.63 1jgl n GLY 157 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1jgl n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jgl h SER 158 N 0.00 0.00 -3.50 1.61 0.02 -0.47 -3.33 113.55 107.88 1jgl h SER 158 Ca 0.00 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.21 1jgl h SER 158 Cb 0.00 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.25 1jgl h SER 158 CO 0.00 0.09 -0.26 -0.22 -1.14 0.00 0.00 176.83 175.29 1jgl s LEU 159 N -8.40 5.92 -0.04 5.07 2.96 -1.03 -4.85 118.68 118.31 1jgl s LEU 159 Ca -0.04 -2.20 0.05 0.00 -0.22 0.00 0.00 54.13 51.71 1jgl s LEU 159 Cb 0.16 -2.06 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 1jgl s LEU 159 CO 0.65 -0.64 0.04 -1.54 -1.32 0.00 0.00 176.35 173.54 1jgl n SER 160 N 4.55 3.78 -4.83 3.68 3.41 -1.25 -4.19 113.62 118.76 1jgl n SER 160 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.26 1jgl n SER 160 Cb 0.41 0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 65.10 1jgl n SER 160 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jgl s SER 161 N -3.33 6.84 -0.97 4.04 0.15 -1.26 -3.81 113.70 115.36 1jgl s SER 161 Ca -0.02 1.57 -0.01 0.00 0.70 0.00 0.00 55.95 58.18 1jgl s SER 161 Cb 0.02 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1jgl s SER 161 CO 0.21 -0.37 0.16 0.61 1.20 0.00 0.00 173.24 175.05 1jgl n GLY 162 N -0.77 -0.07 3.13 9.45 0.00 -1.26 -4.68 105.19 110.99 1jgl n GLY 162 Ca 0.06 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1jgl n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgl s VAL 163 N -2.73 1.20 -0.26 1.61 1.01 -1.25 -0.89 120.40 119.09 1jgl s VAL 163 Ca 0.08 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1jgl s VAL 163 Cb -0.03 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.40 1jgl s VAL 163 CO 0.10 0.28 0.66 -1.38 0.00 0.00 0.00 175.10 174.76 1jgl s HIS 164 N -0.45 -0.82 -0.17 5.22 -3.43 -0.92 -5.04 115.29 109.68 1jgl s HIS 164 Ca 0.05 1.87 -0.02 0.00 -0.80 0.00 0.00 55.06 56.16 1jgl s HIS 164 Cb -0.06 0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 31.43 1jgl s HIS 164 CO -0.00 -0.40 -0.07 0.99 -2.00 0.00 0.00 174.74 173.25 1jgl s THR 165 N 0.75 3.39 0.46 -5.38 2.01 -1.26 -1.48 115.64 114.13 1jgl s THR 165 Ca -0.03 -0.52 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 1jgl s THR 165 Cb -0.05 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.89 1jgl s THR 165 CO -0.05 0.48 1.03 -0.36 -0.69 0.00 0.00 174.62 175.03 1jgl s PHE 166 N 0.75 3.10 0.49 4.92 0.08 -0.75 -5.01 117.98 121.55 1jgl s PHE 166 Ca -0.03 1.60 -0.23 0.00 0.12 0.00 0.00 56.93 58.38 1jgl s PHE 166 Cb -0.15 -3.06 -0.07 0.00 -0.57 0.00 0.00 43.02 39.18 1jgl s PHE 166 CO 0.02 -0.70 1.34 -2.14 -0.10 0.00 0.00 175.22 173.64 1jgl s PRO 167 N -3.05 3.49 0.50 0.24 0.02 -1.26 -4.41 135.00 130.53 1jgl s PRO 167 Ca 0.64 2.20 -0.20 0.00 0.02 0.00 0.00 61.00 63.67 1jgl s PRO 167 Cb -0.17 -2.45 -0.08 0.00 0.02 0.00 0.00 34.50 31.82 1jgl s PRO 167 CO 0.21 -0.90 1.06 0.00 -0.33 0.00 0.00 177.00 177.03 1jgl s ALA 168 N -1.31 2.83 0.08 -1.55 0.00 -1.26 -4.80 121.76 115.76 1jgl s ALA 168 Ca 0.66 0.63 0.07 0.00 0.00 0.00 0.00 51.96 53.32 1jgl s ALA 168 Cb -0.39 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1jgl s ALA 168 CO 0.48 -0.42 -0.14 0.14 0.00 0.00 0.00 175.76 175.82 1jgl s VAL 169 N -1.97 3.12 -0.36 0.00 -7.23 0.04 -4.90 120.40 109.10 1jgl s VAL 169 Ca 0.68 -1.26 -0.15 0.00 -1.81 0.00 0.00 61.98 59.43 1jgl s VAL 169 Cb -0.18 -2.41 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 1jgl s VAL 169 CO 0.22 0.19 0.37 -0.22 -0.31 0.00 0.00 175.10 175.35 1jgl s LEU 170 N -1.93 4.56 -0.34 1.32 2.96 -1.26 -1.56 118.68 122.43 1jgl s LEU 170 Ca 0.18 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1jgl s LEU 170 Cb -0.11 -2.33 0.10 0.00 0.50 0.00 0.00 46.19 44.35 1jgl s LEU 170 CO 0.10 -0.39 0.06 -1.58 -1.32 0.00 0.00 176.35 173.22 1jgl s GLN 171 N 2.01 1.36 -0.81 1.98 0.74 0.18 -4.84 119.66 120.28 1jgl s GLN 171 Ca 0.11 -1.75 -0.03 0.00 0.05 0.00 0.00 55.36 53.74 1jgl s GLN 171 Cb -0.17 -3.02 -0.03 0.00 1.10 0.00 0.00 33.01 30.89 1jgl s GLN 171 CO 0.12 -0.95 0.73 0.43 -0.55 0.00 0.00 175.29 175.07 1jgl n SER 172 N 4.34 -6.70 0.00 6.67 7.64 -1.26 -2.97 113.62 121.35 1jgl n SER 172 Ca 0.03 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1jgl n SER 172 Cb 0.42 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 1jgl n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jgl n ASP 173 N -2.39 0.00 -4.39 6.43 10.43 -1.26 -4.94 116.55 120.43 1jgl n ASP 173 Ca -0.03 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.04 1jgl n ASP 173 Cb 0.56 -1.19 -0.13 0.00 1.84 0.00 0.00 41.12 42.20 1jgl n ASP 173 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1jgl s LEU 174 N 0.00 2.31 0.01 0.64 1.43 -1.16 -4.83 118.68 117.08 1jgl s LEU 174 Ca 0.00 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 1jgl s LEU 174 Cb 0.00 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1jgl s LEU 174 CO 0.00 0.19 0.14 -0.31 0.23 0.00 0.00 176.35 176.61 1jgl s TYR 175 N -1.02 3.42 0.01 0.29 1.51 0.56 0.48 117.35 122.60 1jgl s TYR 175 Ca 0.14 0.27 0.00 0.00 -1.01 0.00 0.00 57.07 56.47 1jgl s TYR 175 Cb -0.10 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 1jgl s TYR 175 CO 0.05 0.60 -0.02 0.99 -1.11 0.00 0.00 175.55 176.06 1jgl s THR 176 N -1.31 0.13 0.24 -0.71 2.01 -0.60 -1.69 115.64 113.71 1jgl s THR 176 Ca 0.27 -0.43 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 1jgl s THR 176 Cb -0.12 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.22 1jgl s THR 176 CO 0.19 -0.19 0.57 -0.22 -0.69 0.00 0.00 174.62 174.27 1jgl s LEU 177 N -0.65 0.05 0.04 4.42 0.20 -0.13 -0.78 118.68 121.83 1jgl s LEU 177 Ca -0.06 -0.65 -0.01 0.00 0.69 0.00 0.00 54.13 54.10 1jgl s LEU 177 Cb -0.04 2.20 -0.03 0.00 -0.43 0.00 0.00 46.19 47.89 1jgl s LEU 177 CO -0.00 -1.16 -0.01 -0.94 -0.29 0.00 0.00 176.35 173.94 1jgl s SER 178 N -2.93 0.34 -0.02 3.68 1.04 -1.26 0.15 113.70 114.70 1jgl s SER 178 Ca 0.14 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.89 1jgl s SER 178 Cb -0.02 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 1jgl s SER 178 CO 0.04 -0.46 -0.17 -0.55 0.98 0.00 0.00 173.24 173.07 1jgl s SER 179 N -2.19 2.09 -0.07 7.02 0.15 -0.02 -1.82 113.70 118.86 1jgl s SER 179 Ca -0.04 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.30 1jgl s SER 179 Cb -0.01 -0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 1jgl s SER 179 CO -0.05 0.19 -0.13 -0.55 1.20 0.00 0.00 173.24 173.89 1jgl s SER 180 N -0.25 4.07 -0.02 5.45 0.15 -0.55 -1.38 113.70 121.17 1jgl s SER 180 Ca 0.03 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1jgl s SER 180 Cb -0.08 -1.06 0.02 0.00 -1.71 0.00 0.00 66.02 63.19 1jgl s SER 180 CO 0.00 0.30 0.00 0.54 1.20 0.00 0.00 173.24 175.29 1jgl s VAL 181 N -0.47 0.11 -0.20 4.45 0.11 -0.39 -2.16 120.40 121.84 1jgl s VAL 181 Ca 0.06 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1jgl s VAL 181 Cb -0.12 -0.18 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1jgl s VAL 181 CO 0.02 0.10 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.91 1jgl s THR 182 N 0.72 3.00 0.17 5.04 2.01 -0.07 0.18 115.64 126.69 1jgl s THR 182 Ca -0.07 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.36 1jgl s THR 182 Cb -0.10 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 1jgl s THR 182 CO -0.02 0.46 -0.09 0.68 -0.69 0.00 0.00 174.62 174.97 1jgl s VAL 183 N 1.35 1.20 0.44 3.82 -7.23 -0.27 -4.70 120.40 115.02 1jgl s VAL 183 Ca 0.04 -2.07 -0.25 0.00 -1.81 0.00 0.00 61.98 57.89 1jgl s VAL 183 Cb -0.14 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.77 1jgl s VAL 183 CO -0.05 -0.67 1.38 -2.84 -0.31 0.00 0.00 175.10 172.61 1jgl s PRO 184 N -3.76 3.75 0.28 4.82 0.02 -1.26 -0.58 135.00 138.27 1jgl s PRO 184 Ca 0.19 2.32 0.23 0.00 0.02 0.00 0.00 61.00 63.76 1jgl s PRO 184 Cb 0.03 -2.67 1.04 0.00 0.02 0.00 0.00 34.50 32.92 1jgl s PRO 184 CO 0.02 -0.73 1.69 0.43 -0.33 0.00 0.00 177.00 178.09 1jgl n SER 185 N -0.13 0.63 -0.07 2.53 7.64 0.96 -1.15 113.62 124.03 1jgl n SER 185 Ca 0.05 0.70 0.14 0.00 1.01 0.00 0.00 58.87 60.77 1jgl n SER 185 Cb 0.43 -0.82 0.59 0.00 -1.01 0.00 0.00 64.21 63.40 1jgl n SER 185 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1jgl n SER 186 N -2.25 0.33 -0.12 6.43 3.41 -1.26 -3.69 113.62 116.48 1jgl n SER 186 Ca 0.01 -0.30 -0.21 0.00 -0.26 0.00 0.00 58.87 58.11 1jgl n SER 186 Cb 0.17 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 1jgl n SER 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1jgl n THR 187 N -1.15 1.53 -5.08 6.66 -1.04 -0.30 -4.78 114.28 110.11 1jgl n THR 187 Ca 0.12 -0.53 -0.31 0.00 -2.04 0.00 0.00 64.05 61.29 1jgl n THR 187 Cb 0.29 -1.55 -0.15 0.00 -1.82 0.00 0.00 70.33 67.10 1jgl n THR 187 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1jgl s TRP 188 N -2.52 2.41 -2.00 -1.42 -0.00 -1.12 0.16 118.94 114.45 1jgl s TRP 188 Ca -0.34 -0.37 0.06 0.00 -0.00 0.00 0.00 56.10 55.45 1jgl s TRP 188 Cb 0.10 -1.49 0.19 0.00 -0.00 0.00 0.00 33.47 32.26 1jgl s TRP 188 CO 0.60 0.06 1.15 -0.35 -0.00 0.00 0.00 176.95 178.41 1jgl n PRO 189 N 2.17 1.42 -0.12 5.86 -0.04 -1.26 -4.63 135.00 138.40 1jgl n PRO 189 Ca -0.16 -0.65 -0.05 0.00 -0.04 0.00 0.00 63.50 62.59 1jgl n PRO 189 Cb 0.52 -1.15 0.03 0.00 -0.04 0.00 0.00 33.50 32.85 1jgl n PRO 189 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1jgl h SER 190 N 1.06 0.12 -3.14 3.54 0.02 -1.82 -3.40 113.55 109.92 1jgl h SER 190 Ca 0.00 0.05 -0.67 0.00 -0.84 0.00 0.00 61.79 60.33 1jgl h SER 190 Cb 0.24 0.04 -0.13 0.00 0.14 0.00 0.00 62.40 62.69 1jgl h SER 190 CO 0.00 0.10 -0.58 -1.61 -1.14 0.00 0.00 176.83 173.60 1jgl s GLU 191 N -6.15 3.24 0.35 3.45 2.02 0.43 -5.08 118.70 116.95 1jgl s GLU 191 Ca -0.13 -0.33 -0.28 0.00 0.02 0.00 0.00 54.97 54.25 1jgl s GLU 191 Cb 0.13 -2.95 -0.10 0.00 0.10 0.00 0.00 34.13 31.32 1jgl s GLU 191 CO 0.71 0.66 1.27 0.95 0.02 0.00 0.00 175.26 178.87 1jgl s THR 192 N -0.74 2.82 -0.15 3.63 -4.23 -1.26 -4.36 115.64 111.36 1jgl s THR 192 Ca 0.12 0.79 0.01 0.00 -1.18 0.00 0.00 61.69 61.42 1jgl s THR 192 Cb -0.12 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.26 1jgl s THR 192 CO 0.02 0.16 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.42 1jgl s VAL 193 N -1.21 1.63 -0.02 2.29 1.01 -1.26 -4.99 120.40 117.85 1jgl s VAL 193 Ca 0.52 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1jgl s VAL 193 Cb -0.37 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1jgl s VAL 193 CO 0.49 0.47 -0.12 -0.89 0.00 0.00 0.00 175.10 175.05 1jgl s THR 194 N 1.37 0.95 -0.07 3.92 2.01 -1.26 -0.29 115.64 122.27 1jgl s THR 194 Ca 0.03 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 1jgl s THR 194 Cb -0.13 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1jgl s THR 194 CO -0.09 0.28 0.15 0.00 -0.69 0.00 0.00 174.62 174.26 1jgl s ASN 196 N -1.41 3.92 -0.13 0.00 -0.87 0.88 -1.72 114.94 115.61 1jgl s ASN 196 Ca 0.20 -0.43 0.01 0.00 -1.57 0.00 0.00 52.86 51.07 1jgl s ASN 196 Cb -0.12 -1.63 -0.01 0.00 -0.02 0.00 0.00 41.25 39.47 1jgl s ASN 196 CO 0.10 0.05 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.82 1jgl s VAL 197 N 1.07 2.67 -0.04 1.60 1.01 0.31 -1.06 120.40 125.96 1jgl s VAL 197 Ca -0.00 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1jgl s VAL 197 Cb -0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1jgl s VAL 197 CO -0.02 0.53 -0.24 0.00 0.00 0.00 0.00 175.10 175.37 1jgl s ALA 198 N 0.43 2.04 -0.46 5.51 0.00 -0.15 -0.59 121.76 128.55 1jgl s ALA 198 Ca -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1jgl s ALA 198 Cb -0.16 -0.59 0.14 0.00 0.00 0.00 0.00 23.12 22.50 1jgl s ALA 198 CO 0.06 0.44 0.25 -1.58 0.00 0.00 0.00 175.76 174.92 1jgl s HIS 199 N -0.31 2.17 0.29 0.00 2.46 0.43 -1.19 115.29 119.14 1jgl s HIS 199 Ca 0.02 -2.55 0.04 0.00 0.47 0.00 0.00 55.06 53.03 1jgl s HIS 199 Cb -0.12 -2.02 0.71 0.00 -0.13 0.00 0.00 32.58 31.02 1jgl s HIS 199 CO 0.02 -0.77 1.73 -1.35 -2.47 0.00 0.00 174.74 171.90 1jgl h PRO 200 N 6.64 0.53 -0.81 2.88 0.11 -1.79 -1.33 132.00 138.23 1jgl h PRO 200 Ca -0.01 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.22 1jgl h PRO 200 Cb 0.92 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.85 1jgl h PRO 200 CO 0.52 0.35 0.53 0.00 -0.21 0.00 0.00 178.00 179.19 1jgl h ALA 201 N 1.66 2.04 -0.34 -0.75 0.00 -1.91 0.01 119.26 119.98 1jgl h ALA 201 Ca 0.55 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1jgl h ALA 201 Cb 0.96 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1jgl h ALA 201 CO -0.45 -0.26 0.00 -1.13 0.00 0.00 0.00 179.25 177.41 1jgl n SER 202 N -4.50 2.97 -3.79 0.00 3.41 -0.85 -4.97 113.62 105.89 1jgl n SER 202 Ca 0.16 -2.07 -0.26 0.00 -0.26 0.00 0.00 58.87 56.43 1jgl n SER 202 Cb 0.53 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1jgl n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jgl n SER 203 N 0.43 -2.37 -4.37 4.04 7.64 -0.01 -4.96 113.62 114.01 1jgl n SER 203 Ca 0.12 -0.97 -0.31 0.00 1.01 0.00 0.00 58.87 58.73 1jgl n SER 203 Cb 0.45 -3.42 -0.14 0.00 -1.01 0.00 0.00 64.21 60.09 1jgl n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jgl s THR 204 N -3.71 2.34 -0.03 0.44 2.01 -0.61 -4.99 115.64 111.09 1jgl s THR 204 Ca 0.18 -1.27 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 1jgl s THR 204 Cb -0.06 -1.92 0.03 0.00 0.01 0.00 0.00 72.50 70.56 1jgl s THR 204 CO 0.86 0.40 0.03 -0.54 -0.69 0.00 0.00 174.62 174.68 1jgl s LYS 205 N -1.18 0.04 -0.01 4.92 1.02 -1.26 -0.43 119.74 122.83 1jgl s LYS 205 Ca 0.12 0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.36 1jgl s LYS 205 Cb -0.10 -0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 1jgl s LYS 205 CO 0.02 -0.22 -0.10 0.08 -0.92 0.00 0.00 175.35 174.21 1jgl s VAL 206 N 1.42 0.84 -0.07 3.17 1.01 0.25 -4.99 120.40 122.03 1jgl s VAL 206 Ca -0.05 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1jgl s VAL 206 Cb -0.13 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1jgl s VAL 206 CO -0.03 0.24 -0.19 -1.81 0.00 0.00 0.00 175.10 173.31 1jgl s ASP 207 N -0.16 3.58 -0.15 3.32 -0.00 -1.26 -0.53 116.67 121.47 1jgl s ASP 207 Ca 0.03 -0.37 -0.02 0.00 -0.00 0.00 0.00 52.55 52.19 1jgl s ASP 207 Cb -0.05 -1.01 0.05 0.00 -0.00 0.00 0.00 42.92 41.91 1jgl s ASP 207 CO -0.00 0.26 -0.00 -0.54 -0.00 0.00 0.00 175.17 174.89 1jgl s LYS 208 N -0.23 0.88 0.27 8.23 -0.14 -0.70 -4.98 119.74 123.07 1jgl s LYS 208 Ca -0.00 -0.32 -0.29 0.00 -1.36 0.00 0.00 55.97 53.99 1jgl s LYS 208 Cb -0.13 -1.79 -0.09 0.00 -1.68 0.00 0.00 37.83 34.13 1jgl s LYS 208 CO 0.03 -0.49 1.03 0.21 -0.76 0.00 0.00 175.35 175.37 1jgl s LYS 209 N 1.82 4.71 -0.48 1.68 2.20 -1.26 -1.88 119.74 126.52 1jgl s LYS 209 Ca 0.01 1.66 -0.21 0.00 -0.36 0.00 0.00 55.97 57.07 1jgl s LYS 209 Cb -0.15 -3.19 0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1jgl s LYS 209 CO -0.07 0.32 0.69 0.42 -0.36 0.00 0.00 175.35 176.34 1jgl s ILE 210 N -1.20 4.77 -0.16 5.43 -1.09 0.60 -4.84 121.20 124.70 1jgl s ILE 210 Ca 0.44 -0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.74 1jgl s ILE 210 Cb -0.29 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 1jgl s ILE 210 CO 0.37 -0.75 0.04 -0.69 -1.23 0.00 0.00 174.94 172.68 1jgl s VAL 211 N 2.94 4.60 0.49 2.92 1.01 -1.26 -4.63 120.40 126.47 1jgl s VAL 211 Ca 0.21 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1jgl s VAL 211 Cb -0.15 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 1jgl s VAL 211 CO 0.17 0.49 1.36 -0.81 0.00 0.00 0.00 175.10 176.31 1jgl n PRO 212 N 3.32 1.93 0.00 2.72 -0.04 -1.26 -4.83 135.00 136.83 1jgl n PRO 212 Ca -0.17 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1jgl n PRO 212 Cb 0.52 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1jgl n PRO 212 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00