#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmj s ILE 2 N 0.00 4.72 0.03 0.52 1.01 -1.26 -4.70 121.20 121.53 3dmj s ILE 2 Ca 0.00 0.80 -0.25 0.00 0.00 0.00 0.00 60.65 61.20 3dmj s ILE 2 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3dmj s ILE 2 CO 0.00 -0.38 0.77 -0.55 0.00 0.00 0.00 174.94 174.78 3dmj s SER 3 N -2.76 7.20 0.00 3.58 0.15 -0.25 -4.56 113.70 117.05 3dmj s SER 3 Ca 0.53 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.61 3dmj s SER 3 Cb -0.10 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3dmj s SER 3 CO 0.25 -0.01 1.39 -2.65 1.20 0.00 0.00 173.24 173.42 3dmj n PRO 4 N 2.95 0.95 -3.74 5.44 -0.02 -1.26 -4.54 135.00 134.77 3dmj n PRO 4 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 3dmj n PRO 4 Cb 0.50 -1.03 -0.05 0.00 -0.02 0.00 0.00 33.50 32.91 3dmj n PRO 4 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3dmj s ILE 5 N 0.08 5.27 0.78 4.25 2.07 -1.26 -5.07 121.20 127.32 3dmj s ILE 5 Ca 0.00 0.14 -0.14 0.00 -1.41 0.00 0.00 60.65 59.25 3dmj s ILE 5 Cb 0.00 -3.58 0.07 0.00 0.13 0.00 0.00 42.46 39.07 3dmj s ILE 5 CO 0.00 0.31 1.19 -0.70 -1.91 0.00 0.00 174.94 173.83 3dmj s GLU 6 N -1.91 1.84 0.49 3.50 2.12 -1.26 -4.76 118.70 118.72 3dmj s GLU 6 Ca 0.30 1.70 -0.05 0.00 0.36 0.00 0.00 54.97 57.28 3dmj s GLU 6 Cb -0.13 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 3dmj s GLU 6 CO 0.18 -2.05 0.79 0.95 -0.54 0.00 0.00 175.26 174.60 3dmj s THR 7 N -2.17 4.79 -0.21 -1.70 -4.23 -1.26 -4.95 115.64 105.90 3dmj s THR 7 Ca 0.72 0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 61.30 3dmj s THR 7 Cb -0.27 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 3dmj s THR 7 CO 0.49 -0.81 0.13 -0.69 -0.54 0.00 0.00 174.62 173.20 3dmj s VAL 8 N -2.76 5.30 -0.41 2.29 1.01 -1.26 -4.99 120.40 119.58 3dmj s VAL 8 Ca 0.48 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 3dmj s VAL 8 Cb -0.10 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3dmj s VAL 8 CO 0.45 0.41 1.71 -2.16 0.00 0.00 0.00 175.10 175.50 3dmj s PRO 9 N 0.64 3.25 0.10 2.72 0.04 -1.26 -4.28 135.00 136.21 3dmj s PRO 9 Ca 0.07 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.26 3dmj s PRO 9 Cb -0.12 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 3dmj s PRO 9 CO 0.01 -1.96 0.20 0.08 0.04 0.00 0.00 177.00 175.37 3dmj s VAL 10 N 6.95 5.11 0.05 -0.36 1.01 -1.26 -5.12 120.40 126.77 3dmj s VAL 10 Ca 0.72 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 3dmj s VAL 10 Cb -0.18 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3dmj s VAL 10 CO 0.31 0.04 0.03 -0.54 0.00 0.00 0.00 175.10 174.94 3dmj s LYS 11 N -2.77 0.59 0.38 2.72 1.02 -1.26 -4.70 119.74 115.72 3dmj s LYS 11 Ca 0.33 -0.98 -0.21 0.00 0.02 0.00 0.00 55.97 55.14 3dmj s LYS 11 Cb -0.12 0.22 -0.10 0.00 -0.52 0.00 0.00 37.83 37.30 3dmj s LYS 11 CO 0.26 -0.13 0.90 -0.51 -0.92 0.00 0.00 175.35 174.95 3dmj s LEU 12 N -2.49 4.05 1.04 3.17 1.43 -1.26 -1.23 118.68 123.39 3dmj s LEU 12 Ca 0.00 1.62 -0.25 0.00 -1.03 0.00 0.00 54.13 54.48 3dmj s LEU 12 Cb 0.03 -4.31 -0.11 0.00 0.03 0.00 0.00 46.19 41.83 3dmj s LEU 12 CO -0.07 -0.26 -1.07 0.29 0.23 0.00 0.00 176.35 175.46 3dmj n LYS 13 N -0.31 -0.50 -1.56 1.70 5.02 0.42 -4.56 118.16 118.37 3dmj n LYS 13 Ca 0.05 -0.14 -0.52 0.00 -2.02 0.00 0.00 58.31 55.68 3dmj n LYS 13 Cb 0.53 -1.21 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 3dmj n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3dmj n PRO 14 N 1.10 1.35 0.00 1.97 -0.02 -1.26 -3.51 135.00 134.62 3dmj n PRO 14 Ca -0.01 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3dmj n PRO 14 Cb 0.71 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3dmj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmj n GLY 15 N 5.51 0.73 3.59 -1.23 0.00 -1.26 -4.98 105.19 107.55 3dmj n GLY 15 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 3dmj n GLY 15 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dmj s MET 16 N 0.00 0.14 0.41 1.61 0.23 -1.23 -5.05 119.30 115.41 3dmj s MET 16 Ca 0.00 1.18 0.07 0.00 -1.03 0.00 0.00 55.69 55.92 3dmj s MET 16 Cb 0.00 -1.65 -0.06 0.00 -1.53 0.00 0.00 34.83 31.59 3dmj s MET 16 CO 0.00 -3.11 0.12 0.34 -2.03 0.00 0.00 175.02 170.33 3dmj s ASP 17 N -2.65 4.22 0.80 -1.18 2.15 -1.26 -4.73 116.67 114.02 3dmj s ASP 17 Ca 0.67 -1.18 -0.14 0.00 0.43 0.00 0.00 52.55 52.33 3dmj s ASP 17 Cb -0.23 -0.45 0.06 0.00 -0.30 0.00 0.00 42.92 42.00 3dmj s ASP 17 CO 0.61 -0.50 1.11 0.61 -0.17 0.00 0.00 175.17 176.83 3dmj n GLY 18 N -1.14 -0.21 3.76 2.66 0.00 -1.26 -4.89 105.19 104.11 3dmj n GLY 18 Ca -0.03 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3dmj n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dmj s PRO 19 N -3.92 2.49 -0.28 1.61 0.04 -1.26 -4.92 135.00 128.76 3dmj s PRO 19 Ca 0.72 1.43 0.21 0.00 0.04 0.00 0.00 61.00 63.41 3dmj s PRO 19 Cb -0.30 -1.91 0.50 0.00 0.04 0.00 0.00 34.50 32.83 3dmj s PRO 19 CO 0.52 -1.50 1.08 1.63 0.04 0.00 0.00 177.00 178.77 3dmj n LYS 20 N -2.75 1.72 -2.26 4.56 5.02 -1.24 -1.26 118.16 121.95 3dmj n LYS 20 Ca 0.11 -3.50 -0.41 0.00 -2.02 0.00 0.00 58.31 52.49 3dmj n LYS 20 Cb 0.52 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3dmj n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dmj s VAL 21 N -3.73 3.10 0.19 -0.18 1.01 -0.73 -4.82 120.40 115.24 3dmj s VAL 21 Ca 0.28 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 3dmj s VAL 21 Cb 0.35 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 3dmj s VAL 21 CO -0.02 0.23 1.15 -0.75 0.00 0.00 0.00 175.10 175.71 3dmj s LYS 22 N -1.25 4.54 -0.47 2.72 2.20 -1.26 -4.33 119.74 121.90 3dmj s LYS 22 Ca 0.49 1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 57.63 3dmj s LYS 22 Cb -0.36 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 3dmj s LYS 22 CO 0.45 0.00 1.44 -1.14 -0.36 0.00 0.00 175.35 175.75 3dmj s GLN 23 N -0.42 3.44 0.15 4.03 2.00 -1.26 -4.69 119.66 122.91 3dmj s GLN 23 Ca 0.51 0.78 -0.34 0.00 -2.00 0.00 0.00 55.36 54.31 3dmj s GLN 23 Cb -0.31 -4.08 -0.15 0.00 0.80 0.00 0.00 33.01 29.27 3dmj s GLN 23 CO 0.37 -1.74 1.35 1.87 -0.50 0.00 0.00 175.29 176.63 3dmj n TRP 24 N 9.26 1.70 -2.00 1.67 -0.00 -1.26 -4.89 117.44 121.92 3dmj n TRP 24 Ca 0.16 0.55 -0.38 0.00 -0.00 0.00 0.00 57.50 57.82 3dmj n TRP 24 Cb 0.48 -2.38 0.02 0.00 -0.00 0.00 0.00 31.31 29.43 3dmj n TRP 24 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 3dmj s PRO 25 N 0.20 3.45 0.31 5.87 0.04 -1.26 -4.91 135.00 138.70 3dmj s PRO 25 Ca 0.78 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.92 3dmj s PRO 25 Cb -0.83 -2.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 3dmj s PRO 25 CO 0.47 -0.88 -0.03 -0.51 0.04 0.00 0.00 177.00 176.08 3dmj s LEU 26 N -3.25 2.49 0.45 -3.56 1.43 -1.26 -5.13 118.68 109.84 3dmj s LEU 26 Ca 0.67 -1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 3dmj s LEU 26 Cb -0.35 -0.66 -0.07 0.00 0.03 0.00 0.00 46.19 45.15 3dmj s LEU 26 CO 0.42 -0.39 0.84 0.42 0.23 0.00 0.00 176.35 177.88 3dmj s THR 27 N -2.99 4.72 0.32 5.49 -4.23 -1.26 -4.84 115.64 112.86 3dmj s THR 27 Ca 0.32 0.77 0.05 0.00 -1.18 0.00 0.00 61.69 61.65 3dmj s THR 27 Cb 0.05 -3.74 0.30 0.00 1.34 0.00 0.00 72.50 70.46 3dmj s THR 27 CO 0.14 -0.60 1.86 -0.08 -0.54 0.00 0.00 174.62 175.39 3dmj h GLU 28 N 1.06 0.81 -0.69 3.99 4.81 -1.98 0.15 114.58 122.73 3dmj h GLU 28 Ca -0.47 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3dmj h GLU 28 Cb 1.19 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 3dmj h GLU 28 CO 0.63 0.54 0.42 1.49 -0.73 0.00 0.00 179.01 181.36 3dmj h GLU 29 N 0.84 0.78 0.03 1.92 4.81 -1.99 0.11 114.58 121.08 3dmj h GLU 29 Ca 0.46 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3dmj h GLU 29 Cb 0.59 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3dmj h GLU 29 CO -0.23 0.52 -0.02 0.87 -0.73 0.00 0.00 179.01 179.42 3dmj h LYS 30 N 0.80 -0.04 -0.98 1.92 1.57 -1.52 -2.97 116.57 115.34 3dmj h LYS 30 Ca 0.29 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.26 3dmj h LYS 30 Cb 0.08 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.29 3dmj h LYS 30 CO -0.13 0.64 0.59 0.82 -0.57 0.00 0.00 179.45 180.79 3dmj h ILE 31 N -0.84 0.71 -0.13 1.86 2.04 -0.70 -0.15 117.51 120.30 3dmj h ILE 31 Ca -0.00 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.63 3dmj h ILE 31 Cb 0.70 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3dmj h ILE 31 CO 0.01 0.14 -0.06 0.50 0.00 0.00 0.00 178.15 178.73 3dmj h LYS 32 N 0.74 -0.05 -0.75 2.37 1.63 -0.82 -0.66 116.57 119.04 3dmj h LYS 32 Ca 0.56 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.32 3dmj h LYS 32 Cb 0.87 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.47 3dmj h LYS 32 CO -0.38 -0.03 0.26 0.00 -3.45 0.00 0.00 179.45 175.85 3dmj h ALA 33 N 1.07 1.05 -0.49 5.00 0.00 -0.91 -2.57 119.26 122.40 3dmj h ALA 33 Ca 0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3dmj h ALA 33 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3dmj h ALA 33 CO -0.16 0.65 -0.14 -0.07 0.00 0.00 0.00 179.25 179.54 3dmj h LEU 34 N 1.10 0.94 -0.36 0.00 3.38 -0.93 -1.06 115.31 118.38 3dmj h LEU 34 Ca 0.25 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3dmj h LEU 34 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3dmj h LEU 34 CO -0.01 1.07 0.23 0.58 0.09 0.00 0.00 178.44 180.39 3dmj h VAL 35 N 0.83 1.07 0.58 1.22 2.07 -0.91 -0.14 116.25 120.98 3dmj h VAL 35 Ca 0.13 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3dmj h VAL 35 Cb 0.68 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3dmj h VAL 35 CO 0.05 0.08 -0.28 -0.08 0.02 0.00 0.00 177.57 177.36 3dmj h GLU 36 N 0.47 -0.75 -0.60 1.57 4.81 -1.26 -1.28 114.58 117.54 3dmj h GLU 36 Ca 0.14 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.54 3dmj h GLU 36 Cb -0.03 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 29.41 3dmj h GLU 36 CO -0.05 -0.44 -0.17 0.82 -0.73 0.00 0.00 179.01 178.44 3dmj h ILE 37 N -1.00 0.37 -0.38 2.32 2.04 -1.12 -0.74 117.51 119.01 3dmj h ILE 37 Ca -0.08 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3dmj h ILE 37 Cb 0.66 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3dmj h ILE 37 CO 0.13 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.33 3dmj h THR 39 N 0.55 1.12 0.43 0.00 2.02 0.09 0.71 112.91 117.84 3dmj h THR 39 Ca 0.12 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3dmj h THR 39 Cb 0.27 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3dmj h THR 39 CO 0.00 0.15 -0.29 -0.08 0.37 0.00 0.00 175.52 175.67 3dmj h GLU 40 N 0.82 -0.68 -0.81 6.66 4.57 -0.99 -0.77 114.58 123.38 3dmj h GLU 40 Ca 0.24 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.53 3dmj h GLU 40 Cb -0.04 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 3dmj h GLU 40 CO -0.08 -0.45 0.53 0.52 -1.18 0.00 0.00 179.01 178.35 3dmj h MET 41 N -0.70 0.88 -0.69 1.92 2.86 -1.17 0.21 114.93 118.24 3dmj h MET 41 Ca -0.04 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 3dmj h MET 41 Cb 0.59 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3dmj h MET 41 CO 0.03 0.58 0.18 1.49 1.06 0.00 0.00 176.91 180.25 3dmj h GLU 42 N 0.90 1.09 -0.06 1.72 4.81 -0.59 0.21 114.58 122.66 3dmj h GLU 42 Ca 0.34 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3dmj h GLU 42 Cb 0.19 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3dmj h GLU 42 CO -0.12 0.96 0.02 -0.22 -0.73 0.00 0.00 179.01 178.92 3dmj h LYS 43 N 1.02 0.09 0.00 1.92 3.64 0.24 -2.59 116.57 120.90 3dmj h LYS 43 Ca 0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3dmj h LYS 43 Cb 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3dmj h LYS 43 CO -0.00 0.26 0.00 0.39 -2.27 0.00 0.00 179.45 177.83 3dmj n GLU 44 N -4.94 0.04 -0.84 1.90 1.02 0.62 -4.83 120.64 113.61 3dmj n GLU 44 Ca -0.07 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3dmj n GLU 44 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3dmj n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dmj n GLY 45 N -0.71 0.53 0.14 0.62 0.00 -0.68 -4.72 105.19 100.36 3dmj n GLY 45 Ca 0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 3dmj n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dmj h LYS 46 N 0.82 0.42 -5.89 1.61 1.57 -0.85 -3.44 116.57 110.81 3dmj h LYS 46 Ca 0.00 -0.71 -0.51 0.00 -1.87 0.00 0.00 60.65 57.55 3dmj h LYS 46 Cb 0.00 0.27 -0.17 0.00 0.08 0.00 0.00 32.23 32.40 3dmj h LYS 46 CO 0.00 1.33 -0.78 0.96 -0.57 0.00 0.00 179.45 180.39 3dmj s ILE 47 N -2.61 1.82 -0.10 1.86 -4.36 -1.16 0.57 121.20 117.22 3dmj s ILE 47 Ca -0.10 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 3dmj s ILE 47 Cb 0.05 -1.87 0.01 0.00 1.25 0.00 0.00 42.46 41.91 3dmj s ILE 47 CO 0.90 -0.35 -0.14 -0.44 0.24 0.00 0.00 174.94 175.15 3dmj s SER 48 N -2.75 2.28 0.14 4.36 0.01 0.51 -4.32 113.70 113.93 3dmj s SER 48 Ca 0.17 -0.39 -0.31 0.00 1.31 0.00 0.00 55.95 56.72 3dmj s SER 48 Cb -0.05 -1.02 -0.11 0.00 0.21 0.00 0.00 66.02 65.06 3dmj s SER 48 CO 0.07 0.01 1.76 -0.75 0.41 0.00 0.00 173.24 174.75 3dmj s LYS 49 N 0.94 4.15 0.41 12.44 2.20 -1.26 -2.04 119.74 136.58 3dmj s LYS 49 Ca -0.08 2.56 0.04 0.00 -0.36 0.00 0.00 55.97 58.12 3dmj s LYS 49 Cb -0.15 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3dmj s LYS 49 CO -0.00 -0.79 0.05 0.96 -0.36 0.00 0.00 175.35 175.21 3dmj s ILE 50 N 2.19 1.20 0.00 5.43 -4.36 -0.38 -4.95 121.20 120.33 3dmj s ILE 50 Ca 0.78 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3dmj s ILE 50 Cb -0.46 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.68 3dmj s ILE 50 CO 0.34 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.13 3dmj n GLY 51 N -0.94 1.11 0.02 6.27 0.00 -1.26 -4.60 105.19 105.79 3dmj n GLY 51 Ca -0.08 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.11 3dmj n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dmj n PRO 52 N -0.46 0.11 0.32 1.61 -0.04 -1.26 -3.86 135.00 131.43 3dmj n PRO 52 Ca 0.00 -0.04 0.20 0.00 -0.04 0.00 0.00 63.50 63.62 3dmj n PRO 52 Cb 0.00 -1.50 1.12 0.00 -0.04 0.00 0.00 33.50 33.08 3dmj n PRO 52 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3dmj h GLU 53 N 0.10 0.00 -6.48 0.54 9.09 -2.02 -3.39 114.58 112.42 3dmj h GLU 53 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 3dmj h GLU 53 Cb 0.48 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.50 3dmj h GLU 53 CO 0.00 0.00 0.86 1.21 0.05 0.00 0.00 179.01 181.13 3dmj s ASN 54 N -5.50 6.49 0.13 3.06 3.84 -1.25 -4.89 114.94 116.82 3dmj s ASN 54 Ca -0.05 0.15 0.23 0.00 0.21 0.00 0.00 52.86 53.40 3dmj s ASN 54 Cb 0.14 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 39.22 3dmj s ASN 54 CO 0.46 -1.33 1.71 -0.81 -2.79 0.00 0.00 177.10 174.34 3dmj n PRO 55 N 8.00 0.12 -2.54 0.43 -0.04 -1.26 -4.84 135.00 134.87 3dmj n PRO 55 Ca 0.08 0.24 -0.28 0.00 -0.04 0.00 0.00 63.50 63.50 3dmj n PRO 55 Cb 0.49 -1.69 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3dmj n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3dmj s TYR 56 N -3.12 3.56 -0.25 0.54 2.02 -1.26 -4.69 117.35 114.15 3dmj s TYR 56 Ca 0.09 0.92 -0.27 0.00 -0.37 0.00 0.00 57.07 57.43 3dmj s TYR 56 Cb 0.12 -2.39 0.16 0.00 -0.40 0.00 0.00 41.96 39.45 3dmj s TYR 56 CO 0.44 -0.32 1.20 1.21 -1.57 0.00 0.00 175.55 176.51 3dmj s ASN 57 N -3.99 -0.23 0.01 2.29 3.84 -0.39 -4.75 114.94 111.72 3dmj s ASN 57 Ca 0.49 0.35 0.05 0.00 0.21 0.00 0.00 52.86 53.96 3dmj s ASN 57 Cb -0.10 0.32 -0.01 0.00 -0.55 0.00 0.00 41.25 40.91 3dmj s ASN 57 CO 0.45 -0.14 -0.14 -0.89 -2.79 0.00 0.00 177.10 173.58 3dmj s THR 58 N -0.50 1.12 0.20 -5.21 2.01 0.75 -1.78 115.64 112.24 3dmj s THR 58 Ca 0.04 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 3dmj s THR 58 Cb -0.03 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 3dmj s THR 58 CO -0.07 0.20 1.27 -2.16 -0.69 0.00 0.00 174.62 173.18 3dmj s PRO 59 N -0.63 4.42 0.06 4.92 0.04 -1.26 -3.68 135.00 138.87 3dmj s PRO 59 Ca 0.04 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.12 3dmj s PRO 59 Cb -0.06 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3dmj s PRO 59 CO 0.00 -0.20 -0.00 0.54 0.04 0.00 0.00 177.00 177.38 3dmj s VAL 60 N 0.03 4.05 0.18 -0.36 0.11 -1.26 -1.54 120.40 121.61 3dmj s VAL 60 Ca 0.55 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 3dmj s VAL 60 Cb -0.35 -2.89 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 3dmj s VAL 60 CO 0.38 0.20 0.01 -0.36 -3.33 0.00 0.00 175.10 172.01 3dmj s PHE 61 N -1.24 1.25 -0.10 1.54 0.08 0.13 -4.79 117.98 114.86 3dmj s PHE 61 Ca 0.24 -1.04 0.02 0.00 0.12 0.00 0.00 56.93 56.27 3dmj s PHE 61 Cb -0.12 -0.72 0.01 0.00 -0.57 0.00 0.00 43.02 41.63 3dmj s PHE 61 CO 0.16 -0.23 -0.17 0.00 -0.10 0.00 0.00 175.22 174.88 3dmj s ALA 62 N -3.67 1.74 0.22 5.36 0.00 -1.26 -0.32 121.76 123.82 3dmj s ALA 62 Ca 0.26 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3dmj s ALA 62 Cb 0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 3dmj s ALA 62 CO 0.05 0.00 0.01 0.44 0.00 0.00 0.00 175.76 176.27 3dmj n ILE 63 N 4.04 0.00 -4.13 0.00 -5.35 -0.44 -4.93 119.36 108.56 3dmj n ILE 63 Ca -0.20 -1.07 -0.14 0.00 -0.27 0.00 0.00 62.75 61.07 3dmj n ILE 63 Cb 0.52 0.24 -0.11 0.00 -1.74 0.00 0.00 39.64 38.55 3dmj n ILE 63 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3dmj s LYS 64 N -2.80 0.71 0.00 6.28 1.02 -1.26 -1.64 119.74 122.05 3dmj s LYS 64 Ca 0.02 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.02 3dmj s LYS 64 Cb 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 37.83 36.88 3dmj s LYS 64 CO 0.01 0.07 0.00 0.36 -0.92 0.00 0.00 175.35 174.87 3dmj n LYS 70 N 0.96 0.00 -2.64 1.68 2.85 -1.26 -4.77 118.16 114.97 3dmj n LYS 70 Ca -0.19 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.81 3dmj n LYS 70 Cb 0.56 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.96 3dmj n LYS 70 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3dmj s TRP 71 N 0.00 3.39 -0.02 5.58 0.52 -1.26 -5.11 118.94 122.04 3dmj s TRP 71 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 56.10 56.75 3dmj s TRP 71 Cb 0.00 -2.45 0.02 0.00 -1.15 0.00 0.00 33.47 29.90 3dmj s TRP 71 CO 0.00 -0.47 0.02 1.03 0.02 0.00 0.00 176.95 177.55 3dmj s ARG 72 N -4.78 -0.02 0.46 4.98 0.52 -0.65 -4.95 118.95 114.51 3dmj s ARG 72 Ca 0.50 0.14 -0.22 0.00 -0.52 0.00 0.00 55.73 55.62 3dmj s ARG 72 Cb -0.10 -0.19 -0.08 0.00 0.52 0.00 0.00 34.95 35.10 3dmj s ARG 72 CO 0.43 -0.12 1.12 -1.59 0.02 0.00 0.00 175.30 175.16 3dmj s LYS 73 N 0.80 3.78 -0.20 3.54 -2.85 -1.26 -1.32 119.74 122.23 3dmj s LYS 73 Ca -0.07 1.64 -0.04 0.00 -1.00 0.00 0.00 55.97 56.50 3dmj s LYS 73 Cb -0.10 -2.33 0.09 0.00 -2.06 0.00 0.00 37.83 33.44 3dmj s LYS 73 CO -0.02 -0.50 0.22 -1.17 0.10 0.00 0.00 175.35 173.98 3dmj s LEU 74 N -3.13 -0.12 -0.08 2.77 0.20 0.56 -4.90 118.68 113.97 3dmj s LEU 74 Ca 0.64 -0.15 -0.12 0.00 0.69 0.00 0.00 54.13 55.19 3dmj s LEU 74 Cb -0.25 0.41 -0.05 0.00 -0.43 0.00 0.00 46.19 45.87 3dmj s LEU 74 CO 0.30 -0.32 0.29 -0.69 -0.29 0.00 0.00 176.35 175.64 3dmj s VAL 75 N 2.33 5.26 -0.50 1.68 1.01 -1.26 0.18 120.40 129.09 3dmj s VAL 75 Ca 0.07 0.56 -0.14 0.00 0.00 0.00 0.00 61.98 62.47 3dmj s VAL 75 Cb -0.15 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.76 3dmj s VAL 75 CO -0.12 0.55 0.43 -0.62 0.00 0.00 0.00 175.10 175.34 3dmj s ASP 76 N -0.74 6.01 0.00 3.32 3.68 -0.59 -4.93 116.67 123.42 3dmj s ASP 76 Ca 0.19 -1.75 0.22 0.00 2.13 0.00 0.00 52.55 53.34 3dmj s ASP 76 Cb -0.14 -2.14 0.67 0.00 -1.45 0.00 0.00 42.92 39.86 3dmj s ASP 76 CO 0.08 -0.77 1.51 0.49 0.13 0.00 0.00 175.17 176.62 3dmj n PHE 77 N 5.12 0.25 -0.32 -5.34 3.01 -1.26 -4.36 117.46 114.56 3dmj n PHE 77 Ca -0.12 -0.12 0.32 0.00 1.01 0.00 0.00 57.45 58.54 3dmj n PHE 77 Cb 0.41 0.00 0.59 0.00 -0.01 0.00 0.00 39.48 40.47 3dmj n PHE 77 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3dmj n ARG 78 N 0.63 -0.06 -0.02 -1.08 1.74 -1.26 0.10 116.66 116.71 3dmj n ARG 78 Ca 0.17 1.38 -0.13 0.00 -0.77 0.00 0.00 57.85 58.50 3dmj n ARG 78 Cb 0.41 -2.48 -0.09 0.00 -1.02 0.00 0.00 32.46 29.29 3dmj n ARG 78 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3dmj h GLU 79 N 0.00 0.11 -0.58 5.56 4.57 -1.99 -1.19 114.58 121.05 3dmj h GLU 79 Ca 0.85 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.97 3dmj h GLU 79 Cb 2.25 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.81 3dmj h GLU 79 CO -0.77 0.51 0.35 1.25 -1.18 0.00 0.00 179.01 179.17 3dmj h LEU 80 N -0.29 0.71 -2.13 1.64 5.85 0.39 -1.20 115.31 120.27 3dmj h LEU 80 Ca 0.01 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3dmj h LEU 80 Cb 0.48 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3dmj h LEU 80 CO 0.01 0.56 -0.07 0.78 -0.34 0.00 0.00 178.44 179.38 3dmj h ASN 81 N 0.79 0.00 0.71 1.25 2.35 0.24 0.41 115.58 121.32 3dmj h ASN 81 Ca 0.21 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.81 3dmj h ASN 81 Cb -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3dmj h ASN 81 CO -0.04 0.07 -0.72 0.50 -1.65 0.00 0.00 177.43 175.60 3dmj h LYS 82 N 0.00 0.01 -0.02 0.81 3.64 -0.02 -3.19 116.57 117.81 3dmj h LYS 82 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3dmj h LYS 82 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3dmj h LYS 82 CO 0.01 0.72 -0.45 0.54 -2.27 0.00 0.00 179.45 178.00 3dmj n ARG 83 N -3.69 1.31 -3.11 1.90 3.00 0.36 -4.89 116.66 111.53 3dmj n ARG 83 Ca -0.01 -1.00 -0.39 0.00 -0.01 0.00 0.00 57.85 56.44 3dmj n ARG 83 Cb 0.70 -1.45 -0.06 0.00 0.00 0.00 0.00 32.46 31.65 3dmj n ARG 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3dmj s THR 84 N -2.38 4.73 1.06 0.55 2.01 0.12 0.16 115.64 121.88 3dmj s THR 84 Ca 0.18 1.44 -0.21 0.00 0.31 0.00 0.00 61.69 63.41 3dmj s THR 84 Cb 0.17 -4.02 -0.00 0.00 0.01 0.00 0.00 72.50 68.66 3dmj s THR 84 CO 0.54 0.44 -0.46 0.00 -0.69 0.00 0.00 174.62 174.46 3dmj n GLN 85 N 2.38 -0.94 -3.16 4.92 10.64 -0.37 -4.45 117.38 126.40 3dmj n GLN 85 Ca -0.06 -0.26 -0.25 0.00 -1.83 0.00 0.00 57.00 54.60 3dmj n GLN 85 Cb 0.50 -1.47 -0.01 0.00 -0.86 0.00 0.00 30.24 28.40 3dmj n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3dmj s ASP 86 N -1.57 6.29 0.17 2.61 1.11 -1.26 -4.91 116.67 119.12 3dmj s ASP 86 Ca 0.49 0.61 0.01 0.00 0.18 0.00 0.00 52.55 53.84 3dmj s ASP 86 Cb -0.06 -2.10 -0.00 0.00 1.07 0.00 0.00 42.92 41.82 3dmj s ASP 86 CO 0.67 -0.37 0.03 0.49 1.18 0.00 0.00 175.17 177.17 3dmj n PHE 87 N -1.87 0.22 -2.28 4.23 3.01 -1.26 -5.09 117.46 114.40 3dmj n PHE 87 Ca -0.03 -0.98 -0.38 0.00 1.01 0.00 0.00 57.45 57.07 3dmj n PHE 87 Cb 0.56 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 39.96 3dmj n PHE 87 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 3dmj s TRP 88 N -1.94 3.00 -0.60 1.38 -0.00 -1.26 -4.84 118.94 114.68 3dmj s TRP 88 Ca 0.05 1.55 -0.27 0.00 -0.00 0.00 0.00 56.10 57.42 3dmj s TRP 88 Cb 0.00 -3.39 -0.10 0.00 -0.00 0.00 0.00 33.47 29.98 3dmj s TRP 88 CO 0.03 -1.38 2.48 -0.85 -0.00 0.00 0.00 176.95 177.23 3dmj n GLU 89 N -0.12 0.81 -0.92 5.86 0.00 -1.26 -4.71 120.64 120.30 3dmj n GLU 89 Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 57.16 57.00 3dmj n GLU 89 Cb 0.47 -3.03 -0.07 0.00 0.00 0.00 0.00 31.44 28.81 3dmj n GLU 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3dmj n VAL 90 N 7.90 0.00 -2.36 3.84 0.31 -1.26 -4.11 118.33 122.65 3dmj n VAL 90 Ca 0.43 -0.21 -0.06 0.00 -0.01 0.00 0.00 64.34 64.50 3dmj n VAL 90 Cb 0.44 -1.16 0.01 0.00 -0.91 0.00 0.00 33.84 32.21 3dmj n VAL 90 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3dmj n GLN 91 N 6.27 -0.41 0.22 5.55 7.27 -1.26 -4.84 117.38 130.18 3dmj n GLN 91 Ca 0.26 0.60 0.12 0.00 0.07 0.00 0.00 57.00 58.04 3dmj n GLN 91 Cb 0.39 -0.79 0.28 0.00 2.41 0.00 0.00 30.24 32.54 3dmj n GLN 91 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3dmj h LEU 92 N 2.42 0.00 -9.17 1.69 3.38 -1.99 -3.44 115.31 108.20 3dmj h LEU 92 Ca -0.08 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 3dmj h LEU 92 Cb 0.72 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 3dmj h LEU 92 CO 0.03 0.09 0.49 -0.83 0.09 0.00 0.00 178.44 178.31 3dmj s GLY 93 N -4.24 2.10 -0.02 0.83 0.00 -1.26 -5.05 107.32 99.68 3dmj s GLY 93 Ca 0.05 0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 3dmj s GLY 93 CO 0.65 1.81 0.34 -1.50 0.00 0.00 0.00 173.10 174.40 3dmj s ILE 94 N 2.29 5.16 0.37 0.90 2.07 -1.26 -5.07 121.20 125.64 3dmj s ILE 94 Ca 0.41 0.62 -0.27 0.00 -1.41 0.00 0.00 60.65 60.00 3dmj s ILE 94 Cb -0.17 -3.63 -0.09 0.00 0.13 0.00 0.00 42.46 38.71 3dmj s ILE 94 CO 0.13 0.54 1.20 -2.16 -1.91 0.00 0.00 174.94 172.74 3dmj s PRO 95 N -1.21 4.21 -0.15 3.50 0.04 -1.26 -5.04 135.00 135.08 3dmj s PRO 95 Ca 0.23 1.96 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 3dmj s PRO 95 Cb -0.15 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 3dmj s PRO 95 CO 0.12 -0.22 0.04 -1.58 0.04 0.00 0.00 177.00 175.40 3dmj s HIS 96 N -1.29 3.22 0.42 0.56 2.46 -1.26 -5.02 115.29 114.38 3dmj s HIS 96 Ca 0.53 0.06 0.25 0.00 0.47 0.00 0.00 55.06 56.37 3dmj s HIS 96 Cb -0.34 -1.99 1.29 0.00 -0.13 0.00 0.00 32.58 31.41 3dmj s HIS 96 CO 0.43 0.22 1.70 -1.35 -2.47 0.00 0.00 174.74 173.27 3dmj h PRO 97 N 6.28 0.21 0.00 2.88 0.11 -1.96 0.13 132.00 139.65 3dmj h PRO 97 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dmj h PRO 97 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dmj h PRO 97 CO 0.65 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 3dmj n ALA 98 N -2.51 1.35 1.04 -0.75 0.00 -1.26 -2.20 120.51 116.18 3dmj n ALA 98 Ca 0.31 0.14 0.12 0.00 0.00 0.00 0.00 53.44 54.01 3dmj n ALA 98 Cb 1.18 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 19.35 3dmj n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmj n GLY 99 N -0.65 0.21 3.72 0.00 0.00 0.45 -3.89 105.19 105.03 3dmj n GLY 99 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 3dmj n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dmj s LEU 100 N -2.35 4.44 0.22 0.99 1.43 -0.93 -4.76 118.68 117.71 3dmj s LEU 100 Ca 0.22 1.73 -0.30 0.00 -1.03 0.00 0.00 54.13 54.75 3dmj s LEU 100 Cb 0.19 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.75 3dmj s LEU 100 CO 0.50 -0.14 1.06 -0.54 0.23 0.00 0.00 176.35 177.46 3dmj s LYS 101 N 0.42 4.66 0.18 1.70 1.02 -1.26 -0.01 119.74 126.45 3dmj s LYS 101 Ca 0.49 1.69 -0.32 0.00 0.02 0.00 0.00 55.97 57.85 3dmj s LYS 101 Cb -0.22 -3.25 -0.12 0.00 -0.52 0.00 0.00 37.83 33.72 3dmj s LYS 101 CO 0.29 0.21 1.77 1.17 -0.92 0.00 0.00 175.35 177.86 3dmj n LYS 102 N 1.85 2.78 -4.26 1.68 0.00 -0.61 -4.78 118.16 114.83 3dmj n LYS 102 Ca 0.01 1.01 -0.18 0.00 0.00 0.00 0.00 58.31 59.14 3dmj n LYS 102 Cb 0.46 -2.87 -0.13 0.00 0.00 0.00 0.00 35.03 32.49 3dmj n LYS 102 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3dmj s LYS 103 N 1.74 0.80 0.32 1.64 -0.14 -1.26 -5.00 119.74 117.83 3dmj s LYS 103 Ca 0.78 -0.72 -0.00 0.00 -1.36 0.00 0.00 55.97 54.67 3dmj s LYS 103 Cb -0.50 -0.76 0.53 0.00 -1.68 0.00 0.00 37.83 35.42 3dmj s LYS 103 CO 0.34 0.18 1.99 0.87 -0.76 0.00 0.00 175.35 177.97 3dmj h LYS 104 N 4.90 0.97 -3.45 1.68 1.57 -1.76 -3.43 116.57 117.06 3dmj h LYS 104 Ca -0.37 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.18 3dmj h LYS 104 Cb 1.19 -0.22 -0.24 0.00 0.08 0.00 0.00 32.23 33.03 3dmj h LYS 104 CO 0.44 0.65 -0.53 -1.12 -0.57 0.00 0.00 179.45 178.31 3dmj s SER 105 N -6.38 -0.08 -0.02 0.86 0.01 -0.45 -5.01 113.70 102.64 3dmj s SER 105 Ca -0.11 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.25 3dmj s SER 105 Cb 0.18 0.26 0.02 0.00 0.21 0.00 0.00 66.02 66.69 3dmj s SER 105 CO 0.78 -0.17 0.02 0.00 0.41 0.00 0.00 173.24 174.28 3dmj s ALA 106 N -0.47 0.11 0.03 1.44 0.00 -1.26 -0.79 121.76 120.82 3dmj s ALA 106 Ca -0.06 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.20 3dmj s ALA 106 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3dmj s ALA 106 CO 0.01 -0.08 -0.20 0.99 0.00 0.00 0.00 175.76 176.48 3dmj s THR 107 N 0.86 1.60 -0.22 0.00 2.01 0.47 -4.93 115.64 115.42 3dmj s THR 107 Ca -0.07 -1.09 -0.08 0.00 0.31 0.00 0.00 61.69 60.76 3dmj s THR 107 Cb -0.11 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 3dmj s THR 107 CO -0.02 0.26 0.08 -0.69 -0.69 0.00 0.00 174.62 173.55 3dmj s VAL 108 N -0.71 4.69 -0.32 3.82 1.01 -1.26 -0.01 120.40 127.61 3dmj s VAL 108 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3dmj s VAL 108 Cb -0.08 -3.15 0.08 0.00 0.00 0.00 0.00 36.38 33.23 3dmj s VAL 108 CO 0.01 0.39 0.01 -0.76 0.00 0.00 0.00 175.10 174.75 3dmj s LEU 109 N 0.96 4.29 -0.32 3.92 1.02 0.16 -4.74 118.68 123.97 3dmj s LEU 109 Ca 0.04 -1.78 -0.29 0.00 0.02 0.00 0.00 54.13 52.12 3dmj s LEU 109 Cb -0.14 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.44 3dmj s LEU 109 CO 0.03 -0.32 1.28 -0.62 0.02 0.00 0.00 176.35 176.74 3dmj s ASP 110 N 1.12 6.67 -0.51 2.29 3.68 -1.26 -1.24 116.67 127.41 3dmj s ASP 110 Ca 0.02 1.14 0.04 0.00 2.13 0.00 0.00 52.55 55.87 3dmj s ASP 110 Cb -0.20 -2.54 0.41 0.00 -1.45 0.00 0.00 42.92 39.14 3dmj s ASP 110 CO -0.06 -1.09 1.35 1.33 0.13 0.00 0.00 175.17 176.83 3dmj n VAL 111 N 6.26 2.71 0.00 1.11 0.24 -0.09 -3.84 118.33 124.72 3dmj n VAL 111 Ca 0.14 -4.61 0.00 0.00 -2.04 0.00 0.00 64.34 57.84 3dmj n VAL 111 Cb 0.47 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 3dmj n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dmj n GLY 112 N -0.55 -2.98 0.16 7.63 0.00 -1.24 -3.15 105.19 105.06 3dmj n GLY 112 Ca 0.44 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3dmj n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dmj n ASP 113 N -0.51 0.00 0.00 1.61 3.85 -1.26 -2.74 116.55 117.50 3dmj n ASP 113 Ca 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 54.79 54.10 3dmj n ASP 113 Cb 0.00 0.00 0.12 0.00 -1.35 0.00 0.00 41.12 39.89 3dmj n ASP 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3dmj n ALA 114 N -0.12 2.22 0.04 2.12 0.00 -1.19 -1.79 120.51 121.80 3dmj n ALA 114 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 3dmj n ALA 114 Cb 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 3dmj n ALA 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dmj h TYR 115 N 0.00 0.38 -0.06 0.00 -1.99 -1.79 -3.17 116.97 110.34 3dmj h TYR 115 Ca 0.00 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.45 3dmj h TYR 115 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 3dmj h TYR 115 CO 0.00 1.37 0.00 1.19 -0.00 0.00 0.00 178.16 180.72 3dmj n PHE 116 N -3.40 0.08 0.94 4.88 0.99 -0.74 -2.85 117.46 117.36 3dmj n PHE 116 Ca -0.18 -0.04 0.11 0.00 -0.00 0.00 0.00 57.45 57.34 3dmj n PHE 116 Cb 1.04 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.51 3dmj n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3dmj n SER 117 N -0.26 0.81 -4.58 4.37 7.64 -1.15 -4.83 113.62 115.62 3dmj n SER 117 Ca 0.17 -0.72 -0.34 0.00 1.01 0.00 0.00 58.87 58.99 3dmj n SER 117 Cb 0.21 0.82 -0.11 0.00 -1.01 0.00 0.00 64.21 64.12 3dmj n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dmj s VAL 118 N -3.03 3.70 0.44 0.44 1.01 -1.25 -1.09 120.40 120.62 3dmj s VAL 118 Ca 0.08 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 3dmj s VAL 118 Cb 0.16 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.94 3dmj s VAL 118 CO 0.82 0.58 1.26 -2.84 0.00 0.00 0.00 175.10 174.91 3dmj s PRO 119 N -0.88 3.81 -0.05 2.72 0.02 -1.26 -1.62 135.00 137.74 3dmj s PRO 119 Ca 0.13 2.02 -0.09 0.00 0.02 0.00 0.00 61.00 63.08 3dmj s PRO 119 Cb -0.11 -2.59 -0.05 0.00 0.02 0.00 0.00 34.50 31.78 3dmj s PRO 119 CO 0.02 -0.58 0.25 -1.17 -0.33 0.00 0.00 177.00 175.19 3dmj s LEU 120 N -2.74 4.41 -0.38 -5.54 2.96 -0.91 -4.62 118.68 111.86 3dmj s LEU 120 Ca 0.61 0.62 -0.33 0.00 -0.22 0.00 0.00 54.13 54.81 3dmj s LEU 120 Cb -0.35 -2.38 -0.11 0.00 0.50 0.00 0.00 46.19 43.86 3dmj s LEU 120 CO 0.44 0.34 2.24 -0.67 -1.32 0.00 0.00 176.35 177.38 3dmj n ASP 121 N 1.69 2.17 -0.40 3.68 2.03 -1.26 -4.74 116.55 119.71 3dmj n ASP 121 Ca -0.16 0.30 0.33 0.00 0.52 0.00 0.00 54.79 55.78 3dmj n ASP 121 Cb 0.54 -1.30 0.63 0.00 -0.72 0.00 0.00 41.12 40.26 3dmj n ASP 121 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3dmj h GLU 122 N 13.25 0.17 -0.15 -0.67 9.09 -1.93 0.54 114.58 134.88 3dmj h GLU 122 Ca -0.27 -0.01 -0.07 0.00 0.05 0.00 0.00 59.36 59.06 3dmj h GLU 122 Cb 1.31 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 3dmj h GLU 122 CO 1.04 0.11 -0.23 -0.44 0.05 0.00 0.00 179.01 179.54 3dmj h ASP 123 N 0.17 0.25 1.19 3.06 3.32 -1.95 -3.13 116.42 119.33 3dmj h ASP 123 Ca 0.72 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.62 3dmj h ASP 123 Cb 2.25 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.72 3dmj h ASP 123 CO -0.30 0.50 -0.85 0.15 -1.72 0.00 0.00 179.24 177.02 3dmj h PHE 124 N 0.23 0.00 -1.21 4.55 3.57 -0.21 -3.38 116.94 120.49 3dmj h PHE 124 Ca 0.04 0.00 0.35 0.00 3.53 0.00 0.00 57.97 61.89 3dmj h PHE 124 Cb 0.55 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 3dmj h PHE 124 CO 0.01 0.30 0.87 0.00 -2.23 0.00 0.00 178.31 177.26 3dmj h ARG 125 N 0.00 0.01 -0.90 1.11 3.08 -1.38 -1.29 114.38 115.01 3dmj h ARG 125 Ca -0.05 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3dmj h ARG 125 Cb 1.28 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 3dmj h ARG 125 CO 0.03 0.00 0.60 1.57 -1.07 0.00 0.00 179.97 181.10 3dmj h LYS 126 N 0.01 1.16 0.00 0.04 2.10 -1.78 -2.09 116.57 116.00 3dmj h LYS 126 Ca 0.58 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 59.14 3dmj h LYS 126 Cb 2.31 -0.26 -0.00 0.00 -0.90 0.00 0.00 32.23 33.38 3dmj h LYS 126 CO -0.01 0.77 -0.07 1.88 -2.00 0.00 0.00 179.45 180.02 3dmj h TYR 127 N 1.19 0.00 -0.01 0.07 0.05 -1.55 -2.52 116.97 114.20 3dmj h TYR 127 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.12 3dmj h TYR 127 Cb -0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.65 3dmj h TYR 127 CO -0.00 0.07 0.00 0.25 -1.05 0.00 0.00 178.16 177.43 3dmj n THR 128 N -3.46 0.02 -1.72 -2.88 -2.24 -0.79 -4.61 114.28 98.61 3dmj n THR 128 Ca -0.02 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 3dmj n THR 128 Cb 0.21 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 3dmj n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dmj n ALA 129 N -0.73 1.97 -2.13 6.98 0.00 -0.95 -4.26 120.51 121.39 3dmj n ALA 129 Ca 0.16 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.90 3dmj n ALA 129 Cb 0.10 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 3dmj n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3dmj s PHE 130 N -0.06 0.71 -0.07 0.00 -0.12 -0.37 -0.18 117.98 117.89 3dmj s PHE 130 Ca 0.65 -1.02 0.02 0.00 -0.05 0.00 0.00 56.93 56.53 3dmj s PHE 130 Cb -0.56 -0.45 0.02 0.00 -0.63 0.00 0.00 43.02 41.40 3dmj s PHE 130 CO 0.49 -0.29 -0.11 0.99 -0.05 0.00 0.00 175.22 176.25 3dmj s THR 131 N -3.80 1.08 -0.24 -4.49 2.01 -1.24 -2.20 115.64 106.75 3dmj s THR 131 Ca 0.10 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.43 3dmj s THR 131 Cb 0.07 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 3dmj s THR 131 CO -0.07 0.35 0.83 -0.63 -0.69 0.00 0.00 174.62 174.41 3dmj s ILE 132 N 0.82 4.84 0.75 1.82 1.01 0.69 -4.63 121.20 126.50 3dmj s ILE 132 Ca -0.12 1.57 -0.10 0.00 0.00 0.00 0.00 60.65 62.01 3dmj s ILE 132 Cb -0.15 -4.12 0.15 0.00 0.01 0.00 0.00 42.46 38.35 3dmj s ILE 132 CO 0.02 -0.07 0.34 -2.65 0.00 0.00 0.00 174.94 172.58 3dmj n PRO 133 N 5.98 -1.34 -4.20 2.79 -0.02 -1.26 -0.76 135.00 136.19 3dmj n PRO 133 Ca 0.06 -0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 60.84 3dmj n PRO 133 Cb 0.48 -1.08 -0.10 0.00 -0.02 0.00 0.00 33.50 32.77 3dmj n PRO 133 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dmj s SER 134 N -1.98 0.17 -0.06 2.55 1.04 -1.26 -4.36 113.70 109.80 3dmj s SER 134 Ca 0.27 -1.38 -0.00 0.00 0.48 0.00 0.00 55.95 55.32 3dmj s SER 134 Cb -0.05 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.49 3dmj s SER 134 CO 0.22 -0.83 1.79 -0.38 0.98 0.00 0.00 173.24 175.02 3dmj n ILE 135 N -0.26 1.94 0.00 -1.02 2.08 -1.26 -4.84 119.36 116.00 3dmj n ILE 135 Ca 0.02 -0.61 0.00 0.00 0.56 0.00 0.00 62.75 62.71 3dmj n ILE 135 Cb 0.66 -1.35 0.00 0.00 -0.75 0.00 0.00 39.64 38.20 3dmj n ILE 135 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3dmj n GLU 138 N 1.05 0.00 -2.41 0.38 2.13 -1.26 -5.11 120.64 115.42 3dmj n GLU 138 Ca 0.06 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.63 3dmj n GLU 138 Cb 0.54 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.39 3dmj n GLU 138 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3dmj s THR 139 N 0.00 2.02 0.15 6.31 -4.23 -1.26 -5.01 115.64 113.62 3dmj s THR 139 Ca 0.00 -0.43 -0.31 0.00 -1.18 0.00 0.00 61.69 59.77 3dmj s THR 139 Cb 0.00 -2.60 -0.10 0.00 1.34 0.00 0.00 72.50 71.15 3dmj s THR 139 CO 0.00 0.00 1.58 -2.84 -0.54 0.00 0.00 174.62 172.82 3dmj s PRO 140 N -5.41 4.21 0.88 3.99 0.02 -1.26 -4.62 135.00 132.81 3dmj s PRO 140 Ca 0.70 2.36 -0.12 0.00 0.02 0.00 0.00 61.00 63.96 3dmj s PRO 140 Cb -0.04 -3.23 0.16 0.00 0.02 0.00 0.00 34.50 31.41 3dmj s PRO 140 CO 0.48 -0.63 1.23 0.20 -0.33 0.00 0.00 177.00 177.95 3dmj s GLY 141 N 1.37 1.75 -0.10 0.52 0.00 -1.26 -4.83 107.32 104.76 3dmj s GLY 141 Ca 0.71 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.99 3dmj s GLY 141 CO 0.31 -0.53 0.70 -0.42 0.00 0.00 0.00 173.10 173.16 3dmj s ILE 142 N -3.68 5.03 -0.14 0.90 1.01 0.06 -4.85 121.20 119.53 3dmj s ILE 142 Ca 0.70 1.41 -0.04 0.00 0.00 0.00 0.00 60.65 62.72 3dmj s ILE 142 Cb -0.05 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 3dmj s ILE 142 CO 0.50 0.21 -0.00 -0.13 0.00 0.00 0.00 174.94 175.52 3dmj s ARG 143 N 1.12 3.53 0.30 2.79 0.52 -1.26 -0.22 118.95 125.74 3dmj s ARG 143 Ca 0.36 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 3dmj s ARG 143 Cb -0.17 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 3dmj s ARG 143 CO 0.16 0.39 0.16 0.71 0.02 0.00 0.00 175.30 176.74 3dmj s TYR 144 N -0.01 1.60 -0.00 -0.53 1.51 -0.94 -1.26 117.35 117.72 3dmj s TYR 144 Ca 0.03 -1.37 -0.19 0.00 -1.01 0.00 0.00 57.07 54.53 3dmj s TYR 144 Cb -0.13 -0.86 0.03 0.00 -0.11 0.00 0.00 41.96 40.90 3dmj s TYR 144 CO 0.02 -0.52 0.40 1.14 -1.11 0.00 0.00 175.55 175.49 3dmj s GLN 145 N -3.82 0.81 0.33 -0.62 -2.07 -0.87 -1.23 119.66 112.19 3dmj s GLN 145 Ca 0.36 -0.16 -0.26 0.00 -1.82 0.00 0.00 55.36 53.47 3dmj s GLN 145 Cb 0.05 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.24 3dmj s GLN 145 CO 0.17 -0.25 0.95 0.71 -1.32 0.00 0.00 175.29 175.56 3dmj s TYR 146 N -1.64 3.66 -1.42 9.60 2.02 -1.26 -0.36 117.35 127.95 3dmj s TYR 146 Ca -0.11 1.77 0.12 0.00 -0.37 0.00 0.00 57.07 58.49 3dmj s TYR 146 Cb -0.03 -2.94 0.07 0.00 -0.40 0.00 0.00 41.96 38.66 3dmj s TYR 146 CO 0.03 0.14 0.84 0.09 -1.57 0.00 0.00 175.55 175.08 3dmj n ASN 147 N 0.52 1.84 -3.80 2.29 3.02 0.19 -4.73 115.26 114.59 3dmj n ASN 147 Ca 0.02 -1.42 -0.19 0.00 -0.03 0.00 0.00 54.58 52.96 3dmj n ASN 147 Cb 0.50 0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.71 3dmj n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dmj s VAL 148 N -1.16 0.19 -0.19 2.41 -7.23 -1.22 -2.13 120.40 111.06 3dmj s VAL 148 Ca 0.13 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 3dmj s VAL 148 Cb 0.10 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 3dmj s VAL 148 CO 0.19 0.00 1.96 -0.76 -0.31 0.00 0.00 175.10 176.19 3dmj s LEU 149 N -3.37 3.73 0.26 1.32 1.43 -0.64 -4.55 118.68 116.86 3dmj s LEU 149 Ca 0.37 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 55.03 3dmj s LEU 149 Cb 0.04 -3.52 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 3dmj s LEU 149 CO 0.20 -1.60 1.39 -2.84 0.23 0.00 0.00 176.35 173.73 3dmj s PRO 150 N 5.52 4.31 0.18 1.29 0.02 -1.26 -4.01 135.00 141.04 3dmj s PRO 150 Ca 0.88 2.24 -0.31 0.00 0.02 0.00 0.00 61.00 63.84 3dmj s PRO 150 Cb -0.31 -3.11 -0.09 0.00 0.02 0.00 0.00 34.50 31.01 3dmj s PRO 150 CO 0.35 -0.34 1.44 -0.65 -0.33 0.00 0.00 177.00 177.47 3dmj s GLN 151 N -0.69 4.29 0.00 5.54 -1.52 -1.26 -2.22 119.66 123.79 3dmj s GLN 151 Ca 0.56 2.22 0.00 0.00 -1.95 0.00 0.00 55.36 56.19 3dmj s GLN 151 Cb -0.41 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.21 3dmj s GLN 151 CO 0.45 -0.45 0.00 0.41 -0.25 0.00 0.00 175.29 175.45 3dmj n GLY 152 N 3.02 1.03 3.81 3.09 0.00 -1.26 -4.85 105.19 110.03 3dmj n GLY 152 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3dmj n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dmj s TRP 153 N -2.27 3.54 0.24 1.61 -0.00 -0.94 -4.72 118.94 116.40 3dmj s TRP 153 Ca 0.00 1.55 -0.07 0.00 -0.00 0.00 0.00 56.10 57.58 3dmj s TRP 153 Cb 0.00 -2.76 0.42 0.00 -0.00 0.00 0.00 33.47 31.13 3dmj s TRP 153 CO 0.00 0.15 1.66 -0.22 -0.00 0.00 0.00 176.95 178.54 3dmj h LYS 154 N 2.79 0.16 0.00 5.86 3.64 -1.92 -2.94 116.57 124.15 3dmj h LYS 154 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3dmj h LYS 154 Cb 1.19 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3dmj h LYS 154 CO 0.64 0.10 -0.39 0.41 -2.27 0.00 0.00 179.45 177.94 3dmj n GLY 155 N -1.38 -1.32 0.30 5.01 0.00 -1.26 -4.37 105.19 102.17 3dmj n GLY 155 Ca 0.13 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.90 3dmj n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dmj h SER 156 N 0.00 0.62 -0.22 1.61 0.02 -1.81 -0.45 113.55 113.31 3dmj h SER 156 Ca 0.00 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3dmj h SER 156 Cb 0.52 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3dmj h SER 156 CO 0.00 0.33 0.07 -0.65 -1.14 0.00 0.00 176.83 175.44 3dmj h PRO 157 N 0.73 0.35 -0.13 3.45 0.11 -1.78 -0.48 132.00 134.25 3dmj h PRO 157 Ca 0.41 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.41 3dmj h PRO 157 Cb 0.43 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 3dmj h PRO 157 CO -0.28 0.44 -0.04 0.00 -0.21 0.00 0.00 178.00 177.91 3dmj h ALA 158 N 0.89 0.19 -0.76 -0.75 0.00 -1.78 -1.07 119.26 115.98 3dmj h ALA 158 Ca 0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3dmj h ALA 158 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3dmj h ALA 158 CO -0.00 -0.05 0.26 0.82 0.00 0.00 0.00 179.25 180.28 3dmj h ILE 159 N -0.06 1.26 -0.12 0.00 2.04 -1.12 0.12 117.51 119.63 3dmj h ILE 159 Ca 0.03 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 3dmj h ILE 159 Cb 0.48 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3dmj h ILE 159 CO 0.02 0.35 0.06 0.15 0.00 0.00 0.00 178.15 178.73 3dmj h PHE 160 N 1.11 0.17 -0.61 1.37 3.04 -1.01 -0.69 116.94 120.32 3dmj h PHE 160 Ca 0.25 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 3dmj h PHE 160 Cb 0.27 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 3dmj h PHE 160 CO 0.02 0.19 0.27 0.37 -2.02 0.00 0.00 178.31 177.14 3dmj h GLN 161 N 0.09 0.87 -0.31 1.11 4.15 -0.80 0.90 115.11 121.12 3dmj h GLN 161 Ca 0.04 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 3dmj h GLN 161 Cb 0.08 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3dmj h GLN 161 CO -0.01 0.69 0.12 1.03 -1.93 0.00 0.00 178.83 178.73 3dmj h SER 162 N 0.86 0.44 -0.04 -0.69 0.87 -0.53 -1.74 113.55 112.72 3dmj h SER 162 Ca 0.21 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3dmj h SER 162 Cb 0.13 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3dmj h SER 162 CO -0.02 0.49 0.01 0.28 -0.53 0.00 0.00 176.83 177.06 3dmj h SER 163 N 0.35 0.01 -0.21 6.23 0.02 -0.59 -2.07 113.55 117.29 3dmj h SER 163 Ca 0.10 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3dmj h SER 163 Cb 0.20 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3dmj h SER 163 CO -0.01 0.01 0.14 -0.03 -1.14 0.00 0.00 176.83 175.81 3dmj h MET 164 N 0.03 0.21 -0.17 3.45 -1.53 -0.73 -2.06 114.93 114.13 3dmj h MET 164 Ca 0.02 -0.01 -0.07 0.00 -3.44 0.00 0.00 59.70 56.20 3dmj h MET 164 Cb 0.01 -0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.01 3dmj h MET 164 CO -0.02 0.14 -0.15 1.15 0.14 0.00 0.00 176.91 178.17 3dmj h THR 165 N 0.22 1.33 -0.01 -0.77 2.02 -0.67 -1.79 112.91 113.24 3dmj h THR 165 Ca 0.08 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 66.00 3dmj h THR 165 Cb 0.07 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3dmj h THR 165 CO -0.02 0.39 -0.16 0.11 0.37 0.00 0.00 175.52 176.21 3dmj h LYS 166 N 0.07 -0.24 -0.56 6.66 1.57 -0.89 -2.35 116.57 120.82 3dmj h LYS 166 Ca 0.03 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3dmj h LYS 166 Cb 0.68 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 3dmj h LYS 166 CO 0.04 -0.16 0.19 0.82 -0.57 0.00 0.00 179.45 179.77 3dmj h ILE 167 N -0.25 0.77 0.00 1.86 2.04 -1.37 -1.33 117.51 119.22 3dmj h ILE 167 Ca 0.06 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3dmj h ILE 167 Cb 0.33 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3dmj h ILE 167 CO -0.16 0.07 0.00 0.18 0.00 0.00 0.00 178.15 178.24 3dmj n LEU 168 N -5.02 0.00 0.35 1.44 4.77 -0.68 -4.11 117.00 113.75 3dmj n LEU 168 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 3dmj n LEU 168 Cb 0.25 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3dmj n LEU 168 CO 0.22 0.00 0.50 -0.08 -1.33 0.00 0.00 177.39 176.70 3dmj h GLU 169 N 0.00 -0.86 0.13 3.23 4.81 -0.71 -2.40 114.58 118.77 3dmj h GLU 169 Ca 0.00 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3dmj h GLU 169 Cb 0.00 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3dmj h GLU 169 CO 0.00 -0.54 -0.13 -1.00 -0.73 0.00 0.00 179.01 176.62 3dmj h PRO 170 N -1.09 -0.27 -0.93 0.92 0.13 -1.76 -2.61 132.00 126.39 3dmj h PRO 170 Ca -0.09 0.02 0.19 0.00 -0.87 0.00 0.00 66.00 65.25 3dmj h PRO 170 Cb 0.72 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 31.81 3dmj h PRO 170 CO 0.15 -0.18 0.50 0.35 -0.23 0.00 0.00 178.00 178.59 3dmj h PHE 171 N -0.28 0.87 -0.52 1.56 3.57 -1.79 -0.95 116.94 119.40 3dmj h PHE 171 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3dmj h PHE 171 Cb 0.27 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3dmj h PHE 171 CO -0.12 0.14 0.26 0.00 -2.23 0.00 0.00 178.31 176.36 3dmj h ARG 172 N 0.62 0.74 0.00 1.11 3.08 -1.11 -1.49 114.38 117.33 3dmj h ARG 172 Ca 0.55 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.44 3dmj h ARG 172 Cb 0.89 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3dmj h ARG 172 CO -0.42 0.60 -0.26 0.87 -1.07 0.00 0.00 179.97 179.69 3dmj h LYS 173 N 0.69 0.00 -0.00 0.04 1.57 -0.85 -2.59 116.57 115.44 3dmj h LYS 173 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3dmj h LYS 173 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dmj h LYS 173 CO -0.02 0.26 -0.34 1.04 -0.57 0.00 0.00 179.45 179.81 3dmj n GLN 174 N -4.13 0.05 -2.96 3.15 6.02 -0.73 -4.37 117.38 114.41 3dmj n GLN 174 Ca -0.02 -0.03 -0.14 0.00 -0.01 0.00 0.00 57.00 56.80 3dmj n GLN 174 Cb 0.32 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.08 3dmj n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3dmj n ASN 175 N -1.45 0.88 0.20 1.08 3.02 -0.61 -4.95 115.26 113.43 3dmj n ASN 175 Ca 0.06 -2.91 0.09 0.00 -0.03 0.00 0.00 54.58 51.80 3dmj n ASN 175 Cb 0.33 -0.45 0.48 0.00 -0.61 0.00 0.00 39.78 39.53 3dmj n ASN 175 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3dmj h PRO 176 N 2.98 0.00 0.09 3.52 0.13 -1.73 0.71 132.00 137.70 3dmj h PRO 176 Ca 0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.86 3dmj h PRO 176 Cb 1.06 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.21 3dmj h PRO 176 CO 0.47 0.00 -1.16 -0.44 -0.23 0.00 0.00 178.00 176.64 3dmj h ASP 177 N 0.00 0.68 -3.91 1.44 3.32 -1.92 -3.45 116.42 112.58 3dmj h ASP 177 Ca 0.00 -0.62 -0.49 0.00 0.02 0.00 0.00 57.03 55.94 3dmj h ASP 177 Cb 0.53 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 39.88 3dmj h ASP 177 CO 0.00 1.44 0.43 -0.63 -1.72 0.00 0.00 179.24 178.76 3dmj s ILE 178 N -2.99 3.64 -0.12 0.35 1.01 0.24 -4.72 121.20 118.61 3dmj s ILE 178 Ca -0.07 1.38 0.01 0.00 0.00 0.00 0.00 60.65 61.98 3dmj s ILE 178 Cb 0.07 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.78 3dmj s ILE 178 CO 0.90 0.13 -0.15 0.54 0.00 0.00 0.00 174.94 176.36 3dmj s VAL 179 N -1.49 1.52 -0.17 2.92 0.11 -0.44 -4.98 120.40 117.87 3dmj s VAL 179 Ca 0.53 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 3dmj s VAL 179 Cb -0.25 -1.40 -0.00 0.00 -1.53 0.00 0.00 36.38 33.19 3dmj s VAL 179 CO 0.32 0.45 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.78 3dmj s ILE 180 N 1.15 2.82 -0.13 7.04 1.01 -1.26 -1.24 121.20 130.60 3dmj s ILE 180 Ca -0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 3dmj s ILE 180 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3dmj s ILE 180 CO -0.05 0.50 0.13 0.00 0.00 0.00 0.00 174.94 175.53 3dmj s GLN 182 N -0.83 3.19 -0.25 0.00 -0.21 -1.26 -1.67 119.66 118.63 3dmj s GLN 182 Ca 0.14 -0.76 -0.02 0.00 0.02 0.00 0.00 55.36 54.74 3dmj s GLN 182 Cb -0.12 -3.09 0.12 0.00 1.00 0.00 0.00 33.01 30.92 3dmj s GLN 182 CO 0.03 -0.30 0.30 -0.47 -2.12 0.00 0.00 175.29 172.73 3dmj s TYR 183 N 1.45 -0.55 0.00 0.91 6.14 -0.89 -5.04 117.35 119.38 3dmj s TYR 183 Ca 0.04 0.30 0.00 0.00 0.64 0.00 0.00 57.07 58.04 3dmj s TYR 183 Cb -0.15 -0.26 0.00 0.00 0.42 0.00 0.00 41.96 41.96 3dmj s TYR 183 CO -0.02 -0.76 0.00 -1.33 0.64 0.00 0.00 175.55 174.08 3dmj n MET 184 N 5.33 0.00 -0.05 4.97 2.81 -1.26 -2.03 117.12 126.90 3dmj n MET 184 Ca -0.04 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.85 3dmj n MET 184 Cb 0.49 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.00 3dmj n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dmj n ASP 185 N 0.57 2.99 -4.15 7.83 10.43 -1.26 -4.86 116.55 128.11 3dmj n ASP 185 Ca 0.00 -2.06 -0.15 0.00 2.57 0.00 0.00 54.79 55.15 3dmj n ASP 185 Cb 0.00 -0.51 -0.11 0.00 1.84 0.00 0.00 41.12 42.33 3dmj n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3dmj s ASP 186 N 0.89 1.35 -0.09 -2.24 1.01 -0.86 -0.91 116.67 115.82 3dmj s ASP 186 Ca 0.02 -0.71 0.03 0.00 0.71 0.00 0.00 52.55 52.60 3dmj s ASP 186 Cb 0.02 0.00 0.01 0.00 1.01 0.00 0.00 42.92 43.96 3dmj s ASP 186 CO 0.00 -0.21 -0.17 -0.76 0.21 0.00 0.00 175.17 174.25 3dmj s LEU 187 N -2.09 1.80 -0.22 1.23 1.43 -0.37 -2.09 118.68 118.36 3dmj s LEU 187 Ca 0.00 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3dmj s LEU 187 Cb -0.06 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.10 3dmj s LEU 187 CO 0.00 0.07 -0.09 -0.31 0.23 0.00 0.00 176.35 176.25 3dmj s TYR 188 N 0.65 2.97 -0.20 0.29 1.51 -0.67 0.40 117.35 122.30 3dmj s TYR 188 Ca -0.14 -1.44 -0.02 0.00 -1.01 0.00 0.00 57.07 54.46 3dmj s TYR 188 Cb -0.16 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.66 3dmj s TYR 188 CO 0.04 -0.71 -0.11 0.08 -1.11 0.00 0.00 175.55 173.74 3dmj s VAL 189 N 1.35 2.82 0.17 0.71 1.01 0.98 0.20 120.40 127.64 3dmj s VAL 189 Ca 0.03 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3dmj s VAL 189 Cb -0.15 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3dmj s VAL 189 CO -0.06 0.48 -0.06 -0.83 0.00 0.00 0.00 175.10 174.62 3dmj s GLY 190 N 1.32 1.21 -0.01 4.51 0.00 -0.37 0.18 107.32 114.15 3dmj s GLY 190 Ca 0.04 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 42.89 3dmj s GLY 190 CO -0.06 -1.60 1.11 -1.35 0.00 0.00 0.00 173.10 171.19 3dmj s SER 191 N -3.20 -0.17 -0.30 1.64 1.04 0.03 -1.33 113.70 111.41 3dmj s SER 191 Ca 0.20 -0.14 0.11 0.00 0.48 0.00 0.00 55.95 56.60 3dmj s SER 191 Cb 0.04 0.28 0.67 0.00 0.10 0.00 0.00 66.02 67.11 3dmj s SER 191 CO 0.03 -0.49 1.70 0.47 0.98 0.00 0.00 173.24 175.92 3dmj n ASP 192 N -0.34 4.28 -4.85 7.02 8.00 -1.26 -1.34 116.55 128.06 3dmj n ASP 192 Ca -0.06 -3.29 -0.31 0.00 0.71 0.00 0.00 54.79 51.84 3dmj n ASP 192 Cb 0.61 -0.70 0.03 0.00 -0.02 0.00 0.00 41.12 41.04 3dmj n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dmj s LEU 193 N -3.02 3.17 0.33 0.64 1.43 -1.26 -4.86 118.68 115.11 3dmj s LEU 193 Ca 0.52 1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 54.80 3dmj s LEU 193 Cb 0.42 -4.45 -0.11 0.00 0.03 0.00 0.00 46.19 42.08 3dmj s LEU 193 CO 0.11 -1.10 1.43 -1.61 0.23 0.00 0.00 176.35 175.40 3dmj s GLU 194 N -5.14 4.22 0.54 1.70 2.02 -1.26 -4.57 118.70 116.21 3dmj s GLU 194 Ca 0.56 2.40 0.44 0.00 0.02 0.00 0.00 54.97 58.39 3dmj s GLU 194 Cb -0.12 -3.04 1.65 0.00 0.10 0.00 0.00 34.13 32.72 3dmj s GLU 194 CO 0.54 -0.41 1.65 -0.84 0.02 0.00 0.00 175.26 176.23 3dmj h ILE 195 N 3.15 0.15 0.04 -1.63 3.07 -1.95 1.04 117.51 121.38 3dmj h ILE 195 Ca -0.49 -0.00 -0.25 0.00 1.55 0.00 0.00 64.86 65.67 3dmj h ILE 195 Cb 1.23 0.13 0.01 0.00 -0.27 0.00 0.00 36.82 37.92 3dmj h ILE 195 CO 0.69 0.00 -1.04 1.23 -1.05 0.00 0.00 178.15 177.98 3dmj h GLY 196 N 0.01 0.50 0.75 0.16 0.00 -1.99 -2.37 103.07 100.13 3dmj h GLY 196 Ca 0.81 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3dmj h GLY 196 CO -0.05 0.83 -0.08 1.46 0.00 0.00 0.00 176.54 178.70 3dmj h GLN 197 N 0.23 0.32 0.13 4.80 4.20 0.68 -1.89 115.11 123.57 3dmj h GLN 197 Ca -0.11 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.48 3dmj h GLN 197 Cb 1.70 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.42 3dmj h GLN 197 CO 0.18 0.65 -0.44 1.25 -0.67 0.00 0.00 178.83 179.80 3dmj h HIS 198 N -0.01 -1.25 -1.01 2.96 2.76 -0.97 -1.60 115.15 116.04 3dmj h HIS 198 Ca 0.03 0.03 0.23 0.00 -2.20 0.00 0.00 60.37 58.46 3dmj h HIS 198 Cb 0.55 0.53 -0.11 0.00 1.55 0.00 0.00 27.41 29.93 3dmj h HIS 198 CO 0.07 -0.54 0.62 -0.09 -1.30 0.00 0.00 177.93 176.69 3dmj h ARG 199 N -0.68 0.58 -0.50 5.26 2.43 -1.39 0.06 114.38 120.15 3dmj h ARG 199 Ca 0.02 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 3dmj h ARG 199 Cb 0.70 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3dmj h ARG 199 CO -0.25 0.39 -0.06 1.15 -1.51 0.00 0.00 179.97 179.68 3dmj h THR 200 N 0.60 1.27 -0.26 0.20 2.02 -0.47 -1.77 112.91 114.50 3dmj h THR 200 Ca 0.60 -1.18 -0.13 0.00 0.77 0.00 0.00 66.41 66.48 3dmj h THR 200 Cb 1.16 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3dmj h THR 200 CO -0.39 0.41 -0.36 0.11 0.37 0.00 0.00 175.52 175.66 3dmj h LYS 201 N 0.78 0.57 0.08 6.66 1.79 -0.24 0.01 116.57 126.23 3dmj h LYS 201 Ca 0.13 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3dmj h LYS 201 Cb 0.60 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 3dmj h LYS 201 CO 0.04 0.85 -0.09 0.82 -1.08 0.00 0.00 179.45 179.99 3dmj h ILE 202 N 0.48 0.80 0.00 1.86 1.08 -0.91 0.76 117.51 121.58 3dmj h ILE 202 Ca 0.05 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 3dmj h ILE 202 Cb 0.85 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 35.40 3dmj h ILE 202 CO 0.07 0.00 -0.10 -0.08 -0.69 0.00 0.00 178.15 177.35 3dmj h GLU 203 N -0.19 0.00 -0.38 2.37 4.57 -1.02 0.34 114.58 120.27 3dmj h GLU 203 Ca 0.01 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3dmj h GLU 203 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3dmj h GLU 203 CO -0.03 0.10 -0.00 1.49 -1.18 0.00 0.00 179.01 179.39 3dmj h GLU 204 N 0.00 0.67 -0.07 1.92 4.81 0.14 -2.25 114.58 119.80 3dmj h GLU 204 Ca -0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 3dmj h GLU 204 Cb 0.18 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 3dmj h GLU 204 CO 0.01 0.77 0.01 1.25 -0.73 0.00 0.00 179.01 180.33 3dmj h LEU 205 N 0.49 0.11 -0.14 1.64 6.46 0.43 0.23 115.31 124.52 3dmj h LEU 205 Ca 0.11 -0.25 0.05 0.00 -0.12 0.00 0.00 57.88 57.66 3dmj h LEU 205 Cb 0.47 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.30 3dmj h LEU 205 CO 0.02 0.33 -0.35 0.03 -0.62 0.00 0.00 178.44 177.85 3dmj h ARG 206 N -0.12 -0.40 -1.00 1.25 3.08 -0.97 0.60 114.38 116.82 3dmj h ARG 206 Ca 0.02 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.25 3dmj h ARG 206 Cb 0.27 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.31 3dmj h ARG 206 CO 0.00 -0.27 0.62 1.96 -1.07 0.00 0.00 179.97 181.21 3dmj h GLN 207 N -0.42 0.85 -0.30 0.04 4.20 -1.31 0.60 115.11 118.78 3dmj h GLN 207 Ca 0.09 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 3dmj h GLN 207 Cb 0.57 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3dmj h GLN 207 CO -0.37 0.57 -0.21 1.25 -0.67 0.00 0.00 178.83 179.39 3dmj h HIS 208 N 0.88 0.79 -0.54 2.96 2.76 0.14 -0.48 115.15 121.65 3dmj h HIS 208 Ca 0.54 -0.22 -0.11 0.00 -2.20 0.00 0.00 60.37 58.38 3dmj h HIS 208 Cb 0.69 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 3dmj h HIS 208 CO -0.01 0.93 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.39 3dmj h LEU 209 N 0.42 1.01 -0.26 0.26 3.38 0.10 -2.51 115.31 117.71 3dmj h LEU 209 Ca 0.06 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3dmj h LEU 209 Cb 0.76 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3dmj h LEU 209 CO 0.06 1.11 -0.06 0.25 0.09 0.00 0.00 178.44 179.89 3dmj h LEU 210 N 0.90 -0.22 -1.53 1.67 5.85 0.32 0.39 115.31 122.70 3dmj h LEU 210 Ca 0.14 0.08 0.36 0.00 0.84 0.00 0.00 57.88 59.30 3dmj h LEU 210 Cb 0.65 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 3dmj h LEU 210 CO 0.05 -0.08 0.81 -0.09 -0.34 0.00 0.00 178.44 178.79 3dmj h ARG 211 N 0.01 0.18 -0.65 1.25 2.43 -0.63 0.34 114.38 117.32 3dmj h ARG 211 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3dmj h ARG 211 Cb 0.19 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3dmj h ARG 211 CO -0.26 0.12 0.00 0.91 -1.51 0.00 0.00 179.97 179.23 3dmj n TRP 212 N -4.53 1.41 -1.26 2.20 7.02 0.04 -4.90 117.44 117.41 3dmj n TRP 212 Ca 0.31 -0.52 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 3dmj n TRP 212 Cb 1.22 -0.31 0.00 0.00 -2.42 0.00 0.00 31.31 29.79 3dmj n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3dmj n GLY 213 N 0.75 0.42 3.07 6.99 0.00 0.12 -4.09 105.19 112.45 3dmj n GLY 213 Ca 0.21 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 3dmj n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dmj s LEU 214 N 0.00 5.04 0.19 0.99 1.02 -0.64 -4.48 118.68 120.80 3dmj s LEU 214 Ca 0.00 -2.60 -0.31 0.00 0.02 0.00 0.00 54.13 51.25 3dmj s LEU 214 Cb 0.00 -1.79 -0.10 0.00 0.02 0.00 0.00 46.19 44.32 3dmj s LEU 214 CO 0.00 -0.39 1.47 0.42 0.02 0.00 0.00 176.35 177.86 3dmj s THR 215 N 0.31 2.78 0.26 5.49 -4.23 -1.26 -3.27 115.64 115.73 3dmj s THR 215 Ca 0.14 0.61 0.08 0.00 -1.18 0.00 0.00 61.69 61.33 3dmj s THR 215 Cb -0.22 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 3dmj s THR 215 CO -0.03 0.07 0.15 0.28 -0.54 0.00 0.00 174.62 174.54 3dmj s THR 216 N 0.58 4.08 1.00 3.99 -1.32 -1.26 -4.78 115.64 117.93 3dmj s THR 216 Ca 0.64 -1.55 -0.19 0.00 -1.21 0.00 0.00 61.69 59.38 3dmj s THR 216 Cb -0.41 -3.23 -0.15 0.00 -1.51 0.00 0.00 72.50 67.20 3dmj s THR 216 CO 0.37 -0.34 -0.89 -2.65 -2.21 0.00 0.00 174.62 168.89 3dmj n PRO 217 N -1.11 -0.05 -4.25 7.08 -0.02 -1.25 -5.05 135.00 130.35 3dmj n PRO 217 Ca -0.07 -0.01 -0.29 0.00 -2.02 0.00 0.00 63.50 61.11 3dmj n PRO 217 Cb 0.58 -1.06 -0.04 0.00 -0.02 0.00 0.00 33.50 32.96 3dmj n PRO 217 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3dmj s ASP 218 N -1.07 4.42 0.66 2.55 1.47 -1.26 -4.94 116.67 118.50 3dmj s ASP 218 Ca 0.40 -1.39 0.44 0.00 1.18 0.00 0.00 52.55 53.18 3dmj s ASP 218 Cb -0.12 0.39 2.38 0.00 -0.34 0.00 0.00 42.92 45.23 3dmj s ASP 218 CO 0.78 -0.96 2.36 0.11 0.68 0.00 0.00 175.17 178.14 3dmj h LYS 219 N 1.04 0.00 0.00 2.11 1.57 -1.96 -1.84 116.57 117.48 3dmj h LYS 219 Ca -0.40 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 3dmj h LYS 219 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 3dmj h LYS 219 CO 0.65 0.00 -0.78 -0.22 -0.57 0.00 0.00 179.45 178.53 3dmj h LYS 220 N 0.00 0.00 0.00 3.15 3.64 -2.03 -3.34 116.57 117.99 3dmj h LYS 220 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dmj h LYS 220 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3dmj h LYS 220 CO 0.00 0.38 -1.60 0.72 -2.27 0.00 0.00 179.45 176.68 3dmj n HIS 221 N -3.08 0.01 -1.69 1.91 8.25 -0.88 -4.97 115.22 114.77 3dmj n HIS 221 Ca -0.01 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.00 3dmj n HIS 221 Cb 0.75 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 3dmj n HIS 221 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3dmj n GLN 222 N -1.98 2.42 -3.09 -0.41 1.13 -0.75 -4.92 117.38 109.79 3dmj n GLN 222 Ca -0.01 0.87 -0.28 0.00 -1.94 0.00 0.00 57.00 55.65 3dmj n GLN 222 Cb 0.48 -2.69 -0.02 0.00 0.11 0.00 0.00 30.24 28.12 3dmj n GLN 222 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3dmj s LYS 223 N 1.57 3.62 0.00 -1.09 1.02 -1.26 -5.04 119.74 118.56 3dmj s LYS 223 Ca 0.80 0.10 -0.06 0.00 0.02 0.00 0.00 55.97 56.82 3dmj s LYS 223 Cb -0.60 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3dmj s LYS 223 CO 0.38 0.06 0.12 -1.21 -0.92 0.00 0.00 175.35 173.77 3dmj s GLU 224 N -3.99 0.45 0.56 1.68 0.41 -1.26 -4.82 118.70 111.72 3dmj s GLU 224 Ca 0.46 -0.39 -0.19 0.00 -0.41 0.00 0.00 54.97 54.44 3dmj s GLU 224 Cb -0.10 0.18 -0.07 0.00 -1.78 0.00 0.00 34.13 32.36 3dmj s GLU 224 CO 0.34 -0.10 0.82 -2.30 -0.49 0.00 0.00 175.26 173.53 3dmj n PRO 225 N 1.56 0.84 -1.35 0.39 -0.02 -1.26 -4.56 135.00 130.60 3dmj n PRO 225 Ca -0.22 0.32 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 3dmj n PRO 225 Cb 0.56 -1.98 0.18 0.00 -0.02 0.00 0.00 33.50 32.24 3dmj n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dmj s PRO 226 N -2.38 0.22 -0.08 0.52 0.04 -1.26 -5.11 135.00 126.94 3dmj s PRO 226 Ca 0.71 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.96 3dmj s PRO 226 Cb -0.45 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3dmj s PRO 226 CO 0.51 -2.80 -0.17 -0.06 0.04 0.00 0.00 177.00 174.52 3dmj s PHE 227 N -3.18 2.66 -0.38 0.56 0.08 -0.76 -4.84 117.98 112.12 3dmj s PHE 227 Ca 0.67 -0.48 -0.26 0.00 0.12 0.00 0.00 56.93 56.98 3dmj s PHE 227 Cb -0.13 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 3dmj s PHE 227 CO 0.55 -0.06 0.96 -0.51 -0.10 0.00 0.00 175.22 176.06 3dmj s LEU 228 N -0.22 3.96 -0.28 -0.37 1.43 -1.25 -1.28 118.68 120.66 3dmj s LEU 228 Ca -0.00 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3dmj s LEU 228 Cb -0.13 -3.30 0.09 0.00 0.03 0.00 0.00 46.19 42.87 3dmj s LEU 228 CO 0.03 -0.91 0.06 0.86 0.23 0.00 0.00 176.35 176.63 3dmj s TRP 229 N 3.59 1.84 -1.35 0.29 -0.11 0.11 -4.87 118.94 118.44 3dmj s TRP 229 Ca 0.39 -1.69 -0.20 0.00 1.22 0.00 0.00 56.10 55.82 3dmj s TRP 229 Cb -0.11 -1.68 0.03 0.00 -1.50 0.00 0.00 33.47 30.21 3dmj s TRP 229 CO 0.20 -0.83 0.42 -1.33 -4.62 0.00 0.00 176.95 170.79 3dmj n MET 230 N 4.81 -0.67 -1.00 5.86 2.81 -1.26 0.21 117.12 127.89 3dmj n MET 230 Ca -0.04 0.10 -0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3dmj n MET 230 Cb 0.43 -3.05 -0.00 0.00 -0.71 0.00 0.00 33.22 29.89 3dmj n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dmj n GLY 231 N -2.27 0.48 3.55 3.03 0.00 -1.26 -5.02 105.19 103.70 3dmj n GLY 231 Ca -0.20 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 3dmj n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dmj s TYR 232 N -1.97 2.62 -0.28 1.61 1.51 0.13 -0.12 117.35 120.85 3dmj s TYR 232 Ca 0.00 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3dmj s TYR 232 Cb 0.00 -1.32 0.06 0.00 -0.11 0.00 0.00 41.96 40.58 3dmj s TYR 232 CO 0.00 0.47 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.64 3dmj s GLU 233 N -2.55 2.29 -0.41 -0.62 2.02 0.13 0.06 118.70 119.63 3dmj s GLU 233 Ca 0.22 -1.34 -0.19 0.00 0.02 0.00 0.00 54.97 53.69 3dmj s GLU 233 Cb -0.10 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.11 3dmj s GLU 233 CO 0.14 -0.61 0.56 -0.51 0.02 0.00 0.00 175.26 174.86 3dmj s LEU 234 N 1.16 4.53 0.43 1.80 1.43 -0.40 -0.58 118.68 127.05 3dmj s LEU 234 Ca -0.07 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 3dmj s LEU 234 Cb -0.20 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.42 3dmj s LEU 234 CO -0.03 -0.65 0.58 -1.00 0.23 0.00 0.00 176.35 175.48 3dmj s HIS 235 N 2.54 2.71 0.32 0.29 3.76 0.47 -1.83 115.29 123.54 3dmj s HIS 235 Ca 0.19 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 3dmj s HIS 235 Cb -0.15 -2.36 0.60 0.00 1.11 0.00 0.00 32.58 31.78 3dmj s HIS 235 CO 0.16 -0.47 1.90 -1.35 -0.85 0.00 0.00 174.74 174.14 3dmj h PRO 236 N 0.61 0.91 0.00 8.40 0.11 -1.97 -3.24 132.00 136.82 3dmj h PRO 236 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dmj h PRO 236 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3dmj h PRO 236 CO 0.45 0.60 -0.04 -0.40 -0.21 0.00 0.00 178.00 178.41 3dmj n ASP 237 N -4.51 1.93 -3.61 -2.05 3.85 -1.26 -4.78 116.55 106.12 3dmj n ASP 237 Ca 0.14 -2.50 -0.01 0.00 -0.71 0.00 0.00 54.79 51.71 3dmj n ASP 237 Cb 0.26 -0.23 -0.01 0.00 -1.35 0.00 0.00 41.12 39.78 3dmj n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3dmj s LYS 238 N -1.83 0.19 0.23 0.11 -2.85 -1.22 -4.69 119.74 109.68 3dmj s LYS 238 Ca 0.16 -0.09 0.10 0.00 -1.00 0.00 0.00 55.97 55.14 3dmj s LYS 238 Cb 0.14 0.07 -0.05 0.00 -2.06 0.00 0.00 37.83 35.94 3dmj s LYS 238 CO 0.02 -0.08 -0.17 1.67 0.10 0.00 0.00 175.35 176.88 3dmj s TRP 239 N -2.23 1.97 0.29 1.78 1.48 -0.93 -0.40 118.94 120.91 3dmj s TRP 239 Ca 0.12 -0.46 0.01 0.00 -1.06 0.00 0.00 56.10 54.71 3dmj s TRP 239 Cb 0.02 -0.89 -0.02 0.00 -1.16 0.00 0.00 33.47 31.42 3dmj s TRP 239 CO -0.04 0.51 0.30 0.95 -4.06 0.00 0.00 176.95 174.61 3dmj s THR 240 N -2.71 0.00 -0.10 0.66 -4.23 0.25 -1.73 115.64 107.79 3dmj s THR 240 Ca 0.25 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3dmj s THR 240 Cb -0.03 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 3dmj s THR 240 CO 0.10 0.00 -0.04 0.54 -0.54 0.00 0.00 174.62 174.68 3dmj s VAL 241 N -3.60 3.90 0.21 2.29 0.11 -1.25 0.21 120.40 122.27 3dmj s VAL 241 Ca 0.37 -0.39 -0.32 0.00 -2.93 0.00 0.00 61.98 58.70 3dmj s VAL 241 Cb 0.03 -2.64 -0.13 0.00 -1.53 0.00 0.00 36.38 32.11 3dmj s VAL 241 CO 0.20 0.57 1.50 0.00 -3.33 0.00 0.00 175.10 174.04 3dmj n GLN 242 N 2.58 2.15 -1.46 1.54 6.02 0.82 -4.80 117.38 124.24 3dmj n GLN 242 Ca -0.18 0.77 -0.49 0.00 -0.01 0.00 0.00 57.00 57.09 3dmj n GLN 242 Cb 0.53 -2.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.27 3dmj n GLN 242 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3dmj n PRO 243 N 2.67 0.31 -3.69 -1.09 -0.02 -1.26 -4.93 135.00 126.98 3dmj n PRO 243 Ca 0.14 0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.37 3dmj n PRO 243 Cb 0.31 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.45 3dmj n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dmj s ILE 244 N -0.84 5.39 -0.22 4.25 1.01 -1.26 -5.09 121.20 124.45 3dmj s ILE 244 Ca 0.67 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 61.55 3dmj s ILE 244 Cb -0.92 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 3dmj s ILE 244 CO 0.56 0.45 0.04 0.68 0.00 0.00 0.00 174.94 176.68 3dmj s VAL 245 N 0.18 4.27 -0.60 2.92 -7.23 -1.26 -4.97 120.40 113.71 3dmj s VAL 245 Ca 0.11 -0.20 -0.08 0.00 -1.81 0.00 0.00 61.98 60.00 3dmj s VAL 245 Cb -0.12 -2.96 0.15 0.00 0.56 0.00 0.00 36.38 34.02 3dmj s VAL 245 CO 0.01 0.40 0.47 -0.76 -0.31 0.00 0.00 175.10 174.90 3dmj s LEU 246 N 1.11 5.80 -0.39 1.32 1.43 -1.26 -5.05 118.68 121.63 3dmj s LEU 246 Ca 0.03 -2.38 -0.40 0.00 -1.03 0.00 0.00 54.13 50.35 3dmj s LEU 246 Cb -0.14 -2.01 -0.16 0.00 0.03 0.00 0.00 46.19 43.92 3dmj s LEU 246 CO 0.03 -0.57 2.02 -0.81 0.23 0.00 0.00 176.35 177.25 3dmj n PRO 247 N 4.26 0.66 -2.59 1.29 -0.04 -1.26 -4.93 135.00 132.40 3dmj n PRO 247 Ca 0.02 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.27 3dmj n PRO 247 Cb 0.41 -1.99 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 3dmj n PRO 247 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dmj s GLU 248 N 5.25 4.62 0.19 0.54 2.56 -1.26 -5.03 118.70 125.58 3dmj s GLU 248 Ca 1.10 1.62 -0.13 0.00 0.00 0.00 0.00 54.97 57.57 3dmj s GLU 248 Cb -1.17 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 31.65 3dmj s GLU 248 CO 0.61 0.11 0.41 0.15 -0.56 0.00 0.00 175.26 175.98 3dmj s LYS 249 N -0.16 1.33 -0.12 4.30 1.02 -1.26 -5.03 119.74 119.81 3dmj s LYS 249 Ca 0.49 -1.09 0.15 0.00 0.02 0.00 0.00 55.97 55.54 3dmj s LYS 249 Cb -0.27 0.45 0.28 0.00 -0.52 0.00 0.00 37.83 37.76 3dmj s LYS 249 CO 0.33 -0.53 1.14 -0.25 -0.92 0.00 0.00 175.35 175.12 3dmj n ASP 250 N -0.30 1.88 -3.15 2.83 8.00 -1.26 -4.91 116.55 119.64 3dmj n ASP 250 Ca -0.07 -3.04 0.05 0.00 0.71 0.00 0.00 54.79 52.44 3dmj n ASP 250 Cb 0.63 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 3dmj n ASP 250 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3dmj s SER 251 N -2.65 -1.06 -0.16 -2.24 0.15 -1.26 -5.12 113.70 101.35 3dmj s SER 251 Ca 0.29 0.37 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 3dmj s SER 251 Cb 0.26 1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 66.32 3dmj s SER 251 CO 0.00 -0.20 -0.08 0.26 1.20 0.00 0.00 173.24 174.43 3dmj s TRP 252 N 2.89 2.92 0.53 3.44 0.52 -1.26 -5.05 118.94 122.94 3dmj s TRP 252 Ca 0.14 -0.58 0.02 0.00 0.02 0.00 0.00 56.10 55.70 3dmj s TRP 252 Cb -0.10 -1.94 0.03 0.00 -1.15 0.00 0.00 33.47 30.31 3dmj s TRP 252 CO -0.21 -0.22 0.75 0.95 0.02 0.00 0.00 176.95 178.24 3dmj s THR 253 N 0.61 2.70 0.15 2.01 -4.23 -1.26 -0.16 115.64 115.47 3dmj s THR 253 Ca -0.05 -0.72 -0.18 0.00 -1.18 0.00 0.00 61.69 59.56 3dmj s THR 253 Cb -0.15 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.77 3dmj s THR 253 CO 0.03 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.37 3dmj h VAL 254 N 0.15 0.68 -0.90 2.29 2.07 -0.03 -1.39 116.25 119.12 3dmj h VAL 254 Ca -0.41 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.21 3dmj h VAL 254 Cb 1.29 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 3dmj h VAL 254 CO 0.50 0.00 0.54 -1.13 0.02 0.00 0.00 177.57 177.50 3dmj h ASN 255 N 0.01 0.78 -0.46 0.57 -0.73 -1.32 -0.78 115.58 113.66 3dmj h ASN 255 Ca 0.16 0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 3dmj h ASN 255 Cb 0.24 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 3dmj h ASN 255 CO -0.33 0.44 0.14 0.44 -0.37 0.00 0.00 177.43 177.74 3dmj h ASP 256 N 0.88 0.67 -0.24 1.15 3.32 -1.57 -1.47 116.42 119.16 3dmj h ASP 256 Ca 0.44 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 3dmj h ASP 256 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3dmj h ASP 256 CO -0.25 0.70 0.08 0.40 -1.72 0.00 0.00 179.24 178.45 3dmj h ILE 257 N 0.60 1.19 -0.27 0.35 2.04 -0.40 -0.57 117.51 120.46 3dmj h ILE 257 Ca 0.15 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3dmj h ILE 257 Cb 0.28 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3dmj h ILE 257 CO -0.00 0.20 0.12 1.56 0.00 0.00 0.00 178.15 180.02 3dmj h GLN 258 N 0.22 0.39 -0.39 2.37 4.20 -1.15 0.12 115.11 120.87 3dmj h GLN 258 Ca 0.08 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.80 3dmj h GLN 258 Cb 0.23 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 27.85 3dmj h GLN 258 CO -0.00 0.40 -0.37 -0.22 -0.67 0.00 0.00 178.83 177.96 3dmj h LYS 259 N 0.29 -0.29 -0.27 1.46 1.63 -1.13 0.20 116.57 118.46 3dmj h LYS 259 Ca 0.09 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 3dmj h LYS 259 Cb 0.14 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.78 3dmj h LYS 259 CO -0.01 -0.19 -0.09 1.25 -3.45 0.00 0.00 179.45 176.96 3dmj h LEU 260 N -0.30 -0.32 -0.68 5.20 5.85 -0.70 -1.37 115.31 122.99 3dmj h LEU 260 Ca 0.15 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.04 3dmj h LEU 260 Cb 0.56 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 3dmj h LEU 260 CO -0.55 -0.12 0.37 0.58 -0.34 0.00 0.00 178.44 178.38 3dmj h VAL 261 N -0.04 0.93 -0.19 1.05 2.07 0.43 -0.10 116.25 120.40 3dmj h VAL 261 Ca 0.14 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.49 3dmj h VAL 261 Cb 0.24 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 3dmj h VAL 261 CO -0.30 0.12 -0.23 1.23 0.02 0.00 0.00 177.57 178.41 3dmj h GLY 262 N 0.66 -0.17 1.08 2.17 0.00 0.45 0.21 103.07 107.47 3dmj h GLY 262 Ca 0.32 0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.85 3dmj h GLY 262 CO -0.21 -0.19 0.10 0.50 0.00 0.00 0.00 176.54 176.74 3dmj h LYS 263 N -0.26 1.11 -0.81 4.80 1.57 -0.91 -2.61 116.57 119.46 3dmj h LYS 263 Ca 0.12 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3dmj h LYS 263 Cb 0.44 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3dmj h LYS 263 CO -0.34 1.02 0.42 -0.07 -0.57 0.00 0.00 179.45 179.91 3dmj h LEU 264 N 1.04 1.03 -0.82 2.94 3.38 -0.42 -1.54 115.31 120.93 3dmj h LEU 264 Ca 0.20 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3dmj h LEU 264 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3dmj h LEU 264 CO 0.01 0.85 0.00 -1.13 0.09 0.00 0.00 178.44 178.27 3dmj h ASN 265 N 1.15 0.86 -0.10 -0.43 -0.73 -0.39 -2.46 115.58 113.47 3dmj h ASN 265 Ca 0.28 -0.22 -0.11 0.00 1.87 0.00 0.00 56.30 58.12 3dmj h ASN 265 Cb 0.07 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 3dmj h ASN 265 CO -0.04 0.92 -0.30 -0.25 -0.37 0.00 0.00 177.43 177.40 3dmj h TRP 266 N 0.83 0.66 0.00 0.67 7.01 -1.05 -2.98 115.95 121.09 3dmj h TRP 266 Ca 0.16 -0.16 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 3dmj h TRP 266 Cb 0.49 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.39 3dmj h TRP 266 CO 0.03 0.81 -0.01 0.00 -2.79 0.00 0.00 178.44 176.48 3dmj h ALA 267 N 1.18 1.00 0.00 2.65 0.00 -1.07 -3.05 119.26 119.97 3dmj h ALA 267 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dmj h ALA 267 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3dmj h ALA 267 CO 0.06 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.98 3dmj h SER 268 N 0.00 0.00 0.19 0.00 4.64 -1.28 0.37 113.55 117.47 3dmj h SER 268 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3dmj h SER 268 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3dmj h SER 268 CO 0.00 0.00 -0.09 1.56 -0.87 0.00 0.00 176.83 177.43 3dmj h GLN 269 N 0.00 -0.25 0.07 4.77 1.08 -1.67 -3.36 115.11 115.74 3dmj h GLN 269 Ca 0.00 0.02 -0.21 0.00 -1.45 0.00 0.00 58.65 57.00 3dmj h GLN 269 Cb 0.33 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 3dmj h GLN 269 CO 0.00 0.05 -1.11 0.82 -0.95 0.00 0.00 178.83 177.65 3dmj h ILE 270 N -0.56 1.15 -3.26 2.54 2.04 -1.67 -3.14 117.51 114.60 3dmj h ILE 270 Ca -0.03 -2.34 -0.58 0.00 1.00 0.00 0.00 64.86 62.92 3dmj h ILE 270 Cb 0.42 2.73 -0.06 0.00 -0.74 0.00 0.00 36.82 39.17 3dmj h ILE 270 CO 0.04 0.59 -0.07 -0.31 0.00 0.00 0.00 178.15 178.40 3dmj s TYR 271 N -2.40 3.66 -0.14 1.37 2.02 0.13 -4.97 117.35 117.01 3dmj s TYR 271 Ca -0.22 1.10 -0.20 0.00 -0.37 0.00 0.00 57.07 57.39 3dmj s TYR 271 Cb 0.03 -2.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3dmj s TYR 271 CO 0.71 0.36 0.56 -1.25 -1.57 0.00 0.00 175.55 174.36 3dmj s PRO 272 N -0.18 4.30 0.00 -1.71 0.04 -1.26 -4.29 135.00 131.90 3dmj s PRO 272 Ca 0.29 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.88 3dmj s PRO 272 Cb -0.17 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3dmj s PRO 272 CO 0.15 -0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.60 3dmj n GLY 273 N 3.47 0.68 3.74 0.56 0.00 -1.26 -5.05 105.19 107.33 3dmj n GLY 273 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3dmj n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dmj s ILE 274 N -2.00 3.10 0.03 -0.61 -1.09 -1.26 -4.96 121.20 114.40 3dmj s ILE 274 Ca 0.00 0.94 0.02 0.00 -2.23 0.00 0.00 60.65 59.38 3dmj s ILE 274 Cb 0.00 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 3dmj s ILE 274 CO 0.00 0.16 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.24 3dmj s LYS 275 N -0.43 0.56 -0.00 2.79 3.01 -1.26 -4.97 119.74 119.45 3dmj s LYS 275 Ca 0.55 -0.59 0.01 0.00 -1.01 0.00 0.00 55.97 54.93 3dmj s LYS 275 Cb -0.37 -0.44 0.01 0.00 -1.01 0.00 0.00 37.83 36.02 3dmj s LYS 275 CO 0.41 0.10 1.00 1.33 0.51 0.00 0.00 175.35 178.70 3dmj n VAL 276 N 1.97 0.02 0.32 3.17 0.24 -1.26 -4.87 118.33 117.92 3dmj n VAL 276 Ca -0.19 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.34 61.90 3dmj n VAL 276 Cb 0.56 0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 33.34 3dmj n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3dmj h ARG 277 N 0.02 -0.78 -0.10 7.34 2.43 -2.01 -3.14 114.38 118.14 3dmj h ARG 277 Ca -0.00 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3dmj h ARG 277 Cb 1.41 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 3dmj h ARG 277 CO 0.00 -0.48 -0.11 1.96 -1.51 0.00 0.00 179.97 179.83 3dmj h GLN 278 N -0.93 0.16 -1.04 0.20 1.08 -1.92 0.15 115.11 112.81 3dmj h GLN 278 Ca -0.08 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3dmj h GLN 278 Cb 0.66 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3dmj h GLN 278 CO 0.14 0.28 0.00 1.28 -0.95 0.00 0.00 178.83 179.57 3dmj n LEU 279 N -4.33 1.45 0.00 1.46 4.77 -1.19 -3.35 117.00 115.82 3dmj n LEU 279 Ca -0.01 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 3dmj n LEU 279 Cb 0.23 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3dmj n LEU 279 CO 0.37 0.27 0.00 0.29 -1.33 0.00 0.00 177.39 176.99 3dmj n LYS 281 N 0.44 0.00 0.17 3.23 5.02 0.51 -3.98 118.16 123.55 3dmj n LYS 281 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 3dmj n LYS 281 Cb 0.27 -0.20 0.62 0.00 -0.02 0.00 0.00 35.03 35.70 3dmj n LYS 281 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3dmj h LEU 282 N 0.00 0.00 0.00 -0.35 3.38 -1.83 -2.44 115.31 114.07 3dmj h LEU 282 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dmj h LEU 282 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dmj h LEU 282 CO 0.00 0.00 -0.31 0.18 0.09 0.00 0.00 178.44 178.40 3dmj n LEU 283 N -2.30 0.34 -4.71 1.67 4.77 -1.26 -4.84 117.00 110.69 3dmj n LEU 283 Ca -0.01 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 3dmj n LEU 283 Cb 0.04 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 3dmj n LEU 283 CO 0.10 0.05 1.17 0.54 -1.33 0.00 0.00 177.39 177.93 3dmj n ARG 284 N -1.58 2.41 -1.03 3.23 1.74 -0.92 -2.65 116.66 117.85 3dmj n ARG 284 Ca 0.06 0.86 -0.04 0.00 -0.77 0.00 0.00 57.85 57.96 3dmj n ARG 284 Cb 0.35 -2.61 -0.02 0.00 -1.02 0.00 0.00 32.46 29.17 3dmj n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dmj n GLY 285 N 2.55 0.35 3.69 -0.13 0.00 -1.26 -4.93 105.19 105.46 3dmj n GLY 285 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3dmj n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dmj n THR 286 N -1.90 1.55 -0.01 2.61 -2.24 -1.08 -4.94 114.28 108.27 3dmj n THR 286 Ca -0.04 -0.39 0.10 0.00 -2.27 0.00 0.00 64.05 61.46 3dmj n THR 286 Cb 0.49 -1.56 -0.16 0.00 -2.10 0.00 0.00 70.33 66.99 3dmj n THR 286 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3dmj n LYS 287 N 1.20 0.66 -3.56 -0.78 2.85 -1.26 -5.03 118.16 112.25 3dmj n LYS 287 Ca 0.07 -0.18 -0.11 0.00 -1.05 0.00 0.00 58.31 57.04 3dmj n LYS 287 Cb 0.34 -1.53 -0.03 0.00 -0.65 0.00 0.00 35.03 33.16 3dmj n LYS 287 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dmj s ALA 288 N -3.49 -1.20 0.21 0.58 0.00 -1.26 -5.02 121.76 111.59 3dmj s ALA 288 Ca -0.08 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.07 3dmj s ALA 288 Cb 0.14 0.78 0.17 0.00 0.00 0.00 0.00 23.12 24.21 3dmj s ALA 288 CO 0.90 -0.71 1.50 -0.07 0.00 0.00 0.00 175.76 177.39 3dmj h LEU 289 N 2.21 0.27 0.00 0.00 3.38 -1.96 -2.93 115.31 116.27 3dmj h LEU 289 Ca -0.34 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3dmj h LEU 289 Cb 1.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3dmj h LEU 289 CO 0.43 0.87 -0.07 0.35 0.09 0.00 0.00 178.44 180.11 3dmj n THR 290 N -3.81 0.32 -1.65 0.22 -2.24 -1.26 -0.92 114.28 104.95 3dmj n THR 290 Ca -0.03 -0.16 -0.48 0.00 -2.27 0.00 0.00 64.05 61.11 3dmj n THR 290 Cb 0.68 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 3dmj n THR 290 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3dmj n GLU 291 N -1.93 1.85 -2.99 -0.78 2.13 -1.11 -4.65 120.64 113.18 3dmj n GLU 291 Ca 0.06 0.67 -0.41 0.00 0.66 0.00 0.00 57.16 58.14 3dmj n GLU 291 Cb 0.39 -2.39 -0.05 0.00 0.27 0.00 0.00 31.44 29.67 3dmj n GLU 291 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dmj s VAL 292 N 0.69 4.96 -0.17 6.31 1.01 -1.26 -0.63 120.40 131.30 3dmj s VAL 292 Ca 0.79 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 64.23 3dmj s VAL 292 Cb -0.75 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 31.55 3dmj s VAL 292 CO 0.41 0.11 -0.09 -0.63 0.00 0.00 0.00 175.10 174.91 3dmj s ILE 293 N 1.71 3.19 0.16 2.22 -1.09 0.78 -4.96 121.20 123.22 3dmj s ILE 293 Ca 0.36 -0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 57.90 3dmj s ILE 293 Cb -0.17 -2.40 -0.07 0.00 -1.58 0.00 0.00 42.46 38.24 3dmj s ILE 293 CO 0.14 0.48 1.06 -2.16 -1.23 0.00 0.00 174.94 173.22 3dmj s PRO 294 N 0.91 4.63 0.09 2.79 0.04 -1.26 -4.34 135.00 137.86 3dmj s PRO 294 Ca -0.02 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 3dmj s PRO 294 Cb -0.15 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 3dmj s PRO 294 CO 0.00 0.13 1.03 -0.51 0.04 0.00 0.00 177.00 177.70 3dmj s LEU 295 N -0.32 4.44 1.19 -3.56 1.43 -1.26 -5.04 118.68 115.56 3dmj s LEU 295 Ca 0.48 1.86 -0.19 0.00 -1.03 0.00 0.00 54.13 55.25 3dmj s LEU 295 Cb -0.28 -3.59 0.28 0.00 0.03 0.00 0.00 46.19 42.64 3dmj s LEU 295 CO 0.33 -0.22 1.11 0.42 0.23 0.00 0.00 176.35 178.23 3dmj s THR 296 N 0.40 1.63 -0.02 5.49 -4.23 -1.26 -4.78 115.64 112.86 3dmj s THR 296 Ca 0.51 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.78 3dmj s THR 296 Cb -0.25 -2.49 -0.20 0.00 1.34 0.00 0.00 72.50 70.90 3dmj s THR 296 CO 0.30 0.00 1.21 -0.08 -0.54 0.00 0.00 174.62 175.51 3dmj h GLU 297 N -2.54 0.15 -0.97 3.99 4.81 -1.99 -1.61 114.58 116.43 3dmj h GLU 297 Ca -0.45 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 58.74 3dmj h GLU 297 Cb 1.30 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 3dmj h GLU 297 CO 0.36 0.70 0.63 0.93 -0.73 0.00 0.00 179.01 180.89 3dmj h GLU 298 N -0.37 1.07 -0.53 1.92 3.07 -1.97 -0.90 114.58 116.87 3dmj h GLU 298 Ca -0.00 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 3dmj h GLU 298 Cb 0.70 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 3dmj h GLU 298 CO 0.02 0.71 0.06 0.00 -1.40 0.00 0.00 179.01 178.40 3dmj h ALA 299 N 1.49 1.12 -0.34 3.43 0.00 -1.80 0.33 119.26 123.48 3dmj h ALA 299 Ca 0.43 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3dmj h ALA 299 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dmj h ALA 299 CO -0.18 0.57 -0.38 1.49 0.00 0.00 0.00 179.25 180.76 3dmj h GLU 300 N 0.80 0.80 -0.14 0.00 4.57 -0.25 -1.72 114.58 118.64 3dmj h GLU 300 Ca 0.16 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 3dmj h GLU 300 Cb 0.39 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3dmj h GLU 300 CO 0.01 1.04 0.01 1.25 -1.18 0.00 0.00 179.01 180.14 3dmj h LEU 301 N 0.66 0.23 0.19 1.64 5.85 -0.91 0.57 115.31 123.55 3dmj h LEU 301 Ca 0.06 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3dmj h LEU 301 Cb 0.94 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3dmj h LEU 301 CO 0.09 0.46 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.41 3dmj h GLU 302 N -0.01 -0.32 -1.15 1.25 4.81 -0.89 0.25 114.58 118.50 3dmj h GLU 302 Ca 0.04 0.02 0.33 0.00 -0.13 0.00 0.00 59.36 59.63 3dmj h GLU 302 Cb 0.34 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.69 3dmj h GLU 302 CO 0.01 -0.22 0.75 1.25 -0.73 0.00 0.00 179.01 180.07 3dmj h LEU 303 N -0.34 0.34 0.63 1.64 5.85 -1.36 -0.52 115.31 121.56 3dmj h LEU 303 Ca -0.03 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3dmj h LEU 303 Cb 0.28 0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.37 3dmj h LEU 303 CO 0.00 -0.02 -0.30 0.00 -0.34 0.00 0.00 178.44 177.78 3dmj h ALA 304 N 1.60 -0.85 -0.10 1.25 0.00 0.01 -3.02 119.26 118.15 3dmj h ALA 304 Ca 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 3dmj h ALA 304 Cb 1.95 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 20.07 3dmj h ALA 304 CO -0.32 -0.84 0.02 1.49 0.00 0.00 0.00 179.25 179.60 3dmj h GLU 305 N -1.12 0.14 -0.65 0.00 4.81 0.89 -2.37 114.58 116.27 3dmj h GLU 305 Ca -0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3dmj h GLU 305 Cb 0.69 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3dmj h GLU 305 CO 0.14 0.14 0.33 -0.91 -0.73 0.00 0.00 179.01 177.99 3dmj h ASN 306 N 0.14 0.83 -1.00 1.04 2.35 -1.17 -2.38 115.58 115.39 3dmj h ASN 306 Ca 0.04 -0.11 0.12 0.00 -0.55 0.00 0.00 56.30 55.79 3dmj h ASN 306 Cb 0.07 -0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.15 3dmj h ASN 306 CO -0.00 0.71 0.63 0.03 -1.65 0.00 0.00 177.43 177.14 3dmj h ARG 307 N 0.89 0.97 -0.43 0.81 3.08 -1.29 -0.24 114.38 118.16 3dmj h ARG 307 Ca 0.22 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 3dmj h ARG 307 Cb 0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3dmj h ARG 307 CO -0.03 0.64 -0.14 0.93 -1.07 0.00 0.00 179.97 180.30 3dmj h GLU 308 N 1.00 0.81 -0.51 0.04 4.39 -1.46 -2.84 114.58 116.00 3dmj h GLU 308 Ca 0.49 -0.29 -0.13 0.00 0.34 0.00 0.00 59.36 59.78 3dmj h GLU 308 Cb 0.47 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3dmj h GLU 308 CO -0.26 0.90 -0.18 0.82 -1.16 0.00 0.00 179.01 179.13 3dmj h ILE 309 N 0.72 1.27 0.00 3.13 2.04 -0.65 -2.76 117.51 121.26 3dmj h ILE 309 Ca 0.11 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3dmj h ILE 309 Cb 0.64 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3dmj h ILE 309 CO 0.04 0.47 0.00 0.18 0.00 0.00 0.00 178.15 178.84 3dmj n LEU 310 N -4.12 0.50 -0.59 1.44 4.77 -0.25 -2.33 117.00 116.41 3dmj n LEU 310 Ca 0.01 0.61 0.03 0.00 -0.03 0.00 0.00 56.01 56.63 3dmj n LEU 310 Cb 0.44 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 41.11 3dmj n LEU 310 CO 0.46 -0.43 0.53 0.29 -1.33 0.00 0.00 177.39 176.92 3dmj n LYS 311 N -2.04 1.76 -3.67 3.23 5.02 -1.04 -4.71 118.16 116.70 3dmj n LYS 311 Ca 0.03 -0.86 -0.35 0.00 -2.02 0.00 0.00 58.31 55.11 3dmj n LYS 311 Cb 0.24 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3dmj n LYS 311 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3dmj s GLU 312 N -1.64 3.67 -1.32 1.97 2.02 -0.99 -5.02 118.70 117.39 3dmj s GLU 312 Ca 0.16 0.06 -0.16 0.00 0.02 0.00 0.00 54.97 55.04 3dmj s GLU 312 Cb 0.10 -3.07 0.08 0.00 0.10 0.00 0.00 34.13 31.34 3dmj s GLU 312 CO 0.08 0.63 1.82 -0.35 0.02 0.00 0.00 175.26 177.46 3dmj n PRO 313 N 1.14 3.17 -2.89 0.39 -0.04 -1.26 -4.96 135.00 130.55 3dmj n PRO 313 Ca -0.11 -3.22 -0.42 0.00 -0.04 0.00 0.00 63.50 59.71 3dmj n PRO 313 Cb 0.53 -3.35 -0.04 0.00 -0.04 0.00 0.00 33.50 30.59 3dmj n PRO 313 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dmj s VAL 314 N 3.40 4.69 0.17 0.52 1.01 -1.26 -5.02 120.40 123.90 3dmj s VAL 314 Ca 0.50 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.61 3dmj s VAL 314 Cb 0.06 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 3dmj s VAL 314 CO 0.03 -0.43 -0.07 -1.38 0.00 0.00 0.00 175.10 173.25 3dmj s HIS 315 N 3.22 1.34 0.18 5.22 -3.43 -1.26 -3.85 115.29 116.70 3dmj s HIS 315 Ca 0.34 -0.82 0.02 0.00 -0.80 0.00 0.00 55.06 53.81 3dmj s HIS 315 Cb -0.13 -0.71 -0.01 0.00 -1.43 0.00 0.00 32.58 30.30 3dmj s HIS 315 CO 0.16 0.03 0.07 0.41 -2.00 0.00 0.00 174.74 173.42 3dmj n GLY 316 N -0.26 3.69 3.56 -1.38 0.00 -0.71 -4.69 105.19 105.40 3dmj n GLY 316 Ca -0.09 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 3dmj n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dmj s VAL 317 N -2.28 0.68 0.54 1.61 -7.23 0.15 -2.19 120.40 111.69 3dmj s VAL 317 Ca 0.10 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 3dmj s VAL 317 Cb 0.01 -2.31 0.04 0.00 0.56 0.00 0.00 36.38 34.67 3dmj s VAL 317 CO 0.07 0.00 0.75 -0.31 -0.31 0.00 0.00 175.10 175.31 3dmj s TYR 318 N -3.15 2.67 0.05 2.82 2.02 -1.26 -4.51 117.35 115.99 3dmj s TYR 318 Ca 0.21 -0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.46 3dmj s TYR 318 Cb 0.02 -2.67 -0.05 0.00 -0.40 0.00 0.00 41.96 38.86 3dmj s TYR 318 CO 0.13 -0.87 1.12 -0.47 -1.57 0.00 0.00 175.55 173.89 3dmj s TYR 319 N -2.71 3.52 -0.53 2.71 6.04 0.99 -4.71 117.35 122.67 3dmj s TYR 319 Ca 0.58 1.45 0.01 0.00 0.04 0.00 0.00 57.07 59.15 3dmj s TYR 319 Cb -0.10 -3.31 0.14 0.00 -1.04 0.00 0.00 41.96 37.65 3dmj s TYR 319 CO 0.38 -0.81 0.30 0.34 -1.54 0.00 0.00 175.55 174.22 3dmj s ASP 320 N 0.99 4.81 0.00 4.32 3.68 -1.26 -1.58 116.67 127.63 3dmj s ASP 320 Ca 0.56 -2.77 0.00 0.00 2.13 0.00 0.00 52.55 52.47 3dmj s ASP 320 Cb -0.27 -1.74 0.00 0.00 -1.45 0.00 0.00 42.92 39.47 3dmj s ASP 320 CO 0.29 -0.33 0.54 -0.81 0.13 0.00 0.00 175.17 174.99 3dmj n PRO 321 N 3.52 0.00 0.00 4.34 -0.04 -1.26 -1.63 135.00 139.93 3dmj n PRO 321 Ca 0.05 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 3dmj n PRO 321 Cb 0.36 -1.54 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3dmj n PRO 321 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dmj n SER 322 N -1.04 1.91 -4.69 3.54 3.41 -1.26 -4.99 113.62 110.50 3dmj n SER 322 Ca 0.00 -1.45 -0.23 0.00 -0.26 0.00 0.00 58.87 56.92 3dmj n SER 322 Cb 0.04 0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3dmj n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dmj s LYS 323 N -1.83 2.29 0.96 4.33 1.02 -0.64 -5.11 119.74 120.77 3dmj s LYS 323 Ca 0.16 -1.56 -0.12 0.00 0.02 0.00 0.00 55.97 54.47 3dmj s LYS 323 Cb 0.14 -2.12 0.11 0.00 -0.52 0.00 0.00 37.83 35.44 3dmj s LYS 323 CO 0.37 0.18 0.77 -0.25 -0.92 0.00 0.00 175.35 175.50 3dmj n ASP 324 N -1.05 -0.97 -3.96 2.83 8.00 -1.26 -4.97 116.55 115.17 3dmj n ASP 324 Ca -0.04 0.30 -0.31 0.00 0.71 0.00 0.00 54.79 55.46 3dmj n ASP 324 Cb 0.61 -1.32 -0.15 0.00 -0.02 0.00 0.00 41.12 40.24 3dmj n ASP 324 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dmj s LEU 325 N -4.12 3.22 -0.01 0.64 2.96 -1.26 -4.40 118.68 115.70 3dmj s LEU 325 Ca 0.62 -1.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.07 3dmj s LEU 325 Cb -0.22 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3dmj s LEU 325 CO 0.63 -0.28 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.66 3dmj s ILE 326 N 1.25 3.50 -0.09 6.68 1.01 -0.20 -0.76 121.20 132.59 3dmj s ILE 326 Ca -0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 3dmj s ILE 326 Cb -0.19 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.82 3dmj s ILE 326 CO -0.08 0.45 -0.01 0.00 0.00 0.00 0.00 174.94 175.29 3dmj s ALA 327 N -0.93 0.84 0.05 9.38 0.00 -0.30 -1.05 121.76 129.76 3dmj s ALA 327 Ca 0.15 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.92 3dmj s ALA 327 Cb -0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3dmj s ALA 327 CO 0.05 -0.50 -0.08 -2.00 0.00 0.00 0.00 175.76 173.24 3dmj s GLU 328 N 1.92 2.37 0.10 0.00 2.12 -0.90 -1.20 118.70 123.11 3dmj s GLU 328 Ca 0.05 -0.86 0.07 0.00 0.36 0.00 0.00 54.97 54.59 3dmj s GLU 328 Cb -0.13 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.81 3dmj s GLU 328 CO -0.06 0.56 -0.19 0.42 -0.54 0.00 0.00 175.26 175.45 3dmj s ILE 329 N -1.11 1.57 0.10 -3.70 1.01 -0.89 -2.68 121.20 115.50 3dmj s ILE 329 Ca 0.20 -1.51 0.04 0.00 0.00 0.00 0.00 60.65 59.37 3dmj s ILE 329 Cb -0.11 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3dmj s ILE 329 CO 0.11 -0.12 -0.10 -1.10 0.00 0.00 0.00 174.94 173.73 3dmj s GLN 330 N -1.94 0.85 -0.46 2.79 1.11 -0.69 -4.18 119.66 117.14 3dmj s GLN 330 Ca 0.05 -1.17 -0.11 0.00 0.01 0.00 0.00 55.36 54.13 3dmj s GLN 330 Cb -0.10 -0.52 0.10 0.00 -1.01 0.00 0.00 33.01 31.48 3dmj s GLN 330 CO 0.04 0.08 0.35 0.21 0.01 0.00 0.00 175.29 175.97 3dmj s LYS 331 N -2.86 2.68 0.03 2.91 2.20 -1.26 -2.24 119.74 121.19 3dmj s LYS 331 Ca 0.06 -1.58 -0.26 0.00 -0.36 0.00 0.00 55.97 53.83 3dmj s LYS 331 Cb -0.02 -3.97 -0.17 0.00 -1.51 0.00 0.00 37.83 32.16 3dmj s LYS 331 CO -0.00 -1.11 1.38 0.37 -0.36 0.00 0.00 175.35 175.64 3dmj h GLN 332 N 8.55 -0.31 0.00 4.03 4.15 -1.72 -3.42 115.11 126.39 3dmj h GLN 332 Ca -0.24 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.13 3dmj h GLN 332 Cb 1.09 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 3dmj h GLN 332 CO 0.86 -0.03 -0.02 0.41 -1.93 0.00 0.00 178.83 178.12 3dmj n GLY 333 N -0.52 2.59 3.69 2.39 0.00 -1.17 -5.01 105.19 107.16 3dmj n GLY 333 Ca -0.09 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 3dmj n GLY 333 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dmj s GLN 334 N -2.19 4.20 0.00 1.61 0.74 -1.26 -2.06 119.66 120.70 3dmj s GLN 334 Ca 0.08 2.33 0.00 0.00 0.05 0.00 0.00 55.36 57.82 3dmj s GLN 334 Cb -0.01 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.55 3dmj s GLN 334 CO 0.06 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 174.48 3dmj n GLY 335 N 3.97 2.62 3.65 2.59 0.00 -1.26 -4.87 105.19 111.89 3dmj n GLY 335 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3dmj n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dmj s GLN 336 N 0.00 3.77 0.00 1.61 -0.21 -0.87 -3.25 119.66 120.70 3dmj s GLN 336 Ca 0.00 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.06 3dmj s GLN 336 Cb 0.00 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.87 3dmj s GLN 336 CO 0.00 0.38 -0.08 -1.58 -2.12 0.00 0.00 175.29 171.89 3dmj s TRP 337 N 0.06 0.70 0.16 0.91 0.52 -1.18 -1.86 118.94 118.25 3dmj s TRP 337 Ca 0.05 -0.17 0.11 0.00 0.02 0.00 0.00 56.10 56.10 3dmj s TRP 337 Cb -0.12 -0.44 -0.04 0.00 -1.15 0.00 0.00 33.47 31.71 3dmj s TRP 337 CO 0.01 -0.01 -0.24 0.95 0.02 0.00 0.00 176.95 177.68 3dmj s THR 338 N -0.33 2.20 0.11 2.01 -4.23 -0.95 0.21 115.64 114.66 3dmj s THR 338 Ca 0.02 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 58.47 3dmj s THR 338 Cb -0.04 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.83 3dmj s THR 338 CO -0.00 -0.08 0.38 -0.72 -0.54 0.00 0.00 174.62 173.66 3dmj s TYR 339 N -1.50 -0.17 -0.08 3.99 -0.85 -0.82 -1.71 117.35 116.21 3dmj s TYR 339 Ca 0.17 -0.13 -0.06 0.00 -0.52 0.00 0.00 57.07 56.53 3dmj s TYR 339 Cb -0.08 0.21 0.03 0.00 0.38 0.00 0.00 41.96 42.50 3dmj s TYR 339 CO 0.08 -0.67 0.21 1.14 -1.52 0.00 0.00 175.55 174.79 3dmj s GLN 340 N -3.65 0.22 -0.21 -3.49 0.00 -1.09 -0.37 119.66 111.06 3dmj s GLN 340 Ca 0.02 0.35 -0.02 0.00 -0.00 0.00 0.00 55.36 55.72 3dmj s GLN 340 Cb 0.02 0.03 0.01 0.00 0.00 0.00 0.00 33.01 33.06 3dmj s GLN 340 CO -0.11 -0.07 -0.10 0.42 0.00 0.00 0.00 175.29 175.43 3dmj s ILE 341 N 0.49 2.85 0.22 3.63 1.01 0.43 -2.11 121.20 127.73 3dmj s ILE 341 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3dmj s ILE 341 Cb -0.05 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3dmj s ILE 341 CO -0.02 0.43 0.15 -0.72 0.00 0.00 0.00 174.94 174.78 3dmj s TYR 342 N 1.39 1.25 -0.07 3.97 -0.85 -0.22 0.14 117.35 122.97 3dmj s TYR 342 Ca 0.05 -1.42 -0.02 0.00 -0.52 0.00 0.00 57.07 55.16 3dmj s TYR 342 Cb -0.14 -0.59 -0.04 0.00 0.38 0.00 0.00 41.96 41.57 3dmj s TYR 342 CO -0.07 -0.66 -0.08 1.04 -1.52 0.00 0.00 175.55 174.25 3dmj n GLN 343 N -0.32 0.16 -4.25 -3.49 6.02 -1.25 -1.04 117.38 113.21 3dmj n GLN 343 Ca 0.03 0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.74 3dmj n GLN 343 Cb 0.65 -0.87 -0.08 0.00 1.02 0.00 0.00 30.24 30.96 3dmj n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dmj s GLU 344 N -2.14 2.99 0.14 -1.09 2.02 -1.26 -4.74 118.70 114.62 3dmj s GLU 344 Ca -0.10 -0.45 -0.35 0.00 0.02 0.00 0.00 54.97 54.09 3dmj s GLU 344 Cb 0.03 -2.81 -0.15 0.00 0.10 0.00 0.00 34.13 31.30 3dmj s GLU 344 CO 0.14 0.68 1.41 -2.30 0.02 0.00 0.00 175.26 175.21 3dmj n PRO 345 N 1.72 1.62 0.00 0.39 -0.02 -1.26 -1.85 135.00 135.60 3dmj n PRO 345 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3dmj n PRO 345 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3dmj n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dmj n PHE 346 N 2.66 0.00 -3.11 6.00 0.99 -1.26 -4.93 117.46 117.81 3dmj n PHE 346 Ca 0.17 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.17 3dmj n PHE 346 Cb 0.25 -0.02 -0.01 0.00 -1.00 0.00 0.00 39.48 38.69 3dmj n PHE 346 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3dmj s LYS 347 N 0.00 3.84 0.28 -1.08 1.02 -0.77 -5.02 119.74 118.01 3dmj s LYS 347 Ca 0.00 -2.42 -0.29 0.00 0.02 0.00 0.00 55.97 53.28 3dmj s LYS 347 Cb 0.00 -4.76 -0.09 0.00 -0.52 0.00 0.00 37.83 32.45 3dmj s LYS 347 CO 0.00 -1.55 1.06 -0.80 -0.92 0.00 0.00 175.35 173.14 3dmj s ASN 348 N 2.62 7.32 -0.08 2.83 0.01 -1.26 -3.84 114.94 122.54 3dmj s ASN 348 Ca 0.31 2.17 -0.15 0.00 -0.71 0.00 0.00 52.86 54.48 3dmj s ASN 348 Cb -0.07 -2.62 -0.29 0.00 0.41 0.00 0.00 41.25 38.69 3dmj s ASN 348 CO -0.07 -0.10 0.62 -0.07 -1.51 0.00 0.00 177.10 175.97 3dmj h LEU 349 N 3.78 0.46 -7.00 0.60 3.38 -0.53 0.46 115.31 116.46 3dmj h LEU 349 Ca -0.46 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.62 3dmj h LEU 349 Cb 1.21 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 3dmj h LEU 349 CO 0.67 1.66 0.29 -1.59 0.09 0.00 0.00 178.44 179.55 3dmj s LYS 350 N -2.51 1.06 0.29 1.13 -2.85 -1.07 -4.20 119.74 111.61 3dmj s LYS 350 Ca -0.18 -0.15 0.03 0.00 -1.00 0.00 0.00 55.97 54.66 3dmj s LYS 350 Cb 0.04 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.25 3dmj s LYS 350 CO 0.80 -0.42 0.06 0.95 0.10 0.00 0.00 175.35 176.84 3dmj s THR 351 N -2.59 0.99 0.13 3.79 -4.23 -1.26 -0.43 115.64 112.05 3dmj s THR 351 Ca -0.02 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 3dmj s THR 351 Cb -0.01 -2.70 0.04 0.00 1.34 0.00 0.00 72.50 71.18 3dmj s THR 351 CO -0.04 -0.04 0.55 0.61 -0.54 0.00 0.00 174.62 175.17 3dmj n GLY 352 N -0.59 1.03 3.47 3.99 0.00 0.50 -4.66 105.19 108.93 3dmj n GLY 352 Ca -0.02 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 3dmj n GLY 352 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dmj s LYS 353 N -2.03 0.82 -0.26 1.61 2.20 -1.26 -1.94 119.74 118.88 3dmj s LYS 353 Ca 0.12 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 3dmj s LYS 353 Cb -0.02 0.39 0.05 0.00 -1.51 0.00 0.00 37.83 36.74 3dmj s LYS 353 CO 0.04 -0.19 -0.09 0.71 -0.36 0.00 0.00 175.35 175.47 3dmj s TYR 354 N -0.49 3.18 0.29 4.03 2.02 0.13 -4.97 117.35 121.55 3dmj s TYR 354 Ca -0.06 -2.03 -0.28 0.00 -0.37 0.00 0.00 57.07 54.33 3dmj s TYR 354 Cb -0.03 -1.99 -0.14 0.00 -0.40 0.00 0.00 41.96 39.40 3dmj s TYR 354 CO 0.05 -0.83 0.96 0.00 -1.57 0.00 0.00 175.55 174.16 3dmj n ALA 355 N 4.53 -0.46 -1.49 3.71 0.00 -1.26 -3.08 120.51 122.46 3dmj n ALA 355 Ca -0.15 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 3dmj n ALA 355 Cb 0.44 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 3dmj n ALA 355 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dmj n ARG 356 N 0.73 0.45 -2.28 0.00 3.00 -1.20 -4.83 116.66 112.52 3dmj n ARG 356 Ca 0.10 0.03 -0.42 0.00 -0.00 0.00 0.00 57.85 57.57 3dmj n ARG 356 Cb 0.32 -2.22 -0.03 0.00 0.00 0.00 0.00 32.46 30.53 3dmj n ARG 356 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3dmj s MET 357 N 8.29 4.40 -0.97 -0.14 -1.94 -1.23 -4.94 119.30 122.77 3dmj s MET 357 Ca 1.20 1.97 -0.00 0.00 -1.71 0.00 0.00 55.69 57.15 3dmj s MET 357 Cb -0.89 -3.25 0.32 0.00 2.01 0.00 0.00 34.83 33.03 3dmj s MET 357 CO 0.43 -0.26 1.70 0.54 -0.01 0.00 0.00 175.02 177.42 3dmj n ARG 358 N 3.17 5.13 -2.28 2.03 5.12 -1.26 -4.90 116.66 123.68 3dmj n ARG 358 Ca 0.08 -4.69 -0.41 0.00 -1.93 0.00 0.00 57.85 50.90 3dmj n ARG 358 Cb 0.44 -2.44 -0.03 0.00 -1.16 0.00 0.00 32.46 29.26 3dmj n ARG 358 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3dmj s GLY 359 N -1.63 2.83 0.62 -0.13 0.00 -1.26 -4.88 107.32 102.88 3dmj s GLY 359 Ca 0.40 1.08 0.18 0.00 0.00 0.00 0.00 44.72 46.38 3dmj s GLY 359 CO -0.12 1.83 1.54 0.00 0.00 0.00 0.00 173.10 176.35 3dmj h ALA 360 N 4.26 1.54 0.00 3.20 0.00 -1.92 -3.34 119.26 123.01 3dmj h ALA 360 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dmj h ALA 360 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dmj h ALA 360 CO 0.70 -0.54 0.00 -2.39 0.00 0.00 0.00 179.25 177.02 3dmj n HIS 361 N -2.66 0.00 -3.46 0.00 1.44 -1.26 -2.36 115.22 106.93 3dmj n HIS 361 Ca -0.01 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.65 3dmj n HIS 361 Cb 0.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.70 3dmj n HIS 361 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 3dmj n THR 362 N 0.00 0.00 -4.05 0.61 5.66 -0.65 -5.00 114.28 110.85 3dmj n THR 362 Ca 0.00 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.42 3dmj n THR 362 Cb 0.00 0.41 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 3dmj n THR 362 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3dmj s ASN 363 N -1.85 0.41 0.28 1.09 2.20 -1.26 -0.94 114.94 114.87 3dmj s ASN 363 Ca 0.08 -0.88 0.02 0.00 -0.94 0.00 0.00 52.86 51.14 3dmj s ASN 363 Cb -0.01 0.20 0.59 0.00 -2.00 0.00 0.00 41.25 40.03 3dmj s ASN 363 CO 0.06 -0.57 1.81 0.44 -2.94 0.00 0.00 177.10 175.90 3dmj h ASP 364 N 3.31 0.84 -0.08 3.54 3.45 -1.91 -1.30 116.42 124.27 3dmj h ASP 364 Ca -0.34 0.07 -0.07 0.00 0.43 0.00 0.00 57.03 57.12 3dmj h ASP 364 Cb 1.16 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.82 3dmj h ASP 364 CO 0.61 0.40 -0.16 0.58 -1.57 0.00 0.00 179.24 179.11 3dmj h VAL 365 N 0.89 1.23 0.57 -1.35 2.07 -1.95 0.86 116.25 118.56 3dmj h VAL 365 Ca 0.51 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3dmj h VAL 365 Cb 0.61 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3dmj h VAL 365 CO -0.31 0.33 -0.27 0.50 0.02 0.00 0.00 177.57 177.85 3dmj h LYS 366 N 0.40 -0.73 -1.06 1.57 3.11 -1.74 -2.29 116.57 115.82 3dmj h LYS 366 Ca 0.07 0.05 0.28 0.00 -2.81 0.00 0.00 60.65 58.24 3dmj h LYS 366 Cb 0.51 0.17 -0.08 0.00 -1.00 0.00 0.00 32.23 31.82 3dmj h LYS 366 CO 0.03 -0.49 0.70 1.96 -2.81 0.00 0.00 179.45 178.84 3dmj h GLN 367 N -1.11 0.30 0.18 1.90 4.20 -1.17 0.35 115.11 119.77 3dmj h GLN 367 Ca -0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3dmj h GLN 367 Cb 0.58 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3dmj h GLN 367 CO 0.13 0.20 -0.09 1.25 -0.67 0.00 0.00 178.83 179.65 3dmj h LEU 368 N 0.31 -0.21 -1.93 1.46 6.46 -0.70 -0.91 115.31 119.79 3dmj h LEU 368 Ca 0.59 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.26 3dmj h LEU 368 Cb 1.66 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.64 3dmj h LEU 368 CO -0.24 -0.05 -0.03 0.71 -0.62 0.00 0.00 178.44 178.20 3dmj h THR 369 N -0.36 1.02 -0.40 1.05 1.35 0.22 -0.63 112.91 115.16 3dmj h THR 369 Ca -0.03 -0.12 -0.15 0.00 -0.55 0.00 0.00 66.41 65.56 3dmj h THR 369 Cb 0.28 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3dmj h THR 369 CO 0.04 0.03 -0.35 -0.33 -0.25 0.00 0.00 175.52 174.67 3dmj h GLU 370 N 0.00 0.94 -0.11 4.72 5.08 -0.72 -1.65 114.58 122.84 3dmj h GLU 370 Ca -0.00 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 3dmj h GLU 370 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3dmj h GLU 370 CO 0.00 1.13 0.04 0.00 -1.00 0.00 0.00 179.01 179.18 3dmj h ALA 371 N 0.82 0.14 -0.45 3.43 0.00 0.01 -1.58 119.26 121.63 3dmj h ALA 371 Ca 0.07 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3dmj h ALA 371 Cb 0.93 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 3dmj h ALA 371 CO 0.09 -0.25 -0.28 0.28 0.00 0.00 0.00 179.25 179.08 3dmj h VAL 372 N -0.00 0.27 -0.54 0.00 2.07 -1.07 -0.78 116.25 116.20 3dmj h VAL 372 Ca 0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 3dmj h VAL 372 Cb 0.20 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3dmj h VAL 372 CO -0.00 0.00 0.28 -0.61 0.02 0.00 0.00 177.57 177.26 3dmj h GLN 373 N -0.19 0.53 -0.46 1.57 -0.00 -1.04 0.43 115.11 115.96 3dmj h GLN 373 Ca 0.20 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.81 3dmj h GLN 373 Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.85 3dmj h GLN 373 CO -0.56 0.35 0.26 0.87 0.00 0.00 0.00 178.83 179.75 3dmj h LYS 374 N 0.54 0.63 -0.52 1.69 1.57 -0.46 0.72 116.57 120.74 3dmj h LYS 374 Ca 0.24 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3dmj h LYS 374 Cb 0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3dmj h LYS 374 CO -0.16 0.49 0.33 0.82 -0.57 0.00 0.00 179.45 180.36 3dmj h ILE 375 N 0.60 1.15 -0.49 1.86 2.04 -0.45 0.44 117.51 122.66 3dmj h ILE 375 Ca 0.16 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.72 3dmj h ILE 375 Cb 0.03 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3dmj h ILE 375 CO -0.03 0.15 0.31 0.74 0.00 0.00 0.00 178.15 179.32 3dmj h THR 376 N 0.71 1.08 -0.34 -0.27 2.02 0.38 0.16 112.91 116.64 3dmj h THR 376 Ca 0.19 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3dmj h THR 376 Cb -0.04 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3dmj h THR 376 CO -0.04 0.11 0.08 0.74 0.37 0.00 0.00 175.52 176.78 3dmj h THR 377 N 0.62 1.23 -0.86 3.16 2.02 -0.51 -1.69 112.91 116.87 3dmj h THR 377 Ca 0.19 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.66 3dmj h THR 377 Cb -0.02 1.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 3dmj h THR 377 CO -0.07 0.26 0.53 -0.08 0.37 0.00 0.00 175.52 176.53 3dmj h GLU 378 N 0.40 0.95 -0.24 6.66 4.81 -0.44 -2.08 114.58 124.64 3dmj h GLU 378 Ca 0.11 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3dmj h GLU 378 Cb 0.31 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3dmj h GLU 378 CO 0.00 0.63 -0.01 0.77 -0.73 0.00 0.00 179.01 179.67 3dmj h SER 379 N 0.98 0.43 0.01 1.04 0.02 -0.46 -0.58 113.55 114.98 3dmj h SER 379 Ca 0.37 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3dmj h SER 379 Cb 0.15 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3dmj h SER 379 CO -0.17 0.64 -0.01 0.40 -1.14 0.00 0.00 176.83 176.56 3dmj h ILE 380 N 0.19 0.93 0.01 3.27 2.04 -1.02 0.71 117.51 123.64 3dmj h ILE 380 Ca 0.07 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 3dmj h ILE 380 Cb 0.43 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3dmj h ILE 380 CO 0.01 0.01 -0.00 0.58 0.00 0.00 0.00 178.15 178.75 3dmj h VAL 381 N 0.00 1.59 0.01 1.67 2.07 -1.08 -2.19 116.25 118.31 3dmj h VAL 381 Ca -0.00 -1.90 -0.21 0.00 0.82 0.00 0.00 66.70 65.41 3dmj h VAL 381 Cb 0.01 2.86 0.02 0.00 -1.52 0.00 0.00 31.29 32.65 3dmj h VAL 381 CO 0.00 0.48 -0.83 0.40 0.02 0.00 0.00 177.57 177.64 3dmj h ILE 382 N -0.84 1.36 -0.00 4.57 2.04 -0.72 -3.39 117.51 120.52 3dmj h ILE 382 Ca -0.00 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.68 3dmj h ILE 382 Cb 0.80 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 3dmj h ILE 382 CO 0.00 0.65 -0.23 0.79 0.00 0.00 0.00 178.15 179.36 3dmj n TRP 383 N -4.04 0.00 -1.13 1.37 8.01 0.24 -4.66 117.44 117.24 3dmj n TRP 383 Ca -0.11 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.04 3dmj n TRP 383 Cb 0.78 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.06 3dmj n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dmj n GLY 384 N 0.95 0.65 3.21 6.99 0.00 -0.82 -4.97 105.19 111.20 3dmj n GLY 384 Ca 0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3dmj n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmj s LYS 385 N -1.80 0.99 -0.10 1.61 1.02 -1.25 -4.92 119.74 115.28 3dmj s LYS 385 Ca 0.00 -1.34 0.04 0.00 0.02 0.00 0.00 55.97 54.68 3dmj s LYS 385 Cb 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 3dmj s LYS 385 CO 0.00 -0.31 -0.23 -0.08 -0.92 0.00 0.00 175.35 173.81 3dmj s THR 386 N -4.02 2.04 1.02 2.17 -1.32 -1.26 -2.57 115.64 111.70 3dmj s THR 386 Ca 0.21 -1.00 -0.11 0.00 -1.21 0.00 0.00 61.69 59.58 3dmj s THR 386 Cb 0.06 -1.77 0.21 0.00 -1.51 0.00 0.00 72.50 69.49 3dmj s THR 386 CO 0.01 0.55 1.10 -2.84 -2.21 0.00 0.00 174.62 171.23 3dmj s PRO 387 N 0.41 0.18 -0.10 7.08 0.02 -1.26 -5.00 135.00 136.33 3dmj s PRO 387 Ca -0.17 1.30 -0.21 0.00 0.02 0.00 0.00 61.00 61.94 3dmj s PRO 387 Cb -0.18 -1.65 -0.04 0.00 0.02 0.00 0.00 34.50 32.66 3dmj s PRO 387 CO 0.07 -3.12 0.59 0.15 -0.33 0.00 0.00 177.00 174.36 3dmj s LYS 388 N -4.55 4.38 -0.01 5.54 3.01 0.06 -4.72 119.74 123.45 3dmj s LYS 388 Ca 0.68 0.66 -0.09 0.00 -1.01 0.00 0.00 55.97 56.21 3dmj s LYS 388 Cb -0.24 -3.45 -0.05 0.00 -1.01 0.00 0.00 37.83 33.08 3dmj s LYS 388 CO 0.61 0.08 0.29 -0.06 0.51 0.00 0.00 175.35 176.78 3dmj s PHE 389 N 0.81 3.61 -0.31 3.18 0.40 -0.45 -1.15 117.98 124.08 3dmj s PHE 389 Ca 0.32 0.68 0.04 0.00 -0.60 0.00 0.00 56.93 57.36 3dmj s PHE 389 Cb -0.16 -2.06 0.08 0.00 0.51 0.00 0.00 43.02 41.39 3dmj s PHE 389 CO 0.14 0.63 -0.02 0.15 0.70 0.00 0.00 175.22 176.82 3dmj s LYS 390 N -1.52 1.79 -0.03 0.44 1.02 -0.34 -0.00 119.74 121.10 3dmj s LYS 390 Ca 0.25 -1.66 0.03 0.00 0.02 0.00 0.00 55.97 54.62 3dmj s LYS 390 Cb -0.14 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 3dmj s LYS 390 CO 0.14 -0.79 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.17 3dmj s LEU 391 N 0.99 2.98 -0.05 3.17 1.43 -0.58 -2.10 118.68 124.52 3dmj s LEU 391 Ca 0.03 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 3dmj s LEU 391 Cb -0.19 -1.67 -0.26 0.00 0.03 0.00 0.00 46.19 44.10 3dmj s LEU 391 CO -0.07 0.32 3.59 -0.81 0.23 0.00 0.00 176.35 179.61 3dmj n PRO 392 N 1.98 2.05 -3.77 1.29 -0.04 -1.26 -1.79 135.00 133.46 3dmj n PRO 392 Ca -0.17 -1.07 -0.13 0.00 -0.04 0.00 0.00 63.50 62.10 3dmj n PRO 392 Cb 0.52 -2.02 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 3dmj n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3dmj s ILE 393 N 0.92 -0.02 0.32 0.52 2.07 -1.26 -0.88 121.20 122.87 3dmj s ILE 393 Ca 0.67 0.07 -0.28 0.00 -1.41 0.00 0.00 60.65 59.70 3dmj s ILE 393 Cb 0.32 -0.30 -0.09 0.00 0.13 0.00 0.00 42.46 42.52 3dmj s ILE 393 CO -0.01 0.03 1.09 -1.10 -1.91 0.00 0.00 174.94 173.04 3dmj s GLN 394 N 0.60 4.48 0.44 3.50 -0.21 -1.26 -4.62 119.66 122.58 3dmj s GLN 394 Ca -0.04 1.73 0.19 0.00 0.02 0.00 0.00 55.36 57.26 3dmj s GLN 394 Cb -0.05 -2.99 1.14 0.00 1.00 0.00 0.00 33.01 32.11 3dmj s GLN 394 CO -0.03 0.09 1.88 0.87 -2.12 0.00 0.00 175.29 175.98 3dmj h LYS 395 N 3.40 0.33 -0.18 2.91 1.79 -1.97 0.12 116.57 122.97 3dmj h LYS 395 Ca -0.47 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 57.83 3dmj h LYS 395 Cb 1.21 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 3dmj h LYS 395 CO 0.65 0.22 -0.50 1.05 -1.08 0.00 0.00 179.45 179.79 3dmj h GLU 396 N 0.34 0.51 -0.50 3.15 4.11 -1.98 0.61 114.58 120.81 3dmj h GLU 396 Ca 0.43 -0.30 -0.13 0.00 0.07 0.00 0.00 59.36 59.43 3dmj h GLU 396 Cb 1.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3dmj h GLU 396 CO -0.13 0.89 -0.18 1.15 0.07 0.00 0.00 179.01 180.81 3dmj h THR 397 N 0.40 1.27 -0.15 -1.06 2.02 -1.40 -0.60 112.91 113.38 3dmj h THR 397 Ca 0.02 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 3dmj h THR 397 Cb 1.02 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3dmj h THR 397 CO 0.09 0.47 -0.01 -0.25 0.37 0.00 0.00 175.52 176.19 3dmj h TRP 398 N 0.87 0.30 -0.66 3.16 -0.00 -1.03 -2.64 115.95 115.95 3dmj h TRP 398 Ca 0.12 -0.06 0.06 0.00 -0.00 0.00 0.00 58.89 59.01 3dmj h TRP 398 Cb 0.76 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 29.79 3dmj h TRP 398 CO 0.05 0.52 0.37 1.49 -0.00 0.00 0.00 178.44 180.86 3dmj h GLU 399 N -0.00 0.66 -0.47 2.65 4.57 -0.72 -1.62 114.58 119.64 3dmj h GLU 399 Ca 0.04 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 3dmj h GLU 399 Cb 0.40 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3dmj h GLU 399 CO 0.01 0.44 -0.12 1.15 -1.18 0.00 0.00 179.01 179.30 3dmj h THR 400 N 0.68 1.27 0.24 0.32 2.02 -1.10 -3.10 112.91 113.25 3dmj h THR 400 Ca 0.29 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 3dmj h THR 400 Cb 0.18 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3dmj h THR 400 CO -0.18 0.43 -0.12 -0.25 0.37 0.00 0.00 175.52 175.78 3dmj h TRP 401 N 0.77 -0.30 -0.39 3.16 7.01 -1.31 -3.35 115.95 121.54 3dmj h TRP 401 Ca 0.12 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.19 3dmj h TRP 401 Cb 0.68 0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 27.76 3dmj h TRP 401 CO 0.05 -0.19 -0.15 2.35 -2.79 0.00 0.00 178.44 177.71 3dmj h TRP 402 N -0.94 -0.36 -0.01 2.65 7.01 -1.44 -2.35 115.95 120.51 3dmj h TRP 402 Ca -0.03 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3dmj h TRP 402 Cb 0.25 0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 3dmj h TRP 402 CO 0.01 -0.23 0.02 1.79 -2.79 0.00 0.00 178.44 177.24 3dmj h THR 403 N -0.07 0.14 -0.05 2.65 1.35 -1.73 -2.66 112.91 112.54 3dmj h THR 403 Ca 0.19 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.01 3dmj h THR 403 Cb 0.36 0.98 -0.04 0.00 -1.73 0.00 0.00 68.15 67.73 3dmj h THR 403 CO -0.44 0.00 -0.54 1.21 -0.25 0.00 0.00 175.52 175.51 3dmj n GLU 404 N -3.28 1.68 -4.23 4.72 4.07 -0.91 -5.01 120.64 117.68 3dmj n GLU 404 Ca -0.03 -3.33 -0.34 0.00 -0.06 0.00 0.00 57.16 53.40 3dmj n GLU 404 Cb 0.10 -1.62 -0.14 0.00 -0.06 0.00 0.00 31.44 29.72 3dmj n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 3dmj s TYR 405 N -3.18 2.92 0.65 4.31 5.04 -1.00 -5.00 117.35 121.09 3dmj s TYR 405 Ca 0.39 -0.78 0.18 0.00 -2.44 0.00 0.00 57.07 54.42 3dmj s TYR 405 Cb 0.37 -2.00 0.89 0.00 0.35 0.00 0.00 41.96 41.57 3dmj s TYR 405 CO -0.07 -0.38 1.48 0.11 -1.34 0.00 0.00 175.55 175.35 3dmj h TRP 406 N 7.50 0.00 -3.32 4.97 5.08 -1.90 -3.41 115.95 124.88 3dmj h TRP 406 Ca -0.36 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 58.95 3dmj h TRP 406 Cb 1.18 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.20 3dmj h TRP 406 CO 0.55 0.00 -0.63 -1.14 -1.28 0.00 0.00 178.44 175.94 3dmj s GLN 407 N -4.17 2.87 0.18 0.12 0.74 -1.26 -5.06 119.66 113.07 3dmj s GLN 407 Ca -0.02 -0.55 -0.31 0.00 0.05 0.00 0.00 55.36 54.53 3dmj s GLN 407 Cb 0.07 -2.72 -0.09 0.00 1.10 0.00 0.00 33.01 31.36 3dmj s GLN 407 CO 0.23 0.65 1.45 0.00 -0.55 0.00 0.00 175.29 177.07 3dmj s ALA 408 N -1.06 3.65 0.21 1.58 0.00 -1.26 -4.98 121.76 119.90 3dmj s ALA 408 Ca 0.19 1.26 -0.08 0.00 0.00 0.00 0.00 51.96 53.33 3dmj s ALA 408 Cb -0.12 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 3dmj s ALA 408 CO 0.09 -0.69 0.32 -0.08 0.00 0.00 0.00 175.76 175.39 3dmj s THR 409 N 0.66 0.02 -0.25 0.00 -1.32 -1.26 -5.19 115.64 108.30 3dmj s THR 409 Ca 0.64 -1.59 -0.35 0.00 -1.21 0.00 0.00 61.69 59.18 3dmj s THR 409 Cb -0.40 -2.19 0.16 0.00 -1.51 0.00 0.00 72.50 68.55 3dmj s THR 409 CO 0.35 -0.09 1.31 0.86 -2.21 0.00 0.00 174.62 174.85 3dmj s TRP 410 N -4.05 -0.06 -0.02 9.09 -0.00 -1.26 -5.11 118.94 117.53 3dmj s TRP 410 Ca 0.26 0.06 0.01 0.00 -0.00 0.00 0.00 56.10 56.43 3dmj s TRP 410 Cb 0.03 0.50 0.02 0.00 -0.00 0.00 0.00 33.47 34.02 3dmj s TRP 410 CO 0.07 -0.09 -0.02 0.42 -0.00 0.00 0.00 176.95 177.34 3dmj s ILE 411 N -1.93 0.25 0.44 5.86 1.01 -1.26 -4.92 121.20 120.64 3dmj s ILE 411 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 3dmj s ILE 411 Cb -0.01 -0.29 0.11 0.00 0.01 0.00 0.00 42.46 42.29 3dmj s ILE 411 CO -0.04 0.13 0.29 -2.65 0.00 0.00 0.00 174.94 172.67 3dmj n PRO 412 N 3.73 -2.58 -1.67 2.79 -0.02 -1.26 -4.79 135.00 131.19 3dmj n PRO 412 Ca -0.22 -0.48 -0.50 0.00 -2.02 0.00 0.00 63.50 60.29 3dmj n PRO 412 Cb 0.53 -0.57 -0.05 0.00 -0.02 0.00 0.00 33.50 33.39 3dmj n PRO 412 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3dmj n GLU 413 N -3.02 1.89 -4.13 -0.52 2.13 -1.26 -4.85 120.64 110.89 3dmj n GLU 413 Ca 0.04 0.69 -0.11 0.00 0.66 0.00 0.00 57.16 58.44 3dmj n GLU 413 Cb 0.19 -2.47 -0.08 0.00 0.27 0.00 0.00 31.44 29.35 3dmj n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3dmj s TRP 414 N 2.72 0.90 0.12 4.31 1.48 -1.26 -1.34 118.94 125.86 3dmj s TRP 414 Ca 0.89 -1.16 -0.02 0.00 -1.06 0.00 0.00 56.10 54.75 3dmj s TRP 414 Cb -0.78 -0.29 -0.04 0.00 -1.16 0.00 0.00 33.47 31.21 3dmj s TRP 414 CO 0.50 -0.79 0.07 -1.83 -4.06 0.00 0.00 176.95 170.83 3dmj s GLU 415 N -4.05 0.90 0.21 3.25 -1.05 1.00 -4.90 118.70 114.05 3dmj s GLU 415 Ca 0.33 -1.37 -0.14 0.00 -0.15 0.00 0.00 54.97 53.64 3dmj s GLU 415 Cb 0.04 0.25 -0.07 0.00 -0.44 0.00 0.00 34.13 33.91 3dmj s GLU 415 CO 0.12 -0.25 0.60 0.12 0.95 0.00 0.00 175.26 176.80 3dmj s PHE 416 N -4.02 3.53 -0.11 4.83 5.36 -1.26 -1.52 117.98 124.79 3dmj s PHE 416 Ca 0.21 1.09 -0.03 0.00 -0.96 0.00 0.00 56.93 57.24 3dmj s PHE 416 Cb 0.07 -2.41 0.04 0.00 -0.34 0.00 0.00 43.02 40.39 3dmj s PHE 416 CO -0.00 0.32 0.05 0.54 -1.46 0.00 0.00 175.22 174.67 3dmj s VAL 417 N -1.64 0.12 -1.40 3.12 0.11 -0.74 -4.82 120.40 115.16 3dmj s VAL 417 Ca 0.43 0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.36 3dmj s VAL 417 Cb -0.14 -0.50 0.05 0.00 -1.53 0.00 0.00 36.38 34.26 3dmj s VAL 417 CO 0.20 0.01 2.03 -3.20 -3.33 0.00 0.00 175.10 170.81 3dmj n ASN 418 N 5.22 4.30 -3.93 3.54 2.85 -1.26 -3.98 115.26 121.99 3dmj n ASN 418 Ca -0.06 -2.87 -0.29 0.00 -0.11 0.00 0.00 54.58 51.24 3dmj n ASN 418 Cb 0.49 -1.69 -0.13 0.00 1.24 0.00 0.00 39.78 39.69 3dmj n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3dmj s THR 419 N 3.56 2.77 0.87 -0.44 2.01 -1.26 -5.10 115.64 118.05 3dmj s THR 419 Ca 0.50 -3.80 -0.15 0.00 0.31 0.00 0.00 61.69 58.54 3dmj s THR 419 Cb 0.10 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 3dmj s THR 419 CO -0.02 -0.90 0.08 -0.81 -0.69 0.00 0.00 174.62 172.27 3dmj n PRO 420 N 2.54 -0.03 -2.59 4.92 -0.04 -1.26 -4.58 135.00 133.97 3dmj n PRO 420 Ca 0.12 0.02 -0.40 0.00 -0.04 0.00 0.00 63.50 63.20 3dmj n PRO 420 Cb 0.34 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 3dmj n PRO 420 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3dmj s PRO 421 N -2.76 4.72 0.59 0.54 0.04 -1.26 -4.96 135.00 131.91 3dmj s PRO 421 Ca 0.55 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 3dmj s PRO 421 Cb -0.26 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 3dmj s PRO 421 CO 0.69 0.32 0.96 -0.51 0.04 0.00 0.00 177.00 178.50 3dmj s LEU 422 N -1.22 3.31 -0.27 -3.56 1.43 -1.26 -4.48 118.68 112.63 3dmj s LEU 422 Ca 0.44 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 3dmj s LEU 422 Cb -0.29 -4.19 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 3dmj s LEU 422 CO 0.37 -0.85 0.24 0.54 0.23 0.00 0.00 176.35 176.87 3dmj s VAL 423 N -3.06 5.28 0.36 -1.59 0.11 -0.06 -5.04 120.40 116.40 3dmj s VAL 423 Ca 0.53 0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.93 3dmj s VAL 423 Cb -0.11 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 3dmj s VAL 423 CO 0.51 0.25 0.21 -1.59 -3.33 0.00 0.00 175.10 171.15 3dmj s LYS 424 N 1.66 1.81 -0.24 1.54 -2.85 -1.26 -4.56 119.74 115.83 3dmj s LYS 424 Ca 0.10 -2.07 -0.18 0.00 -1.00 0.00 0.00 55.97 52.81 3dmj s LYS 424 Cb -0.15 -0.05 -0.03 0.00 -2.06 0.00 0.00 37.83 35.54 3dmj s LYS 424 CO 0.09 -0.57 0.54 -0.51 0.10 0.00 0.00 175.35 175.00 3dmj s LEU 425 N -3.46 4.08 0.51 2.77 1.43 -1.26 -4.72 118.68 118.02 3dmj s LEU 425 Ca 0.34 0.60 0.32 0.00 -1.03 0.00 0.00 54.13 54.36 3dmj s LEU 425 Cb 0.03 -2.71 1.35 0.00 0.03 0.00 0.00 46.19 44.89 3dmj s LEU 425 CO 0.22 -0.27 1.96 -0.50 0.23 0.00 0.00 176.35 177.98 3dmj h TRP 426 N 7.85 0.00 -1.99 0.29 4.06 -1.98 -3.46 115.95 120.72 3dmj h TRP 426 Ca -0.30 0.00 0.21 0.00 2.06 0.00 0.00 58.89 60.86 3dmj h TRP 426 Cb 1.14 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.18 3dmj h TRP 426 CO 0.74 0.00 0.62 1.52 -3.56 0.00 0.00 178.44 177.76 3dmj s TYR 427 N -3.63 -0.16 -0.27 0.49 1.13 -1.26 -4.58 117.35 109.08 3dmj s TYR 427 Ca 0.01 -0.02 -0.01 0.00 -1.41 0.00 0.00 57.07 55.63 3dmj s TYR 427 Cb 0.09 0.58 0.13 0.00 -1.10 0.00 0.00 41.96 41.65 3dmj s TYR 427 CO 0.51 -0.54 0.28 -0.65 -2.51 0.00 0.00 175.55 172.64 3dmj s GLN 428 N -2.92 0.29 0.37 -3.49 -0.21 -1.26 -5.10 119.66 107.35 3dmj s GLN 428 Ca 0.11 -0.05 -0.25 0.00 0.02 0.00 0.00 55.36 55.19 3dmj s GLN 428 Cb 0.00 -0.78 -0.12 0.00 1.00 0.00 0.00 33.01 33.11 3dmj s GLN 428 CO -0.03 -0.93 0.90 1.28 -2.12 0.00 0.00 175.29 174.39 3dmj n LEU 429 N 5.31 1.71 -4.75 2.90 4.77 -1.26 -4.77 117.00 120.91 3dmj n LEU 429 Ca -0.03 1.06 -0.35 0.00 -0.03 0.00 0.00 56.01 56.65 3dmj n LEU 429 Cb 0.47 -1.27 0.04 0.00 -2.33 0.00 0.00 43.42 40.33 3dmj n LEU 429 CO 0.03 -1.79 0.81 -1.61 -1.33 0.00 0.00 177.39 173.50 3dmj s GLU 430 N -1.75 2.86 0.10 3.23 0.41 0.15 -4.94 118.70 118.75 3dmj s GLU 430 Ca 0.62 1.73 -0.13 0.00 -0.41 0.00 0.00 54.97 56.78 3dmj s GLU 430 Cb -0.62 -1.92 -0.15 0.00 -1.78 0.00 0.00 34.13 29.65 3dmj s GLU 430 CO 0.58 -1.27 1.31 0.87 -0.49 0.00 0.00 175.26 176.26 3dmj h LYS 431 N 0.62 0.79 -5.38 1.61 6.56 -1.91 -3.45 116.57 115.42 3dmj h LYS 431 Ca -0.49 -0.63 -0.49 0.00 -1.06 0.00 0.00 60.65 57.98 3dmj h LYS 431 Cb 1.29 0.12 -0.14 0.00 -0.57 0.00 0.00 32.23 32.93 3dmj h LYS 431 CO 0.54 1.24 -0.64 -1.21 -2.06 0.00 0.00 179.45 177.32 3dmj s GLU 432 N -3.80 1.62 0.80 3.15 0.41 -1.26 -5.11 118.70 114.50 3dmj s GLU 432 Ca -0.11 -1.86 -0.14 0.00 -0.41 0.00 0.00 54.97 52.45 3dmj s GLU 432 Cb 0.09 -1.05 0.04 0.00 -1.78 0.00 0.00 34.13 31.43 3dmj s GLU 432 CO 0.90 -0.07 0.94 -2.30 -0.49 0.00 0.00 175.26 174.23 3dmj n PRO 433 N -0.65 0.18 -3.61 0.39 -0.02 -1.26 -4.90 135.00 125.11 3dmj n PRO 433 Ca -0.04 0.12 -0.37 0.00 -2.02 0.00 0.00 63.50 61.20 3dmj n PRO 433 Cb 0.65 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 3dmj n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dmj s ILE 434 N -2.09 5.29 0.03 4.25 1.01 -1.26 -5.07 121.20 123.36 3dmj s ILE 434 Ca 0.70 0.52 -0.22 0.00 0.00 0.00 0.00 60.65 61.65 3dmj s ILE 434 Cb -0.30 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 3dmj s ILE 434 CO 0.54 0.49 0.65 -0.69 0.00 0.00 0.00 174.94 175.93 3dmj s VAL 435 N -0.24 4.81 -0.61 2.92 1.01 -1.26 -3.78 120.40 123.25 3dmj s VAL 435 Ca 0.17 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.52 3dmj s VAL 435 Cb -0.14 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3dmj s VAL 435 CO 0.06 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3dmj n GLY 436 N 2.29 0.77 3.35 4.51 0.00 -1.26 -5.02 105.19 109.84 3dmj n GLY 436 Ca -0.06 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 3dmj n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmj s ALA 437 N -2.22 2.45 0.49 4.61 0.00 -1.25 -5.08 121.76 120.76 3dmj s ALA 437 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 3dmj s ALA 437 Cb 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 3dmj s ALA 437 CO 0.00 0.37 0.99 -1.91 0.00 0.00 0.00 175.76 175.21 3dmj n GLU 438 N 3.10 1.21 -3.93 0.00 2.13 -1.26 -4.62 120.64 117.27 3dmj n GLU 438 Ca -0.18 0.44 -0.34 0.00 0.66 0.00 0.00 57.16 57.74 3dmj n GLU 438 Cb 0.52 -2.10 -0.14 0.00 0.27 0.00 0.00 31.44 30.00 3dmj n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3dmj s THR 439 N -1.38 2.81 -0.25 6.31 2.01 -1.26 -1.01 115.64 122.87 3dmj s THR 439 Ca 0.67 -1.67 -0.19 0.00 0.31 0.00 0.00 61.69 60.82 3dmj s THR 439 Cb -0.50 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 3dmj s THR 439 CO 0.54 -0.26 0.57 -0.36 -0.69 0.00 0.00 174.62 174.41 3dmj s PHE 440 N 1.16 3.28 -0.57 4.92 0.40 0.64 -1.86 117.98 125.96 3dmj s PHE 440 Ca -0.01 0.73 -0.19 0.00 -0.60 0.00 0.00 56.93 56.85 3dmj s PHE 440 Cb -0.20 -2.77 0.08 0.00 0.51 0.00 0.00 43.02 40.64 3dmj s PHE 440 CO -0.03 -0.29 0.70 0.71 0.70 0.00 0.00 175.22 177.01 3dmj s TYR 441 N 2.34 2.99 0.18 0.36 1.51 -0.75 -0.81 117.35 123.17 3dmj s TYR 441 Ca 0.24 -0.77 -0.05 0.00 -1.01 0.00 0.00 57.07 55.48 3dmj s TYR 441 Cb -0.16 -3.87 -0.05 0.00 -0.11 0.00 0.00 41.96 37.77 3dmj s TYR 441 CO 0.09 -1.23 0.42 0.14 -1.11 0.00 0.00 175.55 173.86 3dmj s VAL 442 N 2.79 5.13 -0.20 0.71 -7.23 -0.09 -1.87 120.40 119.64 3dmj s VAL 442 Ca 0.14 0.02 -0.24 0.00 -1.81 0.00 0.00 61.98 60.09 3dmj s VAL 442 Cb -0.22 -3.66 0.06 0.00 0.56 0.00 0.00 36.38 33.13 3dmj s VAL 442 CO 0.09 -0.06 0.64 -0.62 -0.31 0.00 0.00 175.10 174.83 3dmj s ASP 443 N -2.65 -0.65 -0.00 4.85 2.15 -0.24 -4.52 116.67 115.61 3dmj s ASP 443 Ca 0.42 1.15 0.01 0.00 0.43 0.00 0.00 52.55 54.55 3dmj s ASP 443 Cb -0.12 1.14 0.00 0.00 -0.30 0.00 0.00 42.92 43.65 3dmj s ASP 443 CO 0.26 -0.30 -0.02 -0.83 -0.17 0.00 0.00 175.17 174.11 3dmj s GLY 444 N 0.01 0.12 -0.01 2.66 0.00 -1.26 -1.98 107.32 106.86 3dmj s GLY 444 Ca -0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.53 3dmj s GLY 444 CO 0.03 -0.00 0.20 0.00 0.00 0.00 0.00 173.10 173.33 3dmj s ALA 445 N 0.07 -0.50 -0.10 3.20 0.00 -0.85 -4.45 121.76 119.14 3dmj s ALA 445 Ca -0.00 0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 3dmj s ALA 445 Cb -0.02 0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.20 3dmj s ALA 445 CO -0.00 -0.21 0.63 0.00 0.00 0.00 0.00 175.76 176.17 3dmj s ALA 446 N -1.19 -1.60 -0.56 0.00 0.00 -1.26 -0.88 121.76 116.27 3dmj s ALA 446 Ca -0.13 1.34 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 3dmj s ALA 446 Cb -0.06 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3dmj s ALA 446 CO 0.02 -0.34 1.46 1.21 0.00 0.00 0.00 175.76 178.12 3dmj s ASN 447 N -0.78 6.05 0.43 0.00 3.84 -0.97 -4.71 114.94 118.80 3dmj s ASN 447 Ca -0.08 0.33 0.29 0.00 0.21 0.00 0.00 52.86 53.61 3dmj s ASN 447 Cb -0.02 -2.54 1.57 0.00 -0.55 0.00 0.00 41.25 39.70 3dmj s ASN 447 CO 0.07 -1.76 1.88 0.03 -2.79 0.00 0.00 177.10 174.53 3dmj h ARG 448 N 11.42 0.00 0.00 0.43 2.47 -1.90 1.09 114.38 127.89 3dmj h ARG 448 Ca -0.27 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.29 3dmj h ARG 448 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 3dmj h ARG 448 CO 1.17 0.00 -0.94 0.93 0.56 0.00 0.00 179.97 181.70 3dmj h GLU 449 N 0.00 0.00 0.00 0.04 5.08 -1.94 -3.37 114.58 114.40 3dmj h GLU 449 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dmj h GLU 449 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3dmj h GLU 449 CO 0.00 0.78 -0.10 0.25 -1.00 0.00 0.00 179.01 178.93 3dmj n THR 450 N -4.50 0.34 -3.35 1.13 -2.24 -1.04 -4.93 114.28 99.69 3dmj n THR 450 Ca -0.24 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 3dmj n THR 450 Cb 0.56 -0.45 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 3dmj n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dmj n LYS 451 N -1.95 -4.63 -3.92 -0.78 5.02 0.37 -4.60 118.16 107.68 3dmj n LYS 451 Ca 0.06 0.68 -0.35 0.00 -2.02 0.00 0.00 58.31 56.68 3dmj n LYS 451 Cb 0.40 -5.50 -0.14 0.00 -0.02 0.00 0.00 35.03 29.76 3dmj n LYS 451 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dmj s LEU 452 N -6.76 2.85 0.00 -0.35 1.43 -1.23 0.94 118.68 115.56 3dmj s LEU 452 Ca 0.42 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3dmj s LEU 452 Cb -0.21 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3dmj s LEU 452 CO 0.52 -0.02 0.21 0.61 0.23 0.00 0.00 176.35 177.91 3dmj n GLY 453 N 4.79 3.11 3.01 -3.19 0.00 0.25 -2.30 105.19 110.85 3dmj n GLY 453 Ca -0.18 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 3dmj n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmj s LYS 454 N -3.34 0.52 -0.01 1.61 1.02 -0.06 0.14 119.74 119.63 3dmj s LYS 454 Ca 0.30 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.88 3dmj s LYS 454 Cb 0.01 -0.44 -0.00 0.00 -0.52 0.00 0.00 37.83 36.89 3dmj s LYS 454 CO 0.21 0.11 -0.06 0.00 -0.92 0.00 0.00 175.35 174.69 3dmj s ALA 455 N -0.60 0.50 0.01 5.17 0.00 -0.54 -2.00 121.76 124.30 3dmj s ALA 455 Ca -0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 3dmj s ALA 455 Cb -0.05 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 22.98 3dmj s ALA 455 CO 0.00 0.11 0.71 0.41 0.00 0.00 0.00 175.76 176.99 3dmj n GLY 456 N 3.01 0.51 3.54 0.00 0.00 -0.84 0.73 105.19 112.13 3dmj n GLY 456 Ca -0.14 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 3dmj n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dmj s TYR 457 N -2.76 0.85 -0.26 1.61 -0.85 -0.69 -1.08 117.35 114.18 3dmj s TYR 457 Ca 0.16 -1.16 -0.02 0.00 -0.52 0.00 0.00 57.07 55.53 3dmj s TYR 457 Cb -0.01 0.06 0.15 0.00 0.38 0.00 0.00 41.96 42.54 3dmj s TYR 457 CO 0.00 -1.17 0.43 0.08 -1.52 0.00 0.00 175.55 173.38 3dmj s VAL 458 N -3.10 -0.70 0.61 -3.49 1.01 -0.78 -2.48 120.40 111.46 3dmj s VAL 458 Ca 0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 3dmj s VAL 458 Cb -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3dmj s VAL 458 CO 0.18 -0.09 0.92 0.42 0.00 0.00 0.00 175.10 176.53 3dmj s THR 459 N 2.63 3.41 0.00 3.92 -4.23 0.61 -1.80 115.64 120.17 3dmj s THR 459 Ca 0.14 -0.03 0.32 0.00 -1.18 0.00 0.00 61.69 60.94 3dmj s THR 459 Cb -0.15 -3.37 0.38 0.00 1.34 0.00 0.00 72.50 70.70 3dmj s THR 459 CO -0.17 -0.39 1.92 -0.55 -0.54 0.00 0.00 174.62 174.89 3dmj h ASN 460 N -0.26 0.00 -0.03 3.99 -1.07 -1.69 -2.70 115.58 113.82 3dmj h ASN 460 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 3dmj h ASN 460 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 3dmj h ASN 460 CO 0.61 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.65 3dmj n ARG 461 N -3.06 1.23 -0.17 4.14 1.74 -1.26 -4.91 116.66 114.36 3dmj n ARG 461 Ca 0.01 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 3dmj n ARG 461 Cb 0.34 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3dmj n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dmj n GLY 462 N 0.98 0.70 3.74 -0.13 0.00 -1.02 -5.06 105.19 104.40 3dmj n GLY 462 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3dmj n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dmj s ARG 463 N -0.73 4.72 0.17 1.61 3.52 -1.26 -4.85 118.95 122.14 3dmj s ARG 463 Ca 0.00 1.53 -0.07 0.00 -0.13 0.00 0.00 55.73 57.06 3dmj s ARG 463 Cb 0.00 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 3dmj s ARG 463 CO 0.00 0.27 0.25 1.14 -0.81 0.00 0.00 175.30 176.15 3dmj s GLN 464 N -0.45 1.17 -0.10 5.12 -2.07 -1.26 -0.28 119.66 121.79 3dmj s GLN 464 Ca 0.46 -1.29 -0.30 0.00 -1.82 0.00 0.00 55.36 52.40 3dmj s GLN 464 Cb -0.26 0.35 0.12 0.00 -1.09 0.00 0.00 33.01 32.13 3dmj s GLN 464 CO 0.32 -0.42 0.98 0.21 -1.32 0.00 0.00 175.29 175.06 3dmj s LYS 465 N -4.02 0.65 -0.20 9.60 2.20 -1.04 -4.97 119.74 121.97 3dmj s LYS 465 Ca 0.22 -0.07 -0.16 0.00 -0.36 0.00 0.00 55.97 55.61 3dmj s LYS 465 Cb 0.04 0.30 0.05 0.00 -1.51 0.00 0.00 37.83 36.72 3dmj s LYS 465 CO 0.03 -0.25 0.51 0.54 -0.36 0.00 0.00 175.35 175.82 3dmj s VAL 466 N -2.08 -0.01 -0.04 4.02 0.11 -1.26 -1.70 120.40 119.44 3dmj s VAL 466 Ca 0.02 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 3dmj s VAL 466 Cb -0.01 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 3dmj s VAL 466 CO -0.04 0.01 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.85 3dmj s VAL 467 N 0.63 1.66 -0.18 2.04 1.01 0.22 -4.93 120.40 120.84 3dmj s VAL 467 Ca -0.03 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 3dmj s VAL 467 Cb -0.05 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3dmj s VAL 467 CO -0.04 0.47 0.52 0.42 0.00 0.00 0.00 175.10 176.47 3dmj s THR 468 N -0.10 5.11 -0.02 3.92 -4.23 -1.26 -1.47 115.64 117.59 3dmj s THR 468 Ca -0.02 0.98 0.06 0.00 -1.18 0.00 0.00 61.69 61.53 3dmj s THR 468 Cb -0.12 -3.85 -0.01 0.00 1.34 0.00 0.00 72.50 69.86 3dmj s THR 468 CO 0.02 0.20 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.34 3dmj s LEU 469 N 1.48 2.03 0.20 4.79 1.43 0.12 -4.99 118.68 123.74 3dmj s LEU 469 Ca 0.25 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 53.07 3dmj s LEU 469 Cb -0.15 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 3dmj s LEU 469 CO 0.10 0.24 -0.07 0.42 0.23 0.00 0.00 176.35 177.28 3dmj s THR 470 N -0.42 3.29 -1.20 5.49 -4.23 -1.26 0.87 115.64 118.18 3dmj s THR 470 Ca 0.06 -1.71 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 3dmj s THR 470 Cb -0.08 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 3dmj s THR 470 CO -0.00 -0.18 0.83 -0.67 -0.54 0.00 0.00 174.62 174.06 3dmj n ASP 471 N -0.21 -3.30 -4.41 3.99 2.03 0.27 -4.94 116.55 109.98 3dmj n ASP 471 Ca -0.09 -0.78 -0.20 0.00 0.52 0.00 0.00 54.79 54.23 3dmj n ASP 471 Cb 0.56 -4.47 -0.10 0.00 -0.72 0.00 0.00 41.12 36.39 3dmj n ASP 471 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3dmj s THR 472 N -3.50 1.03 0.27 5.18 -1.32 0.99 -5.03 115.64 113.27 3dmj s THR 472 Ca 0.18 -2.00 0.12 0.00 -1.21 0.00 0.00 61.69 58.78 3dmj s THR 472 Cb -0.04 -2.75 -0.05 0.00 -1.51 0.00 0.00 72.50 68.15 3dmj s THR 472 CO 0.78 0.00 -0.20 0.42 -2.21 0.00 0.00 174.62 173.41 3dmj s THR 473 N -3.40 2.47 0.23 5.08 -4.23 -1.26 -4.40 115.64 110.13 3dmj s THR 473 Ca 0.37 -2.36 -0.08 0.00 -1.18 0.00 0.00 61.69 58.44 3dmj s THR 473 Cb 0.08 -2.28 0.21 0.00 1.34 0.00 0.00 72.50 71.85 3dmj s THR 473 CO 0.15 -0.36 1.90 -1.13 -0.54 0.00 0.00 174.62 174.63 3dmj h ASN 474 N 2.39 0.99 -0.31 3.99 -0.73 -1.93 -1.54 115.58 118.43 3dmj h ASN 474 Ca -0.41 -0.02 0.04 0.00 1.87 0.00 0.00 56.30 57.79 3dmj h ASN 474 Cb 1.25 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.56 3dmj h ASN 474 CO 0.58 0.70 0.06 -0.61 -0.37 0.00 0.00 177.43 177.79 3dmj h GLN 475 N 1.16 0.17 -0.24 6.67 4.15 -1.96 -1.59 115.11 123.47 3dmj h GLN 475 Ca 0.33 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.70 3dmj h GLN 475 Cb -0.08 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3dmj h GLN 475 CO -0.09 0.11 -0.03 0.87 -1.93 0.00 0.00 178.83 177.76 3dmj h LYS 476 N 0.17 0.37 -0.09 1.69 1.57 -1.80 -0.80 116.57 117.68 3dmj h LYS 476 Ca 0.15 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3dmj h LYS 476 Cb 0.16 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3dmj h LYS 476 CO -0.19 0.42 -0.07 1.79 -0.57 0.00 0.00 179.45 180.83 3dmj h THR 477 N 0.36 1.35 -0.95 -0.16 1.35 -0.71 0.96 112.91 115.10 3dmj h THR 477 Ca 0.08 -1.16 0.04 0.00 -0.55 0.00 0.00 66.41 64.82 3dmj h THR 477 Cb 0.29 1.93 -0.06 0.00 -1.73 0.00 0.00 68.15 68.59 3dmj h THR 477 CO 0.01 0.33 0.62 -0.33 -0.25 0.00 0.00 175.52 175.89 3dmj h GLU 478 N -0.20 1.15 -0.39 4.72 5.08 -1.07 0.48 114.58 124.35 3dmj h GLU 478 Ca 0.02 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3dmj h GLU 478 Cb 0.55 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3dmj h GLU 478 CO 0.02 0.76 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.57 3dmj h LEU 479 N 1.18 0.80 -1.02 1.33 3.38 -1.09 -2.58 115.31 117.31 3dmj h LEU 479 Ca 0.38 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3dmj h LEU 479 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3dmj h LEU 479 CO -0.13 1.00 0.03 -0.61 0.09 0.00 0.00 178.44 178.82 3dmj h GLN 480 N 0.58 0.73 -0.32 1.13 5.75 0.15 -0.69 115.11 122.44 3dmj h GLN 480 Ca 0.09 -0.18 0.07 0.00 -0.15 0.00 0.00 58.65 58.49 3dmj h GLN 480 Cb 0.68 -0.10 -0.08 0.00 1.07 0.00 0.00 27.48 29.06 3dmj h GLN 480 CO 0.05 0.73 -0.25 0.00 -2.65 0.00 0.00 178.83 176.71 3dmj h ALA 481 N 1.34 -0.08 -0.65 3.38 0.00 0.30 0.15 119.26 123.70 3dmj h ALA 481 Ca 0.14 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3dmj h ALA 481 Cb 0.39 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3dmj h ALA 481 CO 0.01 -0.65 0.35 0.82 0.00 0.00 0.00 179.25 179.78 3dmj h ILE 482 N -0.22 1.21 -0.33 0.00 2.04 -1.10 -2.29 117.51 116.83 3dmj h ILE 482 Ca 0.16 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3dmj h ILE 482 Cb 0.47 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3dmj h ILE 482 CO -0.45 0.23 0.19 0.22 0.00 0.00 0.00 178.15 178.35 3dmj h TYR 483 N 0.89 0.36 -0.38 1.37 3.20 0.08 -0.39 116.97 122.10 3dmj h TYR 483 Ca 0.23 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.15 3dmj h TYR 483 Cb 0.06 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3dmj h TYR 483 CO -0.00 0.21 0.14 -0.07 -1.64 0.00 0.00 178.16 176.80 3dmj h LEU 484 N 0.40 0.17 -0.15 2.82 3.38 -0.53 0.36 115.31 121.76 3dmj h LEU 484 Ca 0.13 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3dmj h LEU 484 Cb 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3dmj h LEU 484 CO -0.06 0.14 -0.12 0.00 0.09 0.00 0.00 178.44 178.49 3dmj h ALA 485 N 1.23 -0.01 -0.63 1.53 0.00 -0.86 0.52 119.26 121.05 3dmj h ALA 485 Ca 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3dmj h ALA 485 Cb 0.13 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3dmj h ALA 485 CO -0.16 -0.56 0.36 -0.07 0.00 0.00 0.00 179.25 178.82 3dmj h LEU 486 N -0.13 0.78 0.15 0.00 3.38 -0.64 0.39 115.31 119.24 3dmj h LEU 486 Ca 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dmj h LEU 486 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3dmj h LEU 486 CO -0.23 0.64 -0.07 -0.61 0.09 0.00 0.00 178.44 178.26 3dmj h GLN 487 N 0.86 -0.20 0.00 1.13 4.15 0.64 -3.20 115.11 118.49 3dmj h GLN 487 Ca 0.22 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.54 3dmj h GLN 487 Cb 0.02 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3dmj h GLN 487 CO -0.04 -0.13 -0.57 -0.44 -1.93 0.00 0.00 178.83 175.73 3dmj h ASP 488 N -0.21 0.00 -3.55 -0.69 3.45 0.15 -3.47 116.42 112.10 3dmj h ASP 488 Ca -0.02 0.00 -0.43 0.00 0.43 0.00 0.00 57.03 57.01 3dmj h ASP 488 Cb 0.16 0.00 0.19 0.00 -0.56 0.00 0.00 39.33 39.12 3dmj h ASP 488 CO 0.03 0.57 0.10 -0.94 -1.57 0.00 0.00 179.24 177.43 3dmj s SER 489 N -6.49 1.36 0.00 6.45 1.04 0.14 -5.07 113.70 111.13 3dmj s SER 489 Ca 0.04 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.51 3dmj s SER 489 Cb 0.08 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.61 3dmj s SER 489 CO 0.75 -3.90 0.00 0.61 0.98 0.00 0.00 173.24 171.69 3dmj n GLY 490 N -0.41 0.73 0.06 7.32 0.00 -1.26 -4.94 105.19 106.69 3dmj n GLY 490 Ca 0.07 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.56 3dmj n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dmj n LEU 491 N 0.00 0.25 -3.71 0.99 4.77 -1.26 -4.60 117.00 113.44 3dmj n LEU 491 Ca 0.00 0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.87 3dmj n LEU 491 Cb 0.00 -0.19 -0.18 0.00 -2.33 0.00 0.00 43.42 40.72 3dmj n LEU 491 CO 0.00 0.05 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.14 3dmj s GLU 492 N -2.43 0.19 0.02 3.23 2.02 -1.25 0.30 118.70 120.77 3dmj s GLU 492 Ca 0.32 0.25 -0.08 0.00 0.02 0.00 0.00 54.97 55.49 3dmj s GLU 492 Cb 0.20 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.69 3dmj s GLU 492 CO 0.45 -0.33 0.15 0.54 0.02 0.00 0.00 175.26 176.08 3dmj s VAL 493 N 2.09 0.10 -0.12 2.63 0.11 -0.55 -4.01 120.40 120.66 3dmj s VAL 493 Ca 0.05 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 3dmj s VAL 493 Cb -0.12 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 3dmj s VAL 493 CO -0.04 -0.45 -0.14 0.20 -3.33 0.00 0.00 175.10 171.35 3dmj s ASN 494 N -1.68 3.97 -0.08 3.54 0.01 -0.18 -1.83 114.94 118.69 3dmj s ASN 494 Ca -0.11 -0.33 0.03 0.00 -0.71 0.00 0.00 52.86 51.74 3dmj s ASN 494 Cb -0.05 -1.54 0.01 0.00 0.41 0.00 0.00 41.25 40.08 3dmj s ASN 494 CO -0.01 0.18 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.97 3dmj s ILE 495 N 0.26 1.47 -0.15 0.60 1.01 0.32 -0.26 121.20 124.45 3dmj s ILE 495 Ca -0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 3dmj s ILE 495 Cb -0.16 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3dmj s ILE 495 CO 0.05 0.43 -0.10 -0.69 0.00 0.00 0.00 174.94 174.64 3dmj s VAL 496 N 0.56 3.32 0.03 2.92 1.01 0.01 -0.58 120.40 127.66 3dmj s VAL 496 Ca -0.16 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3dmj s VAL 496 Cb -0.17 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3dmj s VAL 496 CO 0.05 0.51 0.16 0.28 0.00 0.00 0.00 175.10 176.10 3dmj s THR 497 N 0.47 0.11 -0.20 3.92 -1.32 -0.70 -0.91 115.64 117.01 3dmj s THR 497 Ca -0.07 -0.89 0.16 0.00 -1.21 0.00 0.00 61.69 59.68 3dmj s THR 497 Cb -0.15 -0.80 0.60 0.00 -1.51 0.00 0.00 72.50 70.64 3dmj s THR 497 CO 0.04 -0.49 1.51 -0.90 -2.21 0.00 0.00 174.62 172.57 3dmj n ASP 498 N 0.87 4.32 -4.68 8.08 5.68 -1.26 -2.15 116.55 127.42 3dmj n ASP 498 Ca -0.20 -3.02 -0.43 0.00 -0.50 0.00 0.00 54.79 50.65 3dmj n ASP 498 Cb 0.58 -0.59 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 3dmj n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3dmj s SER 499 N -1.66 7.12 0.32 -1.12 0.15 -1.26 -4.51 113.70 112.73 3dmj s SER 499 Ca 0.46 1.63 0.03 0.00 0.70 0.00 0.00 55.95 58.77 3dmj s SER 499 Cb 0.36 -2.55 0.53 0.00 -1.71 0.00 0.00 66.02 62.65 3dmj s SER 499 CO 0.10 -0.57 1.83 1.56 1.20 0.00 0.00 173.24 177.36 3dmj h GLN 500 N 7.42 0.54 -0.51 5.44 1.08 -1.96 -2.84 115.11 124.28 3dmj h GLN 500 Ca -0.30 -0.14 -0.12 0.00 -1.45 0.00 0.00 58.65 56.65 3dmj h GLN 500 Cb 1.13 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 3dmj h GLN 500 CO 0.90 0.61 -0.14 -0.92 -0.95 0.00 0.00 178.83 178.33 3dmj h TYR 501 N 0.51 1.13 -0.27 2.96 -0.00 -2.00 -2.48 116.97 116.82 3dmj h TYR 501 Ca 0.10 -0.25 -0.01 0.00 -0.00 0.00 0.00 58.73 58.57 3dmj h TYR 501 Cb 0.42 -0.27 -0.01 0.00 -0.00 0.00 0.00 36.73 36.86 3dmj h TYR 501 CO 0.01 1.07 0.12 0.00 -0.00 0.00 0.00 178.16 179.36 3dmj h ALA 502 N 0.90 1.71 -0.74 1.82 0.00 -1.92 0.50 119.26 121.51 3dmj h ALA 502 Ca 0.13 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3dmj h ALA 502 Cb 0.71 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3dmj h ALA 502 CO 0.05 0.24 0.49 1.25 0.00 0.00 0.00 179.25 181.29 3dmj h LEU 503 N 0.38 0.57 -0.62 0.00 5.85 -1.22 0.10 115.31 120.38 3dmj h LEU 503 Ca 0.10 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3dmj h LEU 503 Cb 0.06 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3dmj h LEU 503 CO -0.01 0.34 -0.16 1.23 -0.34 0.00 0.00 178.44 179.50 3dmj h GLY 504 N 0.63 1.01 1.42 3.75 0.00 0.07 -2.99 103.07 106.97 3dmj h GLY 504 Ca 0.34 -0.83 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 3dmj h GLY 504 CO -0.12 0.76 -0.03 -2.22 0.00 0.00 0.00 176.54 174.93 3dmj h ILE 505 N 0.82 1.24 -0.40 2.60 2.04 -0.62 -0.62 117.51 122.57 3dmj h ILE 505 Ca 0.12 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3dmj h ILE 505 Cb 0.70 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3dmj h ILE 505 CO 0.05 0.34 -0.01 0.40 0.00 0.00 0.00 178.15 178.93 3dmj h ILE 506 N 0.66 1.22 0.11 -0.67 2.04 -1.16 0.76 117.51 120.47 3dmj h ILE 506 Ca 0.13 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 64.93 3dmj h ILE 506 Cb 0.45 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3dmj h ILE 506 CO 0.02 0.31 -0.66 -0.61 0.00 0.00 0.00 178.15 177.22 3dmj h GLN 507 N 0.61 0.22 0.10 2.37 4.15 -1.34 -3.40 115.11 117.82 3dmj h GLN 507 Ca 0.12 -0.38 -0.37 0.00 0.77 0.00 0.00 58.65 58.80 3dmj h GLN 507 Cb 0.40 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 3dmj h GLN 507 CO 0.02 1.18 -2.05 0.00 -1.93 0.00 0.00 178.83 176.05 3dmj n ALA 508 N -2.68 0.98 -3.48 3.38 0.00 -0.27 -4.55 120.51 113.89 3dmj n ALA 508 Ca -0.14 -0.66 -0.24 0.00 0.00 0.00 0.00 53.44 52.40 3dmj n ALA 508 Cb 0.75 -0.62 0.06 0.00 0.00 0.00 0.00 19.45 19.64 3dmj n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dmj n GLN 509 N -3.43 -1.69 -1.75 0.00 6.02 0.26 -4.94 117.38 111.85 3dmj n GLN 509 Ca -0.33 0.65 -0.34 0.00 -0.01 0.00 0.00 57.00 56.97 3dmj n GLN 509 Cb 1.04 -4.91 0.05 0.00 1.02 0.00 0.00 30.24 27.44 3dmj n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3dmj s PRO 510 N -5.24 2.72 -0.11 -1.09 0.04 -1.26 -4.86 135.00 125.20 3dmj s PRO 510 Ca 0.47 1.52 0.14 0.00 0.04 0.00 0.00 61.00 63.17 3dmj s PRO 510 Cb -0.12 -1.93 0.31 0.00 0.04 0.00 0.00 34.50 32.80 3dmj s PRO 510 CO 0.81 -1.34 1.15 -0.40 0.04 0.00 0.00 177.00 177.26 3dmj n ASP 511 N -2.32 1.49 0.00 6.66 5.68 -0.12 -4.96 116.55 122.99 3dmj n ASP 511 Ca 0.11 -2.98 0.00 0.00 -0.50 0.00 0.00 54.79 51.42 3dmj n ASP 511 Cb 0.51 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3dmj n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dmj n GLN 512 N -0.74 0.00 -1.17 0.11 10.64 -1.11 -4.92 117.38 120.20 3dmj n GLN 512 Ca 0.12 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.29 3dmj n GLN 512 Cb 0.76 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.14 3dmj n GLN 512 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3dmj n SER 513 N 0.00 -0.02 0.02 2.61 3.41 -1.26 -1.64 113.62 116.74 3dmj n SER 513 Ca 0.00 -1.02 -0.01 0.00 -0.26 0.00 0.00 58.87 57.58 3dmj n SER 513 Cb 0.00 0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 3dmj n SER 513 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3dmj n GLU 514 N -0.01 0.62 -2.93 4.33 0.28 -0.99 -4.85 120.64 117.09 3dmj n GLU 514 Ca -0.00 0.21 -0.40 0.00 -0.16 0.00 0.00 57.16 56.80 3dmj n GLU 514 Cb 0.01 -1.79 -0.04 0.00 1.43 0.00 0.00 31.44 31.04 3dmj n GLU 514 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3dmj s SER 515 N -5.75 7.18 0.22 -1.84 0.15 -1.26 -4.95 113.70 107.45 3dmj s SER 515 Ca -0.03 1.41 -0.07 0.00 0.70 0.00 0.00 55.95 57.96 3dmj s SER 515 Cb 0.09 -2.48 0.19 0.00 -1.71 0.00 0.00 66.02 62.11 3dmj s SER 515 CO 0.81 -0.11 1.82 -0.08 1.20 0.00 0.00 173.24 176.88 3dmj h GLU 516 N 6.39 1.24 0.35 5.44 4.57 -1.99 -0.87 114.58 129.72 3dmj h GLU 516 Ca -0.42 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 57.57 3dmj h GLU 516 Cb 1.21 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 3dmj h GLU 516 CO 0.74 0.95 -0.32 1.25 -1.18 0.00 0.00 179.01 180.44 3dmj h LEU 517 N 1.22 -0.85 -0.77 1.64 6.46 -1.99 0.13 115.31 121.15 3dmj h LEU 517 Ca 0.29 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 58.19 3dmj h LEU 517 Cb 0.12 0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 40.27 3dmj h LEU 517 CO -0.04 -0.46 0.45 0.58 -0.62 0.00 0.00 178.44 178.35 3dmj h VAL 518 N -0.69 0.98 -0.88 1.05 2.07 -1.92 0.74 116.25 117.59 3dmj h VAL 518 Ca -0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3dmj h VAL 518 Cb 0.62 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3dmj h VAL 518 CO -0.04 0.15 0.51 0.78 0.02 0.00 0.00 177.57 178.99 3dmj h ASN 519 N 0.81 1.08 -0.25 0.57 -0.26 -0.70 0.28 115.58 117.10 3dmj h ASN 519 Ca 0.35 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 56.00 3dmj h ASN 519 Cb 0.22 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 3dmj h ASN 519 CO -0.19 0.85 0.12 1.56 -1.06 0.00 0.00 177.43 178.70 3dmj h GLN 520 N 1.22 0.35 -0.98 0.81 4.20 0.77 -1.83 115.11 119.66 3dmj h GLN 520 Ca 0.31 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 59.00 3dmj h GLN 520 Cb -0.02 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 3dmj h GLN 520 CO -0.06 0.35 0.65 0.82 -0.67 0.00 0.00 178.83 179.92 3dmj h ILE 521 N 0.27 1.20 -0.52 2.54 2.04 -0.26 -1.73 117.51 121.06 3dmj h ILE 521 Ca 0.09 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3dmj h ILE 521 Cb 0.11 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 3dmj h ILE 521 CO -0.01 0.23 0.22 0.40 0.00 0.00 0.00 178.15 179.00 3dmj h ILE 522 N 1.28 1.21 -0.34 -0.67 2.04 -0.08 0.64 117.51 121.59 3dmj h ILE 522 Ca 0.38 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3dmj h ILE 522 Cb -0.06 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3dmj h ILE 522 CO -0.10 0.24 0.10 -0.33 0.00 0.00 0.00 178.15 178.05 3dmj h GLU 523 N 0.70 0.22 0.12 2.37 4.39 -0.64 0.30 114.58 122.04 3dmj h GLU 523 Ca 0.18 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 3dmj h GLU 523 Cb 0.17 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3dmj h GLU 523 CO -0.02 0.15 -0.09 1.96 -1.16 0.00 0.00 179.01 179.85 3dmj h GLN 524 N 0.23 -0.21 -0.23 2.33 1.08 -0.79 -1.62 115.11 115.89 3dmj h GLN 524 Ca 0.15 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.43 3dmj h GLN 524 Cb 0.15 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.55 3dmj h GLN 524 CO -0.18 -0.14 -0.28 -0.07 -0.95 0.00 0.00 178.83 177.21 3dmj h LEU 525 N -0.22 -0.88 -0.69 1.46 3.38 0.98 -1.81 115.31 117.53 3dmj h LEU 525 Ca -0.01 0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.23 3dmj h LEU 525 Cb 0.20 0.40 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 3dmj h LEU 525 CO -0.00 -0.31 0.26 0.40 0.09 0.00 0.00 178.44 178.88 3dmj h ILE 526 N -0.29 0.70 -0.85 1.22 2.04 -0.21 -2.72 117.51 117.40 3dmj h ILE 526 Ca 0.13 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3dmj h ILE 526 Cb 0.50 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3dmj h ILE 526 CO -0.40 0.08 0.50 0.11 0.00 0.00 0.00 178.15 178.44 3dmj h LYS 527 N 0.42 1.16 -7.28 2.37 1.57 -0.45 -3.45 116.57 110.91 3dmj h LYS 527 Ca 0.37 -0.11 -0.52 0.00 -1.87 0.00 0.00 60.65 58.52 3dmj h LYS 527 Cb 0.52 -0.24 0.18 0.00 0.08 0.00 0.00 32.23 32.77 3dmj h LYS 527 CO -0.37 0.82 0.25 0.15 -0.57 0.00 0.00 179.45 179.73 3dmj s LYS 528 N -5.84 1.29 -0.05 3.15 -0.14 -0.97 -4.96 119.74 112.22 3dmj s LYS 528 Ca -0.12 1.49 0.16 0.00 -1.36 0.00 0.00 55.97 56.14 3dmj s LYS 528 Cb 0.17 -1.76 -0.21 0.00 -1.68 0.00 0.00 37.83 34.35 3dmj s LYS 528 CO 0.81 -2.42 0.55 0.39 -0.76 0.00 0.00 175.35 173.92 3dmj n GLU 529 N -4.05 0.65 -3.62 1.68 1.02 0.15 -4.89 120.64 111.57 3dmj n GLU 529 Ca 0.11 0.15 -0.05 0.00 -0.02 0.00 0.00 57.16 57.35 3dmj n GLU 529 Cb 0.52 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 30.17 3dmj n GLU 529 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3dmj s LYS 530 N -2.77 0.42 -0.03 3.49 1.02 -0.47 -5.01 119.74 116.40 3dmj s LYS 530 Ca -0.06 1.16 0.03 0.00 0.02 0.00 0.00 55.97 57.12 3dmj s LYS 530 Cb 0.08 0.49 0.00 0.00 -0.52 0.00 0.00 37.83 37.89 3dmj s LYS 530 CO 0.83 -0.27 -0.10 0.08 -0.92 0.00 0.00 175.35 174.97 3dmj s VAL 531 N 2.72 0.88 -0.11 3.17 1.01 -1.26 -1.47 120.40 125.34 3dmj s VAL 531 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3dmj s VAL 531 Cb -0.12 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.50 3dmj s VAL 531 CO -0.15 0.27 -0.12 -0.47 0.00 0.00 0.00 175.10 174.63 3dmj s TYR 532 N 0.18 1.77 -0.20 5.22 5.04 -0.76 -0.68 117.35 127.92 3dmj s TYR 532 Ca -0.03 -0.85 -0.05 0.00 -2.44 0.00 0.00 57.07 53.69 3dmj s TYR 532 Cb -0.09 -1.33 -0.03 0.00 0.35 0.00 0.00 41.96 40.86 3dmj s TYR 532 CO 0.01 -0.49 0.01 -0.51 -1.34 0.00 0.00 175.55 173.23 3dmj s LEU 533 N 1.24 3.32 0.03 6.97 1.43 -1.26 -0.52 118.68 129.90 3dmj s LEU 533 Ca -0.02 -0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.00 3dmj s LEU 533 Cb -0.14 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3dmj s LEU 533 CO -0.04 0.07 -0.26 0.00 0.23 0.00 0.00 176.35 176.35 3dmj s ALA 534 N 0.94 2.23 -0.04 4.21 0.00 0.25 -4.98 121.76 124.37 3dmj s ALA 534 Ca 0.02 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.79 3dmj s ALA 534 Cb -0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 3dmj s ALA 534 CO 0.02 0.53 -0.22 -0.46 0.00 0.00 0.00 175.76 175.63 3dmj s TRP 535 N -0.77 2.48 0.01 0.00 -0.00 -1.26 -1.72 118.94 117.67 3dmj s TRP 535 Ca 0.11 -0.39 0.00 0.00 -0.00 0.00 0.00 56.10 55.83 3dmj s TRP 535 Cb -0.10 -1.56 -0.01 0.00 -0.00 0.00 0.00 33.47 31.80 3dmj s TRP 535 CO 0.02 0.00 -0.02 0.14 -0.00 0.00 0.00 176.95 177.09 3dmj s VAL 536 N -0.56 0.15 0.31 5.86 -7.23 -0.91 -4.98 120.40 113.04 3dmj s VAL 536 Ca 0.08 -0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 59.61 3dmj s VAL 536 Cb -0.11 -0.19 -0.13 0.00 0.56 0.00 0.00 36.38 36.52 3dmj s VAL 536 CO 0.00 -0.13 1.21 -2.65 -0.31 0.00 0.00 175.10 173.22 3dmj n PRO 537 N 2.56 1.86 -2.12 4.82 -0.02 -1.26 -4.03 135.00 136.81 3dmj n PRO 537 Ca -0.16 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 3dmj n PRO 537 Cb 0.58 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3dmj n PRO 537 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dmj s ALA 538 N -0.95 3.52 0.00 3.55 0.00 -1.26 -4.95 121.76 121.67 3dmj s ALA 538 Ca 0.58 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.79 3dmj s ALA 538 Cb -0.62 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.01 3dmj s ALA 538 CO 0.60 -0.63 0.00 0.72 0.00 0.00 0.00 175.76 176.45