#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jsm s ILE 2 N 0.00 3.21 0.09 4.25 2.07 -1.26 -4.43 121.20 125.13 3jsm s ILE 2 Ca 0.00 -0.62 -0.22 0.00 -1.41 0.00 0.00 60.65 58.40 3jsm s ILE 2 Cb 0.00 -2.34 -0.07 0.00 0.13 0.00 0.00 42.46 40.18 3jsm s ILE 2 CO 0.00 0.54 0.65 -0.55 -1.91 0.00 0.00 174.94 173.67 3jsm s SER 3 N 0.08 7.17 0.00 4.50 0.15 0.47 -4.74 113.70 121.32 3jsm s SER 3 Ca -0.05 1.38 0.20 0.00 0.70 0.00 0.00 55.95 58.19 3jsm s SER 3 Cb -0.14 -2.41 1.12 0.00 -1.71 0.00 0.00 66.02 62.87 3jsm s SER 3 CO 0.04 0.21 1.59 -0.81 1.20 0.00 0.00 173.24 175.48 3jsm n PRO 4 N 1.89 0.50 -1.40 5.44 -0.04 -1.26 -4.58 135.00 135.55 3jsm n PRO 4 Ca -0.08 0.04 -0.36 0.00 -0.04 0.00 0.00 63.50 63.06 3jsm n PRO 4 Cb 0.50 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.54 3jsm n PRO 4 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3jsm n ILE 5 N -1.11 2.83 -1.96 0.52 3.06 -1.26 -4.85 119.36 116.59 3jsm n ILE 5 Ca 0.13 -0.41 -0.42 0.00 -2.50 0.00 0.00 62.75 59.55 3jsm n ILE 5 Cb 0.10 -1.03 -0.03 0.00 0.54 0.00 0.00 39.64 39.22 3jsm n ILE 5 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3jsm s GLU 6 N -3.08 4.22 0.43 9.51 2.02 -1.26 -4.89 118.70 125.65 3jsm s GLU 6 Ca 0.72 2.31 -0.25 0.00 0.02 0.00 0.00 54.97 57.78 3jsm s GLU 6 Cb -0.36 -3.37 -0.08 0.00 0.10 0.00 0.00 34.13 30.41 3jsm s GLU 6 CO 0.51 -0.65 1.23 -0.08 0.02 0.00 0.00 175.26 176.29 3jsm s THR 7 N 1.85 2.86 -0.03 3.63 -1.32 -1.26 -5.00 115.64 116.37 3jsm s THR 7 Ca 0.71 0.71 -0.21 0.00 -1.21 0.00 0.00 61.69 61.69 3jsm s THR 7 Cb -0.41 -3.40 -0.05 0.00 -1.51 0.00 0.00 72.50 67.14 3jsm s THR 7 CO 0.31 0.06 0.63 -0.69 -2.21 0.00 0.00 174.62 172.72 3jsm s VAL 8 N -1.38 4.96 0.06 5.08 1.01 -1.26 -4.94 120.40 123.93 3jsm s VAL 8 Ca 0.60 1.31 -0.31 0.00 0.00 0.00 0.00 61.98 63.58 3jsm s VAL 8 Cb -0.34 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 3jsm s VAL 8 CO 0.42 0.35 1.40 -2.84 0.00 0.00 0.00 175.10 174.44 3jsm s PRO 9 N 0.20 4.30 -0.04 2.72 0.02 -1.26 -4.18 135.00 136.75 3jsm s PRO 9 Ca 0.33 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3jsm s PRO 9 Cb -0.18 -3.42 0.02 0.00 0.02 0.00 0.00 34.50 30.94 3jsm s PRO 9 CO 0.17 -0.51 -0.06 0.08 -0.33 0.00 0.00 177.00 176.36 3jsm s VAL 10 N 1.76 0.62 0.45 3.83 1.01 -1.26 -5.11 120.40 121.70 3jsm s VAL 10 Ca 0.65 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.51 3jsm s VAL 10 Cb -0.34 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 3jsm s VAL 10 CO 0.29 0.24 0.33 -0.54 0.00 0.00 0.00 175.10 175.42 3jsm s LYS 11 N 0.78 2.37 0.21 2.72 1.02 -1.26 -4.72 119.74 120.86 3jsm s LYS 11 Ca -0.11 -1.76 0.08 0.00 0.02 0.00 0.00 55.97 54.19 3jsm s LYS 11 Cb -0.14 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 3jsm s LYS 11 CO 0.01 -0.30 0.05 -0.51 -0.92 0.00 0.00 175.35 173.67 3jsm s LEU 12 N -4.12 3.42 0.10 3.17 1.43 -1.26 -2.85 118.68 118.57 3jsm s LEU 12 Ca 0.42 -0.40 -0.34 0.00 -1.03 0.00 0.00 54.13 52.78 3jsm s LEU 12 Cb -0.01 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.06 3jsm s LEU 12 CO 0.25 0.04 1.63 0.29 0.23 0.00 0.00 176.35 178.80 3jsm n LYS 13 N -0.51 2.09 -0.77 1.70 4.76 0.15 -4.69 118.16 120.89 3jsm n LYS 13 Ca -0.08 0.76 -0.30 0.00 -2.87 0.00 0.00 58.31 55.81 3jsm n LYS 13 Cb 0.56 -2.53 -0.04 0.00 -1.84 0.00 0.00 35.03 31.18 3jsm n LYS 13 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3jsm n PRO 14 N 4.12 0.00 -2.46 1.97 -0.02 -1.26 -1.69 135.00 135.67 3jsm n PRO 14 Ca 0.18 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.46 3jsm n PRO 14 Cb 0.28 -0.76 -0.01 0.00 -0.02 0.00 0.00 33.50 33.00 3jsm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jsm n GLY 15 N 0.88 -0.50 3.55 -1.23 0.00 -1.26 -5.00 105.19 101.62 3jsm n GLY 15 Ca 0.11 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3jsm n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jsm s MET 16 N -5.11 1.97 0.52 1.61 -1.94 -0.68 -5.14 119.30 110.54 3jsm s MET 16 Ca 0.03 -1.49 0.06 0.00 -1.71 0.00 0.00 55.69 52.58 3jsm s MET 16 Cb -0.01 -2.01 0.03 0.00 2.01 0.00 0.00 34.83 34.85 3jsm s MET 16 CO 0.03 0.38 0.43 0.34 -0.01 0.00 0.00 175.02 176.19 3jsm s ASP 17 N -3.30 4.73 0.91 3.03 -1.08 -1.26 -4.90 116.67 114.80 3jsm s ASP 17 Ca 0.28 -1.12 -0.13 0.00 -0.52 0.00 0.00 52.55 51.05 3jsm s ASP 17 Cb -0.07 0.22 0.14 0.00 -1.46 0.00 0.00 42.92 41.76 3jsm s ASP 17 CO 0.16 -1.04 1.18 -0.83 0.52 0.00 0.00 175.17 175.16 3jsm s GLY 18 N -4.29 1.62 0.48 2.66 0.00 -1.26 -4.95 107.32 101.58 3jsm s GLY 18 Ca 0.39 -0.72 -0.20 0.00 0.00 0.00 0.00 44.72 44.19 3jsm s GLY 18 CO 0.24 -0.12 1.03 2.56 0.00 0.00 0.00 173.10 176.81 3jsm s PRO 19 N -5.49 3.84 -0.18 2.90 0.04 -1.26 -5.00 135.00 129.85 3jsm s PRO 19 Ca 0.66 1.31 0.20 0.00 0.04 0.00 0.00 61.00 63.21 3jsm s PRO 19 Cb -0.11 -2.10 0.43 0.00 0.04 0.00 0.00 34.50 32.75 3jsm s PRO 19 CO 0.52 -0.39 1.18 1.63 0.04 0.00 0.00 177.00 179.98 3jsm n LYS 20 N -0.99 1.06 -2.94 4.56 5.02 -1.22 -1.85 118.16 121.80 3jsm n LYS 20 Ca 0.09 -2.54 -0.32 0.00 -2.02 0.00 0.00 58.31 53.52 3jsm n LYS 20 Cb 0.53 -0.69 -0.05 0.00 -0.02 0.00 0.00 35.03 34.80 3jsm n LYS 20 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jsm s VAL 21 N -1.85 4.67 0.45 -0.18 0.11 -0.45 -4.77 120.40 118.38 3jsm s VAL 21 Ca 0.24 0.92 -0.06 0.00 -2.93 0.00 0.00 61.98 60.16 3jsm s VAL 21 Cb 0.33 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 3jsm s VAL 21 CO -0.09 -0.36 0.75 -0.75 -3.33 0.00 0.00 175.10 171.33 3jsm s LYS 22 N -3.39 3.58 -0.93 1.54 2.20 -1.26 -3.79 119.74 117.69 3jsm s LYS 22 Ca 0.54 0.20 -0.24 0.00 -0.36 0.00 0.00 55.97 56.11 3jsm s LYS 22 Cb -0.10 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.82 3jsm s LYS 22 CO 0.23 -0.13 1.59 -1.14 -0.36 0.00 0.00 175.35 175.53 3jsm s GLN 23 N -4.50 3.21 0.22 4.03 2.00 -1.26 -4.48 119.66 118.87 3jsm s GLN 23 Ca 0.47 -0.70 -0.32 0.00 -2.00 0.00 0.00 55.36 52.82 3jsm s GLN 23 Cb -0.10 -5.09 -0.13 0.00 0.80 0.00 0.00 33.01 28.49 3jsm s GLN 23 CO 0.41 -2.55 1.56 -2.67 -0.50 0.00 0.00 175.29 171.55 3jsm n TRP 24 N 10.54 2.46 -1.19 1.67 4.27 -1.26 -4.84 117.44 129.09 3jsm n TRP 24 Ca 0.31 0.27 -0.39 0.00 -3.89 0.00 0.00 57.50 53.80 3jsm n TRP 24 Cb 0.50 -2.56 -0.01 0.00 -1.36 0.00 0.00 31.31 27.88 3jsm n TRP 24 CO 0.00 0.00 0.00 -2.30 -2.29 0.00 0.00 177.69 173.10 3jsm n PRO 25 N 2.84 0.00 -4.20 -2.67 -0.02 -1.26 -4.95 135.00 124.74 3jsm n PRO 25 Ca 0.13 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.46 3jsm n PRO 25 Cb 0.32 -0.91 -0.11 0.00 -0.02 0.00 0.00 33.50 32.79 3jsm n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jsm s LEU 26 N 3.73 2.41 1.19 2.45 1.43 -1.26 -5.15 118.68 123.47 3jsm s LEU 26 Ca 0.54 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 3jsm s LEU 26 Cb -0.63 -0.39 0.25 0.00 0.03 0.00 0.00 46.19 45.45 3jsm s LEU 26 CO 0.56 -0.22 0.67 0.35 0.23 0.00 0.00 176.35 177.94 3jsm n THR 27 N 0.54 0.00 0.67 5.49 -2.24 -1.26 -4.85 114.28 112.62 3jsm n THR 27 Ca -0.16 -0.41 0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3jsm n THR 27 Cb 0.57 -0.87 0.39 0.00 -2.10 0.00 0.00 70.33 68.32 3jsm n THR 27 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3jsm n GLU 28 N -4.13 0.23 -0.02 -0.78 2.13 -1.26 -3.00 120.64 113.82 3jsm n GLU 28 Ca 0.02 0.17 -0.07 0.00 0.66 0.00 0.00 57.16 57.94 3jsm n GLU 28 Cb 0.57 -1.75 -0.05 0.00 0.27 0.00 0.00 31.44 30.48 3jsm n GLU 28 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3jsm h GLU 29 N 0.00 -0.07 -0.14 5.31 4.81 -2.00 -3.05 114.58 119.44 3jsm h GLU 29 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3jsm h GLU 29 Cb 0.71 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 3jsm h GLU 29 CO 0.00 0.31 -0.08 0.87 -0.73 0.00 0.00 179.01 179.38 3jsm h LYS 30 N -0.99 -0.07 -0.71 1.92 1.57 -1.93 -1.91 116.57 114.45 3jsm h LYS 30 Ca -0.01 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3jsm h LYS 30 Cb 0.41 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.64 3jsm h LYS 30 CO 0.01 -0.05 0.20 0.82 -0.57 0.00 0.00 179.45 179.87 3jsm h ILE 31 N -0.08 0.59 -0.82 1.86 2.04 -1.68 0.23 117.51 119.65 3jsm h ILE 31 Ca 0.08 -0.11 0.17 0.00 1.00 0.00 0.00 64.86 66.00 3jsm h ILE 31 Cb 0.20 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 3jsm h ILE 31 CO -0.19 0.06 0.55 0.11 0.00 0.00 0.00 178.15 178.67 3jsm h LYS 32 N 0.32 0.44 0.05 2.37 1.57 -1.23 -1.57 116.57 118.52 3jsm h LYS 32 Ca 0.39 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.83 3jsm h LYS 32 Cb 0.63 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3jsm h LYS 32 CO -0.45 0.29 -1.73 0.00 -0.57 0.00 0.00 179.45 176.99 3jsm h ALA 33 N 1.63 0.58 -0.27 3.86 0.00 -0.48 -3.15 119.26 121.43 3jsm h ALA 33 Ca 0.41 -1.37 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 3jsm h ALA 33 Cb 0.93 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3jsm h ALA 33 CO -0.15 1.43 0.11 -0.07 0.00 0.00 0.00 179.25 180.57 3jsm h LEU 34 N 0.03 0.37 -1.73 0.00 4.07 -0.07 0.74 115.31 118.71 3jsm h LEU 34 Ca -0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 3jsm h LEU 34 Cb 2.01 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 43.65 3jsm h LEU 34 CO 0.10 0.42 -0.05 0.58 -1.08 0.00 0.00 178.44 178.41 3jsm h VAL 35 N 0.29 0.17 0.03 1.22 2.07 -1.47 0.46 116.25 119.01 3jsm h VAL 35 Ca 0.09 -0.53 -0.22 0.00 0.82 0.00 0.00 66.70 66.87 3jsm h VAL 35 Cb 0.17 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3jsm h VAL 35 CO -0.01 0.05 -0.98 -0.08 0.02 0.00 0.00 177.57 176.57 3jsm h GLU 36 N 0.00 0.16 0.00 1.57 4.81 -1.25 -2.86 114.58 117.01 3jsm h GLU 36 Ca -0.00 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 3jsm h GLU 36 Cb 0.44 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 3jsm h GLU 36 CO 0.01 1.02 -0.08 0.82 -0.73 0.00 0.00 179.01 180.04 3jsm h ILE 37 N 0.07 1.31 -0.76 2.32 2.04 0.14 -3.30 117.51 119.33 3jsm h ILE 37 Ca -0.06 -2.01 0.11 0.00 1.00 0.00 0.00 64.86 63.91 3jsm h ILE 37 Cb 1.67 2.50 -0.08 0.00 -0.74 0.00 0.00 36.82 40.17 3jsm h ILE 37 CO 0.15 0.44 0.37 0.00 0.00 0.00 0.00 178.15 179.11 3jsm h THR 39 N 0.59 0.84 -0.40 0.00 2.02 -1.64 0.73 112.91 115.04 3jsm h THR 39 Ca 0.39 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 67.23 3jsm h THR 39 Cb 0.48 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3jsm h THR 39 CO -0.31 0.11 -0.29 -0.08 0.37 0.00 0.00 175.52 175.31 3jsm h GLU 40 N 0.59 0.91 -0.52 6.66 4.57 -1.09 -1.21 114.58 124.50 3jsm h GLU 40 Ca 0.35 -0.44 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 3jsm h GLU 40 Cb 0.38 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3jsm h GLU 40 CO -0.27 1.09 0.04 0.52 -1.18 0.00 0.00 179.01 179.21 3jsm h MET 41 N 0.73 0.88 -0.12 1.92 2.86 0.78 -1.54 114.93 120.44 3jsm h MET 41 Ca 0.08 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 3jsm h MET 41 Cb 0.87 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 3jsm h MET 41 CO 0.08 0.89 -0.04 1.49 1.06 0.00 0.00 176.91 180.39 3jsm h GLU 42 N 0.75 0.24 -0.79 1.72 4.22 0.44 0.17 114.58 121.32 3jsm h GLU 42 Ca 0.15 -0.09 0.11 0.00 0.08 0.00 0.00 59.36 59.60 3jsm h GLU 42 Cb 0.46 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 3jsm h GLU 42 CO 0.02 0.55 0.52 -0.22 -2.18 0.00 0.00 179.01 177.69 3jsm h LYS 43 N -0.09 0.66 0.00 1.92 3.11 -1.16 -0.31 116.57 120.70 3jsm h LYS 43 Ca 0.03 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3jsm h LYS 43 Cb 0.46 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 3jsm h LYS 43 CO 0.01 0.44 -0.28 0.93 -2.81 0.00 0.00 179.45 177.73 3jsm h GLU 44 N 0.68 0.00 0.00 1.90 5.08 -1.05 -3.48 114.58 117.70 3jsm h GLU 44 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3jsm h GLU 44 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3jsm h GLU 44 CO -0.14 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.28 3jsm n GLY 45 N 1.22 0.73 0.25 -3.84 0.00 -0.12 -4.94 105.19 98.49 3jsm n GLY 45 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 3jsm n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jsm h LYS 46 N 4.32 0.00 -4.02 1.61 1.57 -1.34 -3.45 116.57 115.25 3jsm h LYS 46 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3jsm h LYS 46 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.18 3jsm h LYS 46 CO 0.00 0.00 -0.40 0.96 -0.57 0.00 0.00 179.45 179.44 3jsm s ILE 47 N -3.48 0.07 -0.02 1.86 -4.36 -1.22 -0.90 121.20 113.15 3jsm s ILE 47 Ca 0.03 -1.53 -0.04 0.00 -0.26 0.00 0.00 60.65 58.86 3jsm s ILE 47 Cb 0.08 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.87 3jsm s ILE 47 CO 0.58 -0.32 0.09 -0.44 0.24 0.00 0.00 174.94 175.09 3jsm s SER 48 N -2.99 -0.01 0.89 4.36 0.01 -0.85 -4.43 113.70 110.67 3jsm s SER 48 Ca 0.20 -0.02 -0.10 0.00 1.31 0.00 0.00 55.95 57.34 3jsm s SER 48 Cb 0.04 0.19 0.13 0.00 0.21 0.00 0.00 66.02 66.59 3jsm s SER 48 CO 0.01 -0.16 1.13 -0.54 0.41 0.00 0.00 173.24 174.08 3jsm s LYS 49 N -0.57 1.23 -0.01 12.44 1.02 -1.26 -1.14 119.74 131.46 3jsm s LYS 49 Ca -0.06 1.40 -0.09 0.00 0.02 0.00 0.00 55.97 57.24 3jsm s LYS 49 Cb -0.04 -1.76 0.01 0.00 -0.52 0.00 0.00 37.83 35.52 3jsm s LYS 49 CO 0.00 -2.44 0.19 0.96 -0.92 0.00 0.00 175.35 173.15 3jsm s ILE 50 N -2.71 0.07 0.00 2.17 -4.36 -0.15 -4.77 121.20 111.44 3jsm s ILE 50 Ca 0.65 -0.56 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 3jsm s ILE 50 Cb -0.21 -0.47 0.00 0.00 1.25 0.00 0.00 42.46 43.03 3jsm s ILE 50 CO 0.58 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 176.06 3jsm n GLY 51 N 1.55 1.61 0.33 6.27 0.00 -1.26 -4.64 105.19 109.05 3jsm n GLY 51 Ca -0.21 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 43.88 3jsm n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jsm h PRO 52 N 0.00 0.76 0.00 1.61 0.13 -2.02 -2.96 132.00 129.51 3jsm h PRO 52 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3jsm h PRO 52 Cb 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 30.96 3jsm h PRO 52 CO 0.00 0.50 0.26 1.05 -0.23 0.00 0.00 178.00 179.58 3jsm h GLU 53 N 0.78 0.00 -4.53 0.86 9.09 -2.04 -3.37 114.58 115.37 3jsm h GLU 53 Ca 0.23 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 58.92 3jsm h GLU 53 Cb -0.03 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 26.86 3jsm h GLU 53 CO -0.05 0.00 -0.25 1.21 0.05 0.00 0.00 179.01 179.97 3jsm s ASN 54 N -3.83 6.16 -0.03 3.06 3.84 -1.12 -4.97 114.94 118.06 3jsm s ASN 54 Ca -0.02 -1.11 0.02 0.00 0.21 0.00 0.00 52.86 51.96 3jsm s ASN 54 Cb 0.06 -2.21 0.10 0.00 -0.55 0.00 0.00 41.25 38.65 3jsm s ASN 54 CO 0.18 -0.67 0.69 -0.81 -2.79 0.00 0.00 177.10 173.70 3jsm n PRO 55 N 5.45 1.46 -4.38 0.43 -0.04 -1.26 -4.91 135.00 131.75 3jsm n PRO 55 Ca -0.10 -0.38 -0.19 0.00 -0.04 0.00 0.00 63.50 62.78 3jsm n PRO 55 Cb 0.45 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3jsm n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3jsm s TYR 56 N -1.27 1.79 -0.25 0.54 2.02 -1.26 -4.83 117.35 114.09 3jsm s TYR 56 Ca 0.07 -0.68 -0.27 0.00 -0.37 0.00 0.00 57.07 55.81 3jsm s TYR 56 Cb 0.05 -0.95 0.15 0.00 -0.40 0.00 0.00 41.96 40.81 3jsm s TYR 56 CO 0.02 0.26 1.18 1.21 -1.57 0.00 0.00 175.55 176.66 3jsm s ASN 57 N -3.37 -0.25 0.06 2.29 3.84 -0.77 -4.69 114.94 112.04 3jsm s ASN 57 Ca 0.26 0.39 0.04 0.00 0.21 0.00 0.00 52.86 53.77 3jsm s ASN 57 Cb 0.02 0.36 -0.03 0.00 -0.55 0.00 0.00 41.25 41.06 3jsm s ASN 57 CO 0.09 -0.15 -0.13 -0.89 -2.79 0.00 0.00 177.10 173.23 3jsm s THR 58 N -0.44 0.98 0.41 -5.21 2.01 0.08 -1.34 115.64 112.13 3jsm s THR 58 Ca 0.04 -1.18 -0.23 0.00 0.31 0.00 0.00 61.69 60.63 3jsm s THR 58 Cb -0.03 -0.95 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 3jsm s THR 58 CO -0.07 -0.21 1.01 -2.16 -0.69 0.00 0.00 174.62 172.51 3jsm s PRO 59 N -1.56 4.15 0.21 4.92 0.04 -1.26 -3.91 135.00 137.59 3jsm s PRO 59 Ca -0.03 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3jsm s PRO 59 Cb -0.09 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 3jsm s PRO 59 CO 0.02 -0.13 0.08 0.14 0.04 0.00 0.00 177.00 177.15 3jsm s VAL 60 N -1.82 0.36 0.00 -0.36 -7.23 -1.26 -0.99 120.40 109.10 3jsm s VAL 60 Ca 0.60 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 3jsm s VAL 60 Cb -0.18 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.35 3jsm s VAL 60 CO 0.23 -0.16 0.00 2.22 -0.31 0.00 0.00 175.10 177.07 3jsm n PHE 61 N -0.31 -0.25 -3.66 2.82 -1.74 -0.74 -4.94 117.46 108.64 3jsm n PHE 61 Ca -0.02 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.76 3jsm n PHE 61 Cb 0.65 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.60 3jsm n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3jsm s ALA 62 N -1.02 -0.93 0.19 1.98 0.00 -1.26 -1.54 121.76 119.18 3jsm s ALA 62 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.08 3jsm s ALA 62 Cb 0.00 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 3jsm s ALA 62 CO 0.00 -0.55 -0.03 0.42 0.00 0.00 0.00 175.76 175.60 3jsm s ILE 63 N -3.19 0.98 0.07 0.00 1.01 -0.91 -4.92 121.20 114.23 3jsm s ILE 63 Ca -0.01 -2.03 0.02 0.00 0.00 0.00 0.00 60.65 58.64 3jsm s ILE 63 Cb 0.01 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3jsm s ILE 63 CO -0.08 -0.48 0.11 -0.54 0.00 0.00 0.00 174.94 173.96 3jsm s LYS 64 N -3.85 3.03 0.34 2.79 -0.14 -1.26 -0.79 119.74 119.86 3jsm s LYS 64 Ca 0.24 -0.62 0.07 0.00 -1.36 0.00 0.00 55.97 54.30 3jsm s LYS 64 Cb 0.05 -2.81 -0.02 0.00 -1.68 0.00 0.00 37.83 33.37 3jsm s LYS 64 CO 0.05 0.58 0.33 1.03 -0.76 0.00 0.00 175.35 176.58 3jsm s ARG 65 N -2.41 2.78 -0.13 1.68 0.52 -1.10 -4.92 118.95 115.37 3jsm s ARG 65 Ca 0.31 -1.26 -0.36 0.00 -0.52 0.00 0.00 55.73 53.90 3jsm s ARG 65 Cb -0.12 -2.53 -0.13 0.00 0.52 0.00 0.00 34.95 32.69 3jsm s ARG 65 CO 0.23 0.07 1.83 1.63 0.02 0.00 0.00 175.30 179.08 3jsm n LYS 66 N -1.43 1.87 -4.03 3.54 4.76 -1.26 -2.15 118.16 119.46 3jsm n LYS 66 Ca -0.01 0.69 -0.45 0.00 -2.87 0.00 0.00 58.31 55.66 3jsm n LYS 66 Cb 0.60 -2.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.33 3jsm n LYS 66 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3jsm n ASP 67 N 6.11 -4.29 -3.78 4.39 2.03 -1.26 -4.96 116.55 114.79 3jsm n ASP 67 Ca 0.23 -1.27 -0.14 0.00 0.52 0.00 0.00 54.79 54.13 3jsm n ASP 67 Cb 0.25 -1.87 -0.15 0.00 -0.72 0.00 0.00 41.12 38.62 3jsm n ASP 67 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3jsm s SER 68 N -3.52 0.01 0.04 1.67 0.01 -0.91 -4.92 113.70 106.08 3jsm s SER 68 Ca 0.50 0.11 0.13 0.00 1.31 0.00 0.00 55.95 58.00 3jsm s SER 68 Cb -0.26 0.02 0.55 0.00 0.21 0.00 0.00 66.02 66.54 3jsm s SER 68 CO 0.96 -0.12 1.40 0.41 0.41 0.00 0.00 173.24 176.30 3jsm n THR 69 N 4.04 1.19 -2.89 1.44 -1.04 -1.26 -4.44 114.28 111.33 3jsm n THR 69 Ca -0.26 0.32 -0.38 0.00 -2.04 0.00 0.00 64.05 61.69 3jsm n THR 69 Cb 0.52 -1.15 -0.06 0.00 -1.82 0.00 0.00 70.33 67.81 3jsm n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3jsm s LYS 70 N -3.06 4.58 0.39 -2.82 2.20 -1.26 -5.04 119.74 114.73 3jsm s LYS 70 Ca 0.05 1.23 0.08 0.00 -0.36 0.00 0.00 55.97 56.97 3jsm s LYS 70 Cb 0.07 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 3jsm s LYS 70 CO 0.22 0.43 0.26 -1.58 -0.36 0.00 0.00 175.35 174.32 3jsm s TRP 71 N -1.38 2.69 -0.20 4.03 0.52 -1.26 -2.72 118.94 120.62 3jsm s TRP 71 Ca 0.43 -0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.07 3jsm s TRP 71 Cb -0.21 -1.96 0.05 0.00 -1.15 0.00 0.00 33.47 30.20 3jsm s TRP 71 CO 0.26 0.10 -0.06 0.50 0.02 0.00 0.00 176.95 177.76 3jsm s ARG 72 N -3.99 1.63 -0.20 4.98 3.52 0.03 -4.93 118.95 120.00 3jsm s ARG 72 Ca 0.43 -0.74 -0.27 0.00 -0.13 0.00 0.00 55.73 55.02 3jsm s ARG 72 Cb -0.01 -2.29 -0.00 0.00 -1.56 0.00 0.00 34.95 31.09 3jsm s ARG 72 CO 0.25 -0.48 0.94 0.21 -0.81 0.00 0.00 175.30 175.41 3jsm s LYS 73 N 1.51 4.28 0.31 5.12 2.20 -1.26 -2.15 119.74 129.74 3jsm s LYS 73 Ca -0.02 1.19 0.10 0.00 -0.36 0.00 0.00 55.97 56.88 3jsm s LYS 73 Cb -0.17 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3jsm s LYS 73 CO -0.07 -0.49 -0.04 -0.51 -0.36 0.00 0.00 175.35 173.88 3jsm s LEU 74 N 2.69 2.94 -0.04 5.43 1.43 -0.59 -4.63 118.68 125.92 3jsm s LEU 74 Ca 0.41 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3jsm s LEU 74 Cb -0.16 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3jsm s LEU 74 CO 0.10 -0.11 -0.07 -0.69 0.23 0.00 0.00 176.35 175.81 3jsm s VAL 75 N -2.47 0.65 -1.52 -1.59 1.01 -0.89 -1.79 120.40 113.80 3jsm s VAL 75 Ca 0.33 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 3jsm s VAL 75 Cb -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3jsm s VAL 75 CO 0.18 0.23 2.63 -0.67 0.00 0.00 0.00 175.10 177.48 3jsm n ASP 76 N 3.71 7.26 -0.80 3.32 2.03 -0.16 -4.56 116.55 127.35 3jsm n ASP 76 Ca -0.22 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.33 3jsm n ASP 76 Cb 0.52 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 3jsm n ASP 76 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3jsm n PHE 77 N 3.91 0.00 -0.35 -0.67 3.01 -1.26 -4.24 117.46 117.86 3jsm n PHE 77 Ca 0.67 -0.21 0.11 0.00 1.01 0.00 0.00 57.45 59.04 3jsm n PHE 77 Cb 0.28 -0.15 0.30 0.00 -0.01 0.00 0.00 39.48 39.89 3jsm n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3jsm h ARG 78 N 0.49 0.79 0.30 -1.08 3.08 -1.85 -1.27 114.38 114.84 3jsm h ARG 78 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3jsm h ARG 78 Cb 0.56 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3jsm h ARG 78 CO 0.00 0.52 -0.15 1.49 -1.07 0.00 0.00 179.97 180.77 3jsm h GLU 79 N 0.81 -0.39 -0.66 0.04 4.22 -2.00 -3.28 114.58 113.32 3jsm h GLU 79 Ca 0.55 0.03 0.14 0.00 0.08 0.00 0.00 59.36 60.16 3jsm h GLU 79 Cb 0.79 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 30.02 3jsm h GLU 79 CO -0.35 -0.06 0.04 1.25 -2.18 0.00 0.00 179.01 177.71 3jsm h LEU 80 N -0.93 -0.21 -0.87 1.64 5.85 -1.83 -2.17 115.31 116.80 3jsm h LEU 80 Ca -0.04 0.15 0.21 0.00 0.84 0.00 0.00 57.88 59.04 3jsm h LEU 80 Cb 0.51 0.26 -0.16 0.00 0.37 0.00 0.00 40.66 41.64 3jsm h LEU 80 CO 0.07 -0.10 -0.03 0.78 -0.34 0.00 0.00 178.44 178.82 3jsm h ASN 81 N 0.15 -0.48 -0.27 1.25 2.35 -1.30 0.20 115.58 117.48 3jsm h ASN 81 Ca 0.35 0.24 0.01 0.00 -0.55 0.00 0.00 56.30 56.35 3jsm h ASN 81 Cb 0.58 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 39.37 3jsm h ASN 81 CO -0.53 -0.26 0.17 0.11 -1.65 0.00 0.00 177.43 175.26 3jsm h LYS 82 N 0.05 0.33 0.00 0.81 1.57 -1.47 -2.30 116.57 115.56 3jsm h LYS 82 Ca 0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3jsm h LYS 82 Cb 0.90 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3jsm h LYS 82 CO -0.81 0.22 0.00 0.54 -0.57 0.00 0.00 179.45 178.83 3jsm n ARG 83 N -4.92 0.10 -2.86 3.15 1.74 0.41 -4.81 116.66 109.47 3jsm n ARG 83 Ca -0.02 0.24 -0.31 0.00 -0.77 0.00 0.00 57.85 56.99 3jsm n ARG 83 Cb 0.04 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 29.78 3jsm n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3jsm s THR 84 N -3.11 4.69 1.18 0.55 2.01 0.39 -0.68 115.64 120.67 3jsm s THR 84 Ca 0.08 0.86 -0.14 0.00 0.31 0.00 0.00 61.69 62.81 3jsm s THR 84 Cb 0.12 -3.69 0.29 0.00 0.01 0.00 0.00 72.50 69.23 3jsm s THR 84 CO 0.40 -0.44 1.03 0.00 -0.69 0.00 0.00 174.62 174.92 3jsm s GLN 85 N -3.60 -1.02 0.14 4.92 -2.07 -1.13 -4.40 119.66 112.50 3jsm s GLN 85 Ca 0.54 0.69 0.06 0.00 -1.82 0.00 0.00 55.36 54.83 3jsm s GLN 85 Cb -0.10 -1.55 -0.04 0.00 -1.09 0.00 0.00 33.01 30.23 3jsm s GLN 85 CO 0.26 -3.75 0.01 0.16 -1.32 0.00 0.00 175.29 170.65 3jsm s ASP 86 N -2.70 4.93 0.54 12.60 1.47 -1.26 -4.96 116.67 127.29 3jsm s ASP 86 Ca 0.68 -0.28 0.05 0.00 1.18 0.00 0.00 52.55 54.18 3jsm s ASP 86 Cb -0.23 -1.12 0.04 0.00 -0.34 0.00 0.00 42.92 41.27 3jsm s ASP 86 CO 0.63 0.13 0.39 -0.36 0.68 0.00 0.00 175.17 176.64 3jsm s PHE 87 N -1.53 1.62 -0.40 2.11 0.40 -1.26 -5.09 117.98 113.82 3jsm s PHE 87 Ca 0.27 -0.85 -0.06 0.00 -0.60 0.00 0.00 56.93 55.68 3jsm s PHE 87 Cb -0.10 -1.90 0.09 0.00 0.51 0.00 0.00 43.02 41.62 3jsm s PHE 87 CO 0.19 -0.45 0.22 -0.46 0.70 0.00 0.00 175.22 175.41 3jsm s TRP 88 N -2.78 3.40 -0.16 0.36 -0.11 -1.26 -5.04 118.94 113.36 3jsm s TRP 88 Ca 0.32 -1.84 -0.37 0.00 1.22 0.00 0.00 56.10 55.43 3jsm s TRP 88 Cb -0.02 -2.96 -0.14 0.00 -1.50 0.00 0.00 33.47 28.85 3jsm s TRP 88 CO 0.20 -0.89 1.79 0.39 -4.62 0.00 0.00 176.95 173.82 3jsm n GLU 89 N 4.79 1.68 0.08 5.86 4.71 -1.26 -4.86 120.64 131.65 3jsm n GLU 89 Ca -0.08 0.62 0.12 0.00 -0.01 0.00 0.00 57.16 57.80 3jsm n GLU 89 Cb 0.42 -2.38 0.11 0.00 -1.01 0.00 0.00 31.44 28.59 3jsm n GLU 89 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 3jsm h VAL 90 N 5.20 0.00 -3.43 2.62 3.04 -1.96 -3.44 116.25 118.27 3jsm h VAL 90 Ca -0.47 -0.67 -0.57 0.00 -1.01 0.00 0.00 66.70 63.98 3jsm h VAL 90 Cb 1.29 1.23 -0.06 0.00 -2.01 0.00 0.00 31.29 31.75 3jsm h VAL 90 CO 0.94 0.00 0.97 -1.58 -1.01 0.00 0.00 177.57 176.89 3jsm s GLN 91 N -3.23 3.76 0.00 4.17 2.00 -1.26 -4.91 119.66 120.19 3jsm s GLN 91 Ca 0.04 0.86 0.17 0.00 -2.00 0.00 0.00 55.36 54.43 3jsm s GLN 91 Cb 0.12 -3.91 0.55 0.00 0.80 0.00 0.00 33.01 30.56 3jsm s GLN 91 CO 0.74 -1.32 1.42 1.28 -0.50 0.00 0.00 175.29 176.91 3jsm n LEU 92 N 7.95 2.00 0.00 3.68 4.77 -1.26 -5.03 117.00 129.11 3jsm n LEU 92 Ca 0.14 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3jsm n LEU 92 Cb 0.48 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3jsm n LEU 92 CO 0.68 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3jsm n GLY 93 N 1.16 0.09 3.19 -0.72 0.00 -1.26 -5.14 105.19 102.51 3jsm n GLY 93 Ca 0.15 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 3jsm n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jsm s ILE 94 N -3.58 1.22 0.55 -0.61 1.01 -1.26 -5.14 121.20 113.39 3jsm s ILE 94 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 60.65 59.16 3jsm s ILE 94 Cb 0.00 -1.15 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 3jsm s ILE 94 CO 0.00 -0.18 1.03 -2.16 0.00 0.00 0.00 174.94 173.63 3jsm s PRO 95 N -1.72 3.61 -0.11 2.79 0.04 -1.26 -5.04 135.00 133.31 3jsm s PRO 95 Ca -0.00 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.21 3jsm s PRO 95 Cb -0.10 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.37 3jsm s PRO 95 CO 0.03 -0.56 -0.21 -1.58 0.04 0.00 0.00 177.00 174.72 3jsm s HIS 96 N -2.43 2.41 0.51 0.56 2.46 -1.26 -5.00 115.29 112.54 3jsm s HIS 96 Ca 0.63 -1.10 0.36 0.00 0.47 0.00 0.00 55.06 55.42 3jsm s HIS 96 Cb -0.14 -1.65 1.51 0.00 -0.13 0.00 0.00 32.58 32.18 3jsm s HIS 96 CO 0.32 -0.49 1.74 -1.00 -2.47 0.00 0.00 174.74 172.83 3jsm h PRO 97 N 7.08 0.06 -0.33 2.88 0.13 -1.96 0.76 132.00 140.63 3jsm h PRO 97 Ca -0.27 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3jsm h PRO 97 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3jsm h PRO 97 CO 0.51 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 3jsm n ALA 98 N -2.73 2.36 0.04 -0.56 0.00 -1.26 -2.18 120.51 116.19 3jsm n ALA 98 Ca 0.30 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.75 3jsm n ALA 98 Cb 1.36 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 3jsm n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jsm n GLY 99 N 0.26 0.42 3.77 0.00 0.00 0.27 -4.17 105.19 105.73 3jsm n GLY 99 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3jsm n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jsm s LEU 100 N -2.55 4.28 0.25 0.99 1.43 -0.93 -4.70 118.68 117.45 3jsm s LEU 100 Ca 0.00 2.59 -0.03 0.00 -1.03 0.00 0.00 54.13 55.66 3jsm s LEU 100 Cb 0.01 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 3jsm s LEU 100 CO 0.07 -0.71 0.48 -0.54 0.23 0.00 0.00 176.35 175.89 3jsm s LYS 101 N -2.11 3.59 0.12 1.70 1.02 -1.26 -1.65 119.74 121.15 3jsm s LYS 101 Ca 0.54 -0.14 -0.31 0.00 0.02 0.00 0.00 55.97 56.09 3jsm s LYS 101 Cb -0.37 -2.73 -0.10 0.00 -0.52 0.00 0.00 37.83 34.12 3jsm s LYS 101 CO 0.48 0.30 1.71 0.21 -0.92 0.00 0.00 175.35 177.12 3jsm s LYS 102 N -3.42 4.17 0.29 1.68 2.47 -1.25 -4.90 119.74 118.78 3jsm s LYS 102 Ca 0.42 2.45 0.09 0.00 -1.56 0.00 0.00 55.97 57.37 3jsm s LYS 102 Cb -0.11 -3.47 -0.04 0.00 -1.46 0.00 0.00 37.83 32.74 3jsm s LYS 102 CO 0.29 -0.75 0.02 0.15 0.16 0.00 0.00 175.35 175.22 3jsm s LYS 103 N 2.29 2.28 0.11 4.03 -0.14 -1.26 -5.03 119.74 122.01 3jsm s LYS 103 Ca 0.76 -1.48 0.10 0.00 -1.36 0.00 0.00 55.97 53.99 3jsm s LYS 103 Cb -0.43 -2.13 -0.16 0.00 -1.68 0.00 0.00 37.83 33.42 3jsm s LYS 103 CO 0.33 0.30 1.16 -0.22 -0.76 0.00 0.00 175.35 176.16 3jsm h LYS 104 N 1.83 0.00 -3.27 1.68 1.63 -1.60 -3.46 116.57 113.38 3jsm h LYS 104 Ca -0.44 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.13 3jsm h LYS 104 Cb 1.25 0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 32.58 3jsm h LYS 104 CO 0.61 0.77 -0.58 -1.12 -3.45 0.00 0.00 179.45 175.69 3jsm s SER 105 N -6.48 -0.13 0.02 4.20 0.01 0.12 -4.90 113.70 106.54 3jsm s SER 105 Ca 0.00 0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.63 3jsm s SER 105 Cb 0.09 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 3jsm s SER 105 CO 0.81 -0.13 -0.15 -0.69 0.41 0.00 0.00 173.24 173.50 3jsm s VAL 106 N 0.91 1.15 0.03 3.43 1.01 -1.26 -1.00 120.40 124.68 3jsm s VAL 106 Ca -0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3jsm s VAL 106 Cb -0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3jsm s VAL 106 CO -0.05 0.13 0.00 -0.89 0.00 0.00 0.00 175.10 174.29 3jsm s THR 107 N -0.66 0.15 -0.07 3.92 2.01 -0.40 -4.84 115.64 115.75 3jsm s THR 107 Ca 0.03 -1.25 -0.01 0.00 0.31 0.00 0.00 61.69 60.76 3jsm s THR 107 Cb -0.07 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.63 3jsm s THR 107 CO 0.01 -0.69 0.01 -0.69 -0.69 0.00 0.00 174.62 172.57 3jsm s VAL 108 N -2.56 0.30 0.24 3.82 1.01 -1.07 -0.28 120.40 121.87 3jsm s VAL 108 Ca -0.06 0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.18 3jsm s VAL 108 Cb -0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 3jsm s VAL 108 CO -0.05 0.24 -0.10 -0.76 0.00 0.00 0.00 175.10 174.43 3jsm s LEU 109 N 2.00 2.91 -0.11 3.92 1.43 0.11 -0.80 118.68 128.14 3jsm s LEU 109 Ca 0.05 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3jsm s LEU 109 Cb -0.12 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.66 3jsm s LEU 109 CO -0.05 0.05 0.07 -0.62 0.23 0.00 0.00 176.35 176.03 3jsm s ASP 110 N -3.35 1.80 0.35 2.29 -1.08 -1.26 -0.37 116.67 115.04 3jsm s ASP 110 Ca 0.29 -0.29 -0.28 0.00 -0.52 0.00 0.00 52.55 51.75 3jsm s ASP 110 Cb -0.07 -0.22 -0.10 0.00 -1.46 0.00 0.00 42.92 41.07 3jsm s ASP 110 CO 0.17 -0.30 1.35 -0.69 0.52 0.00 0.00 175.17 176.22 3jsm s VAL 111 N 2.13 2.55 0.07 1.11 1.01 -0.90 -4.33 120.40 122.05 3jsm s VAL 111 Ca 0.03 0.55 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 3jsm s VAL 111 Cb -0.14 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 3jsm s VAL 111 CO -0.06 0.12 0.46 -0.83 0.00 0.00 0.00 175.10 174.80 3jsm s GLY 112 N -0.45 2.46 -1.40 4.51 0.00 -0.05 -4.11 107.32 108.28 3jsm s GLY 112 Ca 0.51 -0.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.94 3jsm s GLY 112 CO 0.55 0.09 0.35 1.22 0.00 0.00 0.00 173.10 175.31 3jsm n ASP 113 N 1.25 -1.01 -0.00 1.64 8.00 -1.26 -4.60 116.55 120.56 3jsm n ASP 113 Ca -0.09 -1.16 -0.03 0.00 0.71 0.00 0.00 54.79 54.22 3jsm n ASP 113 Cb 0.52 -2.33 -0.02 0.00 -0.02 0.00 0.00 41.12 39.28 3jsm n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jsm h ALA 114 N 0.95 -0.51 -0.56 2.24 0.00 -1.97 -2.80 119.26 116.61 3jsm h ALA 114 Ca -0.66 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.34 3jsm h ALA 114 Cb 1.39 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 19.74 3jsm h ALA 114 CO 0.62 -0.54 0.13 1.88 0.00 0.00 0.00 179.25 181.34 3jsm h TYR 115 N -0.10 0.21 0.00 0.00 -1.99 -1.88 -1.22 116.97 112.00 3jsm h TYR 115 Ca 0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3jsm h TYR 115 Cb 0.11 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.84 3jsm h TYR 115 CO -0.46 -0.01 0.00 1.19 -0.00 0.00 0.00 178.16 178.88 3jsm n PHE 116 N -5.11 0.00 0.09 4.88 0.99 -1.08 -1.63 117.46 115.61 3jsm n PHE 116 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.56 3jsm n PHE 116 Cb 0.29 -0.02 -0.05 0.00 -1.00 0.00 0.00 39.48 38.69 3jsm n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3jsm n SER 117 N -0.09 2.46 -4.58 4.37 7.64 -0.46 -4.77 113.62 118.20 3jsm n SER 117 Ca 0.00 -0.19 -0.38 0.00 1.01 0.00 0.00 58.87 59.31 3jsm n SER 117 Cb 0.05 1.25 -0.11 0.00 -1.01 0.00 0.00 64.21 64.38 3jsm n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jsm s VAL 118 N -2.29 5.18 0.71 0.44 1.01 -0.65 -0.40 120.40 124.41 3jsm s VAL 118 Ca -0.01 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 3jsm s VAL 118 Cb 0.05 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3jsm s VAL 118 CO 0.31 0.27 1.25 -0.81 0.00 0.00 0.00 175.10 176.11 3jsm n PRO 119 N 5.00 0.76 -4.25 2.72 -0.04 -1.26 -1.15 135.00 136.77 3jsm n PRO 119 Ca -0.14 0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 63.29 3jsm n PRO 119 Cb 0.52 -2.48 -0.09 0.00 -0.04 0.00 0.00 33.50 31.41 3jsm n PRO 119 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3jsm s LEU 120 N -4.74 3.74 0.24 1.53 2.96 -0.66 -4.48 118.68 117.28 3jsm s LEU 120 Ca 0.79 0.19 -0.31 0.00 -0.22 0.00 0.00 54.13 54.58 3jsm s LEU 120 Cb -0.35 -1.88 -0.14 0.00 0.50 0.00 0.00 46.19 44.33 3jsm s LEU 120 CO 0.44 0.36 1.35 -0.90 -1.32 0.00 0.00 176.35 176.28 3jsm n ASP 121 N 2.30 2.54 -0.33 3.68 5.75 -1.26 -4.76 116.55 124.47 3jsm n ASP 121 Ca -0.19 1.15 0.25 0.00 -0.01 0.00 0.00 54.79 55.99 3jsm n ASP 121 Cb 0.54 -1.40 0.47 0.00 -1.03 0.00 0.00 41.12 39.70 3jsm n ASP 121 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3jsm h GLU 122 N 3.88 0.04 0.00 0.11 4.57 -1.96 -2.11 114.58 119.11 3jsm h GLU 122 Ca -0.45 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.68 3jsm h GLU 122 Cb 1.29 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3jsm h GLU 122 CO 0.73 0.02 -0.51 -0.44 -1.18 0.00 0.00 179.01 177.63 3jsm h ASP 123 N 0.04 0.00 1.15 1.04 3.32 -1.95 -3.32 116.42 116.69 3jsm h ASP 123 Ca 0.75 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.63 3jsm h ASP 123 Cb 1.84 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.36 3jsm h ASP 123 CO -0.80 0.21 -0.86 0.15 -1.72 0.00 0.00 179.24 176.21 3jsm h PHE 124 N 0.00 0.00 -1.15 4.55 3.57 -1.67 -3.36 116.94 118.88 3jsm h PHE 124 Ca -0.02 0.00 0.41 0.00 3.53 0.00 0.00 57.97 61.89 3jsm h PHE 124 Cb 1.18 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.77 3jsm h PHE 124 CO 0.00 0.80 0.69 0.00 -2.23 0.00 0.00 178.31 177.57 3jsm h ARG 125 N 0.00 0.09 -1.10 1.11 3.08 -1.64 -1.54 114.38 114.39 3jsm h ARG 125 Ca -0.03 -0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.32 3jsm h ARG 125 Cb 1.63 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.58 3jsm h ARG 125 CO 0.10 0.06 0.74 0.87 -1.07 0.00 0.00 179.97 180.67 3jsm h LYS 126 N 0.10 0.23 0.00 0.04 1.57 -1.82 -1.41 116.57 115.27 3jsm h LYS 126 Ca 0.82 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 59.43 3jsm h LYS 126 Cb 2.31 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.55 3jsm h LYS 126 CO -0.58 0.15 -0.75 1.88 -0.57 0.00 0.00 179.45 179.58 3jsm h TYR 127 N 0.24 0.00 0.00 -1.35 0.05 -1.59 -3.29 116.97 111.03 3jsm h TYR 127 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.38 3jsm h TYR 127 Cb 1.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.56 3jsm h TYR 127 CO -0.00 0.75 0.00 0.25 -1.05 0.00 0.00 178.16 178.11 3jsm n THR 128 N -3.31 0.00 -2.16 -2.88 -2.24 -0.53 -4.68 114.28 98.48 3jsm n THR 128 Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3jsm n THR 128 Cb 0.83 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 3jsm n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jsm s ALA 129 N -1.30 3.54 0.29 6.98 0.00 -1.24 -3.73 121.76 126.31 3jsm s ALA 129 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 3jsm s ALA 129 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 3jsm s ALA 129 CO 0.00 -0.58 0.33 -0.59 0.00 0.00 0.00 175.76 174.92 3jsm s PHE 130 N -0.20 1.19 -0.02 0.00 -0.71 -0.77 -0.74 117.98 116.74 3jsm s PHE 130 Ca 0.55 -1.35 0.01 0.00 -1.04 0.00 0.00 56.93 55.10 3jsm s PHE 130 Cb -0.38 -0.34 0.02 0.00 -1.21 0.00 0.00 43.02 41.10 3jsm s PHE 130 CO 0.42 -0.92 -0.01 0.99 -1.34 0.00 0.00 175.22 174.36 3jsm s THR 131 N -3.57 0.16 -0.39 -4.49 2.01 -1.25 -2.56 115.64 105.55 3jsm s THR 131 Ca 0.34 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.21 3jsm s THR 131 Cb 0.02 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.33 3jsm s THR 131 CO 0.19 0.10 0.36 -0.63 -0.69 0.00 0.00 174.62 173.95 3jsm s ILE 132 N 0.57 5.18 0.88 1.82 1.01 0.55 -4.77 121.20 126.44 3jsm s ILE 132 Ca -0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 3jsm s ILE 132 Cb -0.08 -3.92 0.09 0.00 0.01 0.00 0.00 42.46 38.56 3jsm s ILE 132 CO -0.01 -0.27 0.96 -2.65 0.00 0.00 0.00 174.94 172.97 3jsm n PRO 133 N 5.37 -0.16 -4.07 2.79 -0.02 -1.26 -1.67 135.00 135.97 3jsm n PRO 133 Ca -0.09 0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 3jsm n PRO 133 Cb 0.48 -2.24 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 3jsm n PRO 133 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3jsm s SER 134 N -2.25 5.91 -0.02 2.55 0.15 -1.26 -4.84 113.70 113.93 3jsm s SER 134 Ca 0.67 0.30 -0.08 0.00 0.70 0.00 0.00 55.95 57.54 3jsm s SER 134 Cb -0.25 -1.80 -0.30 0.00 -1.71 0.00 0.00 66.02 61.95 3jsm s SER 134 CO 0.58 0.36 0.77 -0.29 1.20 0.00 0.00 173.24 175.86 3jsm h ILE 135 N 3.80 1.05 0.00 6.45 6.09 -1.95 -3.16 117.51 129.79 3jsm h ILE 135 Ca -0.52 -2.64 0.00 0.00 -1.37 0.00 0.00 64.86 60.33 3jsm h ILE 135 Cb 1.21 2.78 0.00 0.00 0.47 0.00 0.00 36.82 41.28 3jsm h ILE 135 CO 0.58 0.84 0.00 -0.46 -3.07 0.00 0.00 178.15 176.04 3jsm n ASN 136 N -3.54 0.00 -4.15 2.19 0.23 -1.26 -4.78 115.26 103.95 3jsm n ASN 136 Ca -0.21 -0.42 -0.35 0.00 -0.53 0.00 0.00 54.58 53.07 3jsm n ASN 136 Cb 1.07 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.73 3jsm n ASN 136 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3jsm n ASN 137 N -0.61 -2.82 0.00 0.53 3.02 -1.19 -4.82 115.26 109.37 3jsm n ASN 137 Ca 0.01 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3jsm n ASN 137 Cb 0.01 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 3jsm n ASN 137 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3jsm n GLU 138 N -4.12 0.00 -1.57 3.52 0.28 -1.26 -5.06 120.64 112.42 3jsm n GLU 138 Ca 0.08 0.00 -0.53 0.00 -0.16 0.00 0.00 57.16 56.55 3jsm n GLU 138 Cb 0.48 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.29 3jsm n GLU 138 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3jsm n THR 139 N -1.55 0.03 -1.70 3.84 -1.04 -1.26 -4.82 114.28 107.78 3jsm n THR 139 Ca 0.00 -0.01 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 3jsm n THR 139 Cb 0.00 -0.66 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 3jsm n THR 139 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3jsm n PRO 140 N 2.30 2.57 -1.20 -2.82 -0.02 -1.26 -4.42 135.00 130.16 3jsm n PRO 140 Ca 0.19 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.23 3jsm n PRO 140 Cb 0.17 -2.76 0.04 0.00 -0.02 0.00 0.00 33.50 30.93 3jsm n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jsm n GLY 141 N 3.88 -2.73 3.74 -1.23 0.00 -1.26 -4.90 105.19 102.69 3jsm n GLY 141 Ca 0.17 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3jsm n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jsm s ILE 142 N -1.96 4.62 -0.13 -0.61 1.01 -0.67 -4.79 121.20 118.66 3jsm s ILE 142 Ca 0.57 1.82 -0.02 0.00 0.00 0.00 0.00 60.65 63.02 3jsm s ILE 142 Cb -0.36 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 3jsm s ILE 142 CO 0.66 0.35 -0.06 -0.13 0.00 0.00 0.00 174.94 175.76 3jsm s ARG 143 N -0.07 3.41 0.37 2.79 0.52 -1.26 -0.33 118.95 124.38 3jsm s ARG 143 Ca 0.42 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 55.13 3jsm s ARG 143 Cb -0.22 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 3jsm s ARG 143 CO 0.26 0.33 0.23 0.71 0.02 0.00 0.00 175.30 176.85 3jsm s TYR 144 N 0.09 1.78 0.03 -0.53 1.51 -1.06 -0.98 117.35 118.19 3jsm s TYR 144 Ca -0.02 -1.55 -0.13 0.00 -1.01 0.00 0.00 57.07 54.36 3jsm s TYR 144 Cb -0.14 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 3jsm s TYR 144 CO 0.03 -0.68 0.28 1.14 -1.11 0.00 0.00 175.55 175.22 3jsm s GLN 145 N -3.51 0.76 0.43 -0.62 -2.07 -0.29 -1.84 119.66 112.52 3jsm s GLN 145 Ca 0.34 -0.48 -0.22 0.00 -1.82 0.00 0.00 55.36 53.18 3jsm s GLN 145 Cb 0.02 0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 32.17 3jsm s GLN 145 CO 0.23 -0.24 1.01 0.71 -1.32 0.00 0.00 175.29 175.69 3jsm s TYR 146 N -2.36 3.22 0.00 9.60 1.51 -1.24 -2.01 117.35 126.06 3jsm s TYR 146 Ca -0.06 1.62 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 3jsm s TYR 146 Cb -0.02 -3.01 0.00 0.00 -0.11 0.00 0.00 41.96 38.82 3jsm s TYR 146 CO -0.02 -0.49 0.65 0.09 -1.11 0.00 0.00 175.55 174.66 3jsm n ASN 147 N -0.48 1.19 -3.99 2.29 3.02 -0.08 -4.68 115.26 112.52 3jsm n ASN 147 Ca 0.07 -1.40 -0.09 0.00 -0.03 0.00 0.00 54.58 53.13 3jsm n ASN 147 Cb 0.52 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.61 3jsm n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3jsm s VAL 148 N -0.40 0.13 -0.44 2.41 -7.23 -1.24 -1.65 120.40 111.98 3jsm s VAL 148 Ca 0.00 -1.51 -0.33 0.00 -1.81 0.00 0.00 61.98 58.33 3jsm s VAL 148 Cb 0.00 -1.66 -0.12 0.00 0.56 0.00 0.00 36.38 35.16 3jsm s VAL 148 CO 0.00 -0.58 2.29 0.18 -0.31 0.00 0.00 175.10 176.67 3jsm n LEU 149 N -0.08 1.97 -4.77 1.32 4.77 -0.30 -4.61 117.00 115.30 3jsm n LEU 149 Ca -0.11 0.23 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 3jsm n LEU 149 Cb 0.63 -1.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.40 3jsm n LEU 149 CO 0.26 -0.86 0.77 -2.16 -1.33 0.00 0.00 177.39 174.07 3jsm s PRO 150 N 6.87 4.28 -0.31 3.23 0.04 -1.26 -4.13 135.00 143.72 3jsm s PRO 150 Ca 1.11 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 63.52 3jsm s PRO 150 Cb -0.79 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.00 3jsm s PRO 150 CO 0.45 -0.07 1.20 -1.14 0.04 0.00 0.00 177.00 177.48 3jsm s GLN 151 N -2.13 3.98 0.00 4.56 0.74 -1.26 -3.26 119.66 122.29 3jsm s GLN 151 Ca 0.54 1.16 0.00 0.00 0.05 0.00 0.00 55.36 57.10 3jsm s GLN 151 Cb -0.27 -3.82 0.00 0.00 1.10 0.00 0.00 33.01 30.03 3jsm s GLN 151 CO 0.34 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.46 3jsm n GLY 152 N 4.13 0.98 3.83 2.59 0.00 -1.26 -2.10 105.19 113.36 3jsm n GLY 152 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3jsm n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jsm s TRP 153 N -2.00 3.57 0.37 1.61 -0.00 -1.20 -4.21 118.94 117.08 3jsm s TRP 153 Ca 0.00 1.25 0.09 0.00 -0.00 0.00 0.00 56.10 57.44 3jsm s TRP 153 Cb 0.00 -2.53 0.83 0.00 -0.00 0.00 0.00 33.47 31.77 3jsm s TRP 153 CO 0.00 0.30 1.91 -0.22 -0.00 0.00 0.00 176.95 178.94 3jsm h LYS 154 N 3.16 0.65 0.00 5.86 3.64 -1.92 -3.27 116.57 124.69 3jsm h LYS 154 Ca -0.48 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 58.71 3jsm h LYS 154 Cb 1.19 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3jsm h LYS 154 CO 0.66 0.43 -1.72 0.41 -2.27 0.00 0.00 179.45 176.96 3jsm n GLY 155 N -1.45 -1.13 0.33 5.01 0.00 -1.26 -4.59 105.19 102.09 3jsm n GLY 155 Ca 0.15 -0.27 0.24 0.00 0.00 0.00 0.00 46.02 46.13 3jsm n GLY 155 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jsm h SER 156 N 0.00 0.12 0.36 1.61 4.64 -1.86 -1.72 113.55 116.70 3jsm h SER 156 Ca -0.19 0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3jsm h SER 156 Cb 1.53 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 63.90 3jsm h SER 156 CO 0.03 -0.33 -0.38 -0.65 -0.87 0.00 0.00 176.83 174.63 3jsm h PRO 157 N 0.09 -0.74 -0.70 4.77 0.11 -1.82 0.40 132.00 134.11 3jsm h PRO 157 Ca 0.73 0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.91 3jsm h PRO 157 Cb 1.75 0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.99 3jsm h PRO 157 CO -0.76 -0.49 0.47 0.00 -0.21 0.00 0.00 178.00 177.00 3jsm h ALA 158 N -0.34 1.56 -0.19 -0.75 0.00 -1.63 -1.56 119.26 116.34 3jsm h ALA 158 Ca -0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3jsm h ALA 158 Cb 0.70 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3jsm h ALA 158 CO -0.08 0.39 -0.08 0.82 0.00 0.00 0.00 179.25 180.30 3jsm h ILE 159 N 0.89 1.30 0.16 0.00 2.04 -1.01 -1.55 117.51 119.34 3jsm h ILE 159 Ca 0.27 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 3jsm h ILE 159 Cb -0.01 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3jsm h ILE 159 CO -0.07 0.34 -0.09 0.15 0.00 0.00 0.00 178.15 178.47 3jsm h PHE 160 N 0.09 -0.24 -0.80 1.37 3.57 0.25 0.12 116.94 121.30 3jsm h PHE 160 Ca 0.04 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3jsm h PHE 160 Cb 0.56 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 3jsm h PHE 160 CO 0.06 -0.15 0.53 1.96 -2.23 0.00 0.00 178.31 178.48 3jsm h GLN 161 N -0.24 0.91 0.12 1.11 4.20 -1.32 0.16 115.11 120.04 3jsm h GLN 161 Ca -0.02 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3jsm h GLN 161 Cb 0.20 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3jsm h GLN 161 CO 0.02 0.60 -0.06 1.03 -0.67 0.00 0.00 178.83 179.75 3jsm h SER 162 N 0.93 -0.14 -0.37 1.46 0.87 -0.76 -2.35 113.55 113.20 3jsm h SER 162 Ca 0.33 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3jsm h SER 162 Cb 0.13 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3jsm h SER 162 CO -0.11 0.11 0.19 0.28 -0.53 0.00 0.00 176.83 176.77 3jsm h SER 163 N -0.39 0.47 -0.64 6.23 0.02 -0.40 -2.15 113.55 116.70 3jsm h SER 163 Ca -0.02 -0.11 0.13 0.00 -0.84 0.00 0.00 61.79 60.96 3jsm h SER 163 Cb 0.31 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.63 3jsm h SER 163 CO 0.03 0.44 0.10 -0.03 -1.14 0.00 0.00 176.83 176.23 3jsm h MET 164 N 0.47 0.21 -0.34 3.45 -1.53 -0.65 0.51 114.93 117.05 3jsm h MET 164 Ca 0.13 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.35 3jsm h MET 164 Cb 0.09 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.07 3jsm h MET 164 CO -0.02 0.14 0.11 1.15 0.14 0.00 0.00 176.91 178.43 3jsm h THR 165 N 0.22 1.21 -0.81 -0.77 2.02 -1.16 0.12 112.91 113.74 3jsm h THR 165 Ca 0.34 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.91 3jsm h THR 165 Cb 0.55 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 3jsm h THR 165 CO -0.47 0.23 0.53 0.50 0.37 0.00 0.00 175.52 176.68 3jsm h LYS 166 N 0.40 0.89 -0.20 6.66 3.64 -0.44 0.66 116.57 128.18 3jsm h LYS 166 Ca 0.11 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3jsm h LYS 166 Cb 0.25 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3jsm h LYS 166 CO -0.00 0.59 -0.25 0.82 -2.27 0.00 0.00 179.45 178.33 3jsm h ILE 167 N 0.92 1.33 0.00 2.00 2.04 0.60 -3.10 117.51 121.30 3jsm h ILE 167 Ca 0.34 -1.45 -0.10 0.00 1.00 0.00 0.00 64.86 64.66 3jsm h ILE 167 Cb 0.17 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3jsm h ILE 167 CO -0.11 0.44 -0.45 -0.07 0.00 0.00 0.00 178.15 177.95 3jsm h LEU 168 N 0.20 0.00 -0.31 1.44 3.38 -0.21 -3.37 115.31 116.44 3jsm h LEU 168 Ca 0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3jsm h LEU 168 Cb 0.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3jsm h LEU 168 CO 0.06 0.45 -0.18 1.21 0.09 0.00 0.00 178.44 180.07 3jsm n GLU 169 N -3.74 -0.13 -0.19 1.13 2.13 0.22 -0.99 120.64 119.06 3jsm n GLU 169 Ca -0.01 0.78 -0.01 0.00 0.66 0.00 0.00 57.16 58.58 3jsm n GLU 169 Cb 0.52 -1.15 0.09 0.00 0.27 0.00 0.00 31.44 31.17 3jsm n GLU 169 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3jsm h PRO 170 N 0.00 0.34 0.09 5.31 0.13 -1.78 0.11 132.00 136.20 3jsm h PRO 170 Ca 0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3jsm h PRO 170 Cb 0.13 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 3jsm h PRO 170 CO -0.29 0.22 -0.08 0.35 -0.23 0.00 0.00 178.00 177.98 3jsm h PHE 171 N 0.35 -0.20 -0.44 1.56 3.57 -1.32 0.35 116.94 120.81 3jsm h PHE 171 Ca 0.29 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.87 3jsm h PHE 171 Cb 0.36 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 3jsm h PHE 171 CO -0.19 -0.12 -0.05 0.87 -2.23 0.00 0.00 178.31 176.59 3jsm h LYS 172 N -0.18 0.06 -0.27 1.11 1.57 -0.62 0.17 116.57 118.40 3jsm h LYS 172 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3jsm h LYS 172 Cb 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3jsm h LYS 172 CO -0.01 0.04 0.09 -0.22 -0.57 0.00 0.00 179.45 178.77 3jsm h LYS 173 N 0.06 0.38 -0.02 3.15 1.63 -0.34 -2.16 116.57 119.28 3jsm h LYS 173 Ca 0.21 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3jsm h LYS 173 Cb 0.32 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3jsm h LYS 173 CO -0.40 0.34 -0.32 0.94 -3.45 0.00 0.00 179.45 176.56 3jsm n GLN 174 N -4.40 1.33 -2.77 1.90 7.27 0.07 -4.30 117.38 116.48 3jsm n GLN 174 Ca 0.01 -1.02 -0.15 0.00 0.07 0.00 0.00 57.00 55.91 3jsm n GLN 174 Cb 0.14 -1.48 0.01 0.00 2.41 0.00 0.00 30.24 31.32 3jsm n GLN 174 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3jsm n ASN 175 N 0.06 1.92 -0.18 1.69 3.02 0.48 -4.95 115.26 117.31 3jsm n ASN 175 Ca 0.11 -2.97 0.29 0.00 -0.03 0.00 0.00 54.58 51.98 3jsm n ASN 175 Cb 0.45 -0.54 0.73 0.00 -0.61 0.00 0.00 39.78 39.81 3jsm n ASN 175 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3jsm h PRO 176 N 2.94 0.00 -0.04 3.52 0.13 -1.59 0.45 132.00 137.41 3jsm h PRO 176 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3jsm h PRO 176 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3jsm h PRO 176 CO 0.57 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.09 3jsm n ASP 177 N -4.18 0.30 -4.25 1.44 8.00 -1.26 -4.71 116.55 111.89 3jsm n ASP 177 Ca 0.19 -1.71 -0.34 0.00 0.71 0.00 0.00 54.79 53.64 3jsm n ASP 177 Cb 1.00 -0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 41.92 3jsm n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3jsm s ILE 178 N -1.94 2.80 0.37 0.53 1.01 0.15 -4.69 121.20 119.42 3jsm s ILE 178 Ca 0.17 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.87 3jsm s ILE 178 Cb 0.08 -2.22 -0.09 0.00 0.01 0.00 0.00 42.46 40.24 3jsm s ILE 178 CO 0.13 0.49 1.05 -0.69 0.00 0.00 0.00 174.94 175.92 3jsm s VAL 179 N 1.17 3.70 -0.41 2.92 1.01 -0.60 -4.94 120.40 123.24 3jsm s VAL 179 Ca 0.01 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.41 3jsm s VAL 179 Cb -0.14 -3.75 0.17 0.00 0.00 0.00 0.00 36.38 32.65 3jsm s VAL 179 CO -0.05 0.09 0.40 -0.63 0.00 0.00 0.00 175.10 174.91 3jsm s ILE 180 N -1.55 -0.10 -0.53 2.22 1.01 -1.26 -1.41 121.20 119.58 3jsm s ILE 180 Ca 0.55 -1.81 -0.27 0.00 0.00 0.00 0.00 60.65 59.12 3jsm s ILE 180 Cb -0.24 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 3jsm s ILE 180 CO 0.30 -0.82 1.93 -0.31 0.00 0.00 0.00 174.94 176.04 3jsm s TYR 181 N 0.68 1.60 -0.15 3.97 1.51 0.59 -4.81 117.35 120.74 3jsm s TYR 181 Ca 0.26 0.87 -0.07 0.00 -1.01 0.00 0.00 57.07 57.12 3jsm s TYR 181 Cb -0.05 -4.02 -0.04 0.00 -0.11 0.00 0.00 41.96 37.74 3jsm s TYR 181 CO -0.10 -2.48 0.11 1.14 -1.11 0.00 0.00 175.55 173.10 3jsm s GLN 182 N 6.94 3.67 -0.30 -0.62 -2.07 -1.26 -1.71 119.66 124.31 3jsm s GLN 182 Ca 0.74 -0.23 -0.03 0.00 -1.82 0.00 0.00 55.36 54.03 3jsm s GLN 182 Cb -0.15 -3.20 0.11 0.00 -1.09 0.00 0.00 33.01 28.68 3jsm s GLN 182 CO 0.24 0.55 0.18 -0.47 -1.32 0.00 0.00 175.29 174.47 3jsm s TYR 183 N -0.40 0.21 0.00 9.60 5.04 -0.65 -5.01 117.35 126.14 3jsm s TYR 183 Ca 0.11 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.89 3jsm s TYR 183 Cb -0.12 -0.81 0.00 0.00 0.35 0.00 0.00 41.96 41.38 3jsm s TYR 183 CO 0.02 -0.85 0.00 -0.12 -1.34 0.00 0.00 175.55 173.25 3jsm n MET 184 N 5.09 0.00 -0.05 4.97 1.56 -1.26 -1.66 117.12 125.76 3jsm n MET 184 Ca -0.03 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.48 3jsm n MET 184 Cb 0.42 0.00 0.10 0.00 2.15 0.00 0.00 33.22 35.89 3jsm n MET 184 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 3jsm n ASP 185 N 10.79 2.56 -4.69 6.12 5.75 -1.26 -4.79 116.55 131.03 3jsm n ASP 185 Ca 0.00 -1.74 -0.39 0.00 -0.01 0.00 0.00 54.79 52.65 3jsm n ASP 185 Cb 0.00 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 39.96 3jsm n ASP 185 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3jsm s ASP 186 N -1.27 6.73 -0.13 -1.12 2.15 -0.66 -2.12 116.67 120.26 3jsm s ASP 186 Ca 0.22 0.88 0.03 0.00 0.43 0.00 0.00 52.55 54.10 3jsm s ASP 186 Cb 0.14 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 3jsm s ASP 186 CO 0.21 -0.13 -0.21 -0.76 -0.17 0.00 0.00 175.17 174.11 3jsm s LEU 187 N 1.17 2.21 -0.23 -1.34 1.43 0.50 -1.63 118.68 120.79 3jsm s LEU 187 Ca 0.29 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3jsm s LEU 187 Cb -0.16 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3jsm s LEU 187 CO 0.12 0.12 -0.07 -0.47 0.23 0.00 0.00 176.35 176.28 3jsm s TYR 188 N 0.58 2.97 -0.30 0.29 6.14 -0.70 0.07 117.35 126.40 3jsm s TYR 188 Ca -0.12 -1.27 -0.07 0.00 0.64 0.00 0.00 57.07 56.25 3jsm s TYR 188 Cb -0.17 -2.06 0.02 0.00 0.42 0.00 0.00 41.96 40.17 3jsm s TYR 188 CO 0.03 -0.66 0.08 0.08 0.64 0.00 0.00 175.55 175.73 3jsm s VAL 189 N 1.39 3.91 -0.04 3.14 1.01 0.61 -0.30 120.40 130.12 3jsm s VAL 189 Ca 0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3jsm s VAL 189 Cb -0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3jsm s VAL 189 CO -0.05 0.02 0.07 -0.83 0.00 0.00 0.00 175.10 174.31 3jsm s GLY 190 N 1.47 1.99 0.06 4.51 0.00 -0.50 -1.28 107.32 113.58 3jsm s GLY 190 Ca 0.02 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 43.79 3jsm s GLY 190 CO 0.02 -0.66 0.26 -0.45 0.00 0.00 0.00 173.10 172.28 3jsm s SER 191 N -1.44 -0.04 -0.44 1.64 0.15 -0.17 -1.56 113.70 111.83 3jsm s SER 191 Ca 0.19 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.53 3jsm s SER 191 Cb -0.12 0.35 0.47 0.00 -1.71 0.00 0.00 66.02 65.01 3jsm s SER 191 CO 0.10 -0.66 1.57 0.47 1.20 0.00 0.00 173.24 175.92 3jsm n ASP 192 N 0.36 5.70 -4.88 5.45 8.00 -1.26 -0.70 116.55 129.22 3jsm n ASP 192 Ca -0.17 -3.77 -0.21 0.00 0.71 0.00 0.00 54.79 51.35 3jsm n ASP 192 Cb 0.60 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 3jsm n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jsm s LEU 193 N -3.64 3.53 0.69 0.64 1.43 -1.26 -4.90 118.68 115.16 3jsm s LEU 193 Ca 0.56 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3jsm s LEU 193 Cb 0.45 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.46 3jsm s LEU 193 CO 0.02 -0.52 1.07 -1.61 0.23 0.00 0.00 176.35 175.53 3jsm s GLU 194 N -4.09 3.04 0.14 1.70 0.41 -1.26 -4.32 118.70 114.31 3jsm s GLU 194 Ca 0.45 0.65 -0.32 0.00 -0.41 0.00 0.00 54.97 55.35 3jsm s GLU 194 Cb -0.05 -2.03 -0.09 0.00 -1.78 0.00 0.00 34.13 30.18 3jsm s GLU 194 CO 0.28 -0.95 1.54 0.97 -0.49 0.00 0.00 175.26 176.61 3jsm h ILE 195 N -0.60 0.00 -0.33 -1.63 6.09 -1.98 0.97 117.51 120.03 3jsm h ILE 195 Ca -0.45 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.08 3jsm h ILE 195 Cb 1.23 0.00 -0.06 0.00 0.47 0.00 0.00 36.82 38.46 3jsm h ILE 195 CO 0.62 0.00 -0.39 1.23 -3.07 0.00 0.00 178.15 176.54 3jsm h GLY 196 N -0.23 -1.31 1.97 8.18 0.00 -1.99 0.31 103.07 110.00 3jsm h GLY 196 Ca 0.11 0.77 -0.07 0.00 0.00 0.00 0.00 47.33 48.14 3jsm h GLY 196 CO -0.73 -0.31 -0.34 1.46 0.00 0.00 0.00 176.54 176.62 3jsm h GLN 197 N -0.25 0.04 -0.06 4.80 4.20 -1.80 -2.71 115.11 119.34 3jsm h GLN 197 Ca 0.06 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 3jsm h GLN 197 Cb 0.40 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3jsm h GLN 197 CO -0.44 0.38 -0.21 1.25 -0.67 0.00 0.00 178.83 179.14 3jsm h HIS 198 N 0.04 0.33 0.00 2.96 2.76 -0.35 -2.53 115.15 118.35 3jsm h HIS 198 Ca 0.00 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 3jsm h HIS 198 Cb 0.62 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.53 3jsm h HIS 198 CO 0.00 0.83 0.08 0.00 -1.30 0.00 0.00 177.93 177.55 3jsm h ARG 199 N -0.27 0.00 0.13 5.26 3.08 -0.18 0.26 114.38 122.67 3jsm h ARG 199 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 3jsm h ARG 199 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.91 3jsm h ARG 199 CO 0.04 0.00 -1.11 1.15 -1.07 0.00 0.00 179.97 178.99 3jsm h THR 200 N 0.00 1.29 -0.14 2.04 2.02 -1.38 -2.87 112.91 113.87 3jsm h THR 200 Ca 0.00 -2.48 -0.06 0.00 0.77 0.00 0.00 66.41 64.64 3jsm h THR 200 Cb 0.17 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 3jsm h THR 200 CO 0.00 0.71 -0.18 0.11 0.37 0.00 0.00 175.52 176.53 3jsm h LYS 201 N -0.33 0.23 0.00 6.66 1.79 -0.30 -0.47 116.57 124.15 3jsm h LYS 201 Ca -0.22 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 3jsm h LYS 201 Cb 1.71 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.34 3jsm h LYS 201 CO 0.11 0.41 -0.04 0.97 -1.08 0.00 0.00 179.45 179.82 3jsm h ILE 202 N 0.21 0.12 0.07 1.86 6.09 -0.69 -0.98 117.51 124.19 3jsm h ILE 202 Ca 0.04 -0.56 -0.15 0.00 -1.37 0.00 0.00 64.86 62.81 3jsm h ILE 202 Cb 0.45 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.25 3jsm h ILE 202 CO 0.03 0.04 -0.75 -0.08 -3.07 0.00 0.00 178.15 174.32 3jsm h GLU 203 N 0.00 0.16 -0.84 2.19 4.57 -0.89 -2.77 114.58 117.01 3jsm h GLU 203 Ca -0.00 -0.27 0.06 0.00 -1.18 0.00 0.00 59.36 57.98 3jsm h GLU 203 Cb 0.50 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.12 3jsm h GLU 203 CO 0.01 1.13 0.51 0.93 -1.18 0.00 0.00 179.01 180.40 3jsm h GLU 204 N -0.63 0.90 0.31 1.92 5.08 -1.05 0.69 114.58 121.80 3jsm h GLU 204 Ca -0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3jsm h GLU 204 Cb 1.43 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3jsm h GLU 204 CO 0.04 0.59 -0.15 1.25 -1.00 0.00 0.00 179.01 179.74 3jsm h LEU 205 N 0.92 -0.35 -0.51 1.33 5.85 -1.29 -0.76 115.31 120.50 3jsm h LEU 205 Ca 0.37 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.18 3jsm h LEU 205 Cb 0.19 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 3jsm h LEU 205 CO -0.18 -0.23 0.02 0.03 -0.34 0.00 0.00 178.44 177.74 3jsm h ARG 206 N -0.45 0.13 -0.15 1.25 3.08 -0.99 -0.23 114.38 117.03 3jsm h ARG 206 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3jsm h ARG 206 Cb 0.34 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3jsm h ARG 206 CO 0.07 0.09 0.09 1.96 -1.07 0.00 0.00 179.97 181.11 3jsm h GLN 207 N 0.14 0.20 -0.39 0.04 4.20 -0.69 0.67 115.11 119.28 3jsm h GLN 207 Ca 0.26 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.03 3jsm h GLN 207 Cb 0.38 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.04 3jsm h GLN 207 CO -0.41 0.16 -0.20 1.25 -0.67 0.00 0.00 178.83 178.95 3jsm h HIS 208 N 0.18 -0.52 -0.05 2.96 2.76 -0.52 0.44 115.15 120.40 3jsm h HIS 208 Ca 0.05 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3jsm h HIS 208 Cb 0.01 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 3jsm h HIS 208 CO -0.06 -0.28 -0.08 -0.07 -1.30 0.00 0.00 177.93 176.13 3jsm h LEU 209 N -0.14 -0.25 -0.24 0.26 3.38 -0.53 -1.09 115.31 116.70 3jsm h LEU 209 Ca 0.19 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.25 3jsm h LEU 209 Cb 0.43 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3jsm h LEU 209 CO -0.47 -0.12 -0.02 0.25 0.09 0.00 0.00 178.44 178.17 3jsm h LEU 210 N -0.12 -0.13 -1.82 1.67 5.85 0.87 0.52 115.31 122.15 3jsm h LEU 210 Ca 0.05 0.06 0.20 0.00 0.84 0.00 0.00 57.88 59.03 3jsm h LEU 210 Cb 0.19 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3jsm h LEU 210 CO -0.12 -0.03 0.54 -0.09 -0.34 0.00 0.00 178.44 178.39 3jsm h ARG 211 N 0.05 0.15 -0.70 1.25 2.43 0.15 0.21 114.38 117.93 3jsm h ARG 211 Ca 0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3jsm h ARG 211 Cb 0.15 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3jsm h ARG 211 CO -0.20 0.10 0.00 0.91 -1.51 0.00 0.00 179.97 179.27 3jsm n TRP 212 N -4.39 1.49 -0.65 2.20 7.02 -0.21 -4.89 117.44 118.00 3jsm n TRP 212 Ca 0.16 -0.52 0.00 0.00 -1.02 0.00 0.00 57.50 56.12 3jsm n TRP 212 Cb 0.73 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 3jsm n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3jsm n GLY 213 N 0.45 0.77 3.29 6.99 0.00 0.74 -4.53 105.19 112.90 3jsm n GLY 213 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3jsm n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jsm s LEU 214 N 0.00 3.02 0.05 0.99 1.43 0.17 -3.46 118.68 120.88 3jsm s LEU 214 Ca 0.00 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 3jsm s LEU 214 Cb 0.00 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 3jsm s LEU 214 CO 0.00 -0.05 0.62 0.42 0.23 0.00 0.00 176.35 177.57 3jsm s THR 215 N 1.45 4.76 -0.63 5.49 -4.23 -1.26 -1.02 115.64 120.20 3jsm s THR 215 Ca 0.05 1.32 0.06 0.00 -1.18 0.00 0.00 61.69 61.93 3jsm s THR 215 Cb -0.15 -3.96 0.22 0.00 1.34 0.00 0.00 72.50 69.95 3jsm s THR 215 CO -0.03 0.48 0.62 0.35 -0.54 0.00 0.00 174.62 175.50 3jsm n THR 216 N 2.19 1.69 -0.85 3.99 -2.24 -1.26 -0.88 114.28 116.92 3jsm n THR 216 Ca -0.08 -4.91 -0.28 0.00 -2.27 0.00 0.00 64.05 56.51 3jsm n THR 216 Cb 0.51 -2.10 0.22 0.00 -2.10 0.00 0.00 70.33 66.86 3jsm n THR 216 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3jsm s PRO 217 N -1.89 -0.37 -0.98 -0.78 0.04 -1.26 -4.86 135.00 124.90 3jsm s PRO 217 Ca 0.34 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.78 3jsm s PRO 217 Cb 0.08 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.98 3jsm s PRO 217 CO -0.09 -3.30 1.74 -0.51 0.04 0.00 0.00 177.00 174.89 3jsm s ASP 218 N -2.99 5.73 0.00 6.66 1.11 -1.26 -3.08 116.67 122.84 3jsm s ASP 218 Ca 0.67 -1.09 0.00 0.00 0.18 0.00 0.00 52.55 52.31 3jsm s ASP 218 Cb -0.22 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.21 3jsm s ASP 218 CO 0.61 -2.22 0.20 1.17 1.18 0.00 0.00 175.17 176.12 3jsm n LYS 219 N 8.83 0.00 -3.01 8.23 4.81 -1.26 -5.05 118.16 130.71 3jsm n LYS 219 Ca 0.38 -0.04 -0.43 0.00 -0.87 0.00 0.00 58.31 57.35 3jsm n LYS 219 Cb 0.48 -0.03 -0.05 0.00 0.02 0.00 0.00 35.03 35.45 3jsm n LYS 219 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3jsm s LYS 220 N 0.00 3.22 0.07 1.64 2.20 -1.18 -4.45 119.74 121.23 3jsm s LYS 220 Ca 0.00 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 54.69 3jsm s LYS 220 Cb 0.00 -4.08 -0.08 0.00 -1.51 0.00 0.00 37.83 32.16 3jsm s LYS 220 CO 0.00 -1.36 1.52 -1.01 -0.36 0.00 0.00 175.35 174.14 3jsm s HIS 221 N 3.25 2.77 0.00 4.03 3.76 0.02 -4.92 115.29 124.20 3jsm s HIS 221 Ca 0.22 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 3jsm s HIS 221 Cb -0.16 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 29.71 3jsm s HIS 221 CO 0.15 -3.12 0.00 1.04 -0.85 0.00 0.00 174.74 171.96 3jsm n GLN 222 N 5.07 0.00 -2.06 1.40 6.02 -1.26 -2.58 117.38 123.97 3jsm n GLN 222 Ca 0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.84 3jsm n GLN 222 Cb 0.42 -0.12 0.03 0.00 1.02 0.00 0.00 30.24 31.58 3jsm n GLN 222 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3jsm n LYS 223 N -2.23 3.27 0.00 -1.09 3.00 -1.26 -4.69 118.16 115.16 3jsm n LYS 223 Ca 0.00 -4.05 0.15 0.00 -0.00 0.00 0.00 58.31 54.41 3jsm n LYS 223 Cb 0.00 -2.27 0.76 0.00 0.00 0.00 0.00 35.03 33.52 3jsm n LYS 223 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3jsm n GLU 224 N -0.63 1.17 -1.55 1.64 4.07 -1.26 -4.90 120.64 119.17 3jsm n GLU 224 Ca 0.47 -0.35 -0.52 0.00 -0.06 0.00 0.00 57.16 56.69 3jsm n GLU 224 Cb 0.69 -1.49 -0.06 0.00 -0.06 0.00 0.00 31.44 30.53 3jsm n GLU 224 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3jsm n PRO 225 N -0.61 0.81 -2.76 5.31 -0.02 -1.26 -3.05 135.00 133.43 3jsm n PRO 225 Ca 0.21 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 3jsm n PRO 225 Cb 0.21 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 3jsm n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3jsm s PRO 226 N -0.01 4.60 0.40 0.52 0.04 -1.26 -5.08 135.00 134.21 3jsm s PRO 226 Ca 0.81 1.37 -0.22 0.00 0.04 0.00 0.00 61.00 63.01 3jsm s PRO 226 Cb -0.99 -3.42 -0.11 0.00 0.04 0.00 0.00 34.50 30.02 3jsm s PRO 226 CO 0.52 0.08 0.93 -0.06 0.04 0.00 0.00 177.00 178.51 3jsm s PHE 227 N 0.53 3.40 -0.39 0.56 0.40 -0.58 -4.74 117.98 117.16 3jsm s PHE 227 Ca 0.48 1.62 -0.14 0.00 -0.60 0.00 0.00 56.93 58.30 3jsm s PHE 227 Cb -0.22 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.49 3jsm s PHE 227 CO 0.28 -0.02 0.27 -0.51 0.70 0.00 0.00 175.22 175.94 3jsm s LEU 228 N -2.90 4.94 -0.07 -0.37 1.43 -1.26 -0.15 118.68 120.30 3jsm s LEU 228 Ca 0.59 -0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3jsm s LEU 228 Cb -0.11 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.03 3jsm s LEU 228 CO 0.16 -0.41 0.16 0.86 0.23 0.00 0.00 176.35 177.34 3jsm s TRP 229 N 1.65 -0.18 -0.98 0.29 -0.00 -1.16 -4.88 118.94 113.69 3jsm s TRP 229 Ca 0.04 0.54 0.00 0.00 -0.00 0.00 0.00 56.10 56.69 3jsm s TRP 229 Cb -0.19 -0.14 0.00 0.00 -0.00 0.00 0.00 33.47 33.14 3jsm s TRP 229 CO 0.09 -0.21 0.00 -1.33 -0.00 0.00 0.00 176.95 175.50 3jsm n MET 230 N 4.62 -1.69 -0.34 5.86 2.81 -1.26 -1.41 117.12 125.72 3jsm n MET 230 Ca -0.19 0.75 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 3jsm n MET 230 Cb 0.51 -5.03 0.00 0.00 -0.71 0.00 0.00 33.22 27.99 3jsm n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3jsm n GLY 231 N 0.25 1.56 2.13 3.03 0.00 -1.26 -5.09 105.19 105.82 3jsm n GLY 231 Ca -0.09 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 3jsm n GLY 231 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3jsm n TYR 232 N -1.66 -0.07 -3.79 1.61 4.01 -0.50 -3.37 117.16 113.39 3jsm n TYR 232 Ca 0.00 -1.72 -0.29 0.00 -0.16 0.00 0.00 57.90 55.73 3jsm n TYR 232 Cb 0.08 0.05 -0.16 0.00 -0.31 0.00 0.00 39.34 39.00 3jsm n TYR 232 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3jsm s GLU 233 N -2.96 0.93 -0.54 -0.72 2.12 0.42 -2.99 118.70 114.95 3jsm s GLU 233 Ca 0.17 -0.78 -0.19 0.00 0.36 0.00 0.00 54.97 54.53 3jsm s GLU 233 Cb 0.01 -2.22 0.07 0.00 0.26 0.00 0.00 34.13 32.26 3jsm s GLU 233 CO 0.12 -0.74 0.67 -0.51 -0.54 0.00 0.00 175.26 174.26 3jsm s LEU 234 N 1.66 5.09 0.38 2.70 1.43 0.79 -2.07 118.68 128.67 3jsm s LEU 234 Ca 0.01 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 3jsm s LEU 234 Cb -0.18 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 3jsm s LEU 234 CO -0.12 -0.99 0.57 -1.00 0.23 0.00 0.00 176.35 175.03 3jsm s HIS 235 N 2.71 3.24 0.41 0.29 3.76 0.53 -1.53 115.29 124.70 3jsm s HIS 235 Ca 0.14 0.08 0.21 0.00 -0.15 0.00 0.00 55.06 55.34 3jsm s HIS 235 Cb -0.21 -2.10 1.17 0.00 1.11 0.00 0.00 32.58 32.56 3jsm s HIS 235 CO 0.10 -0.12 1.74 -1.35 -0.85 0.00 0.00 174.74 174.26 3jsm h PRO 236 N 0.66 0.32 0.00 8.40 0.11 -1.98 -3.16 132.00 136.35 3jsm h PRO 236 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jsm h PRO 236 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3jsm h PRO 236 CO 0.57 0.21 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 3jsm n ASP 237 N -4.64 0.46 -3.79 -2.05 8.00 -1.26 -4.91 116.55 108.36 3jsm n ASP 237 Ca 0.27 -1.02 -0.10 0.00 0.71 0.00 0.00 54.79 54.66 3jsm n ASP 237 Cb 0.99 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 42.03 3jsm n ASP 237 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3jsm s LYS 238 N -0.02 1.22 0.10 -1.24 -2.85 -1.20 -4.52 119.74 111.23 3jsm s LYS 238 Ca 0.00 -0.94 -0.02 0.00 -1.00 0.00 0.00 55.97 54.01 3jsm s LYS 238 Cb 0.00 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 3jsm s LYS 238 CO 0.00 -0.48 0.05 1.67 0.10 0.00 0.00 175.35 176.69 3jsm s TRP 239 N -3.89 0.66 0.17 1.78 1.48 -0.36 -0.35 118.94 118.43 3jsm s TRP 239 Ca 0.10 -1.10 -0.23 0.00 -1.06 0.00 0.00 56.10 53.81 3jsm s TRP 239 Cb 0.01 -0.39 0.06 0.00 -1.16 0.00 0.00 33.47 32.00 3jsm s TRP 239 CO -0.04 -0.49 0.65 -0.08 -4.06 0.00 0.00 176.95 172.93 3jsm s THR 240 N -3.99 0.00 0.57 0.66 -1.32 -0.88 -0.69 115.64 109.99 3jsm s THR 240 Ca 0.16 -0.18 -0.09 0.00 -1.21 0.00 0.00 61.69 60.37 3jsm s THR 240 Cb 0.07 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 3jsm s THR 240 CO -0.03 0.00 0.95 0.68 -2.21 0.00 0.00 174.62 174.01 3jsm s VAL 241 N -3.71 4.76 0.86 5.08 -7.23 -1.26 -0.43 120.40 118.46 3jsm s VAL 241 Ca 0.03 0.69 -0.12 0.00 -1.81 0.00 0.00 61.98 60.77 3jsm s VAL 241 Cb -0.02 -3.86 0.10 0.00 0.56 0.00 0.00 36.38 33.17 3jsm s VAL 241 CO -0.09 -1.03 1.10 -1.10 -0.31 0.00 0.00 175.10 173.67 3jsm s GLN 242 N -4.97 1.60 -0.42 4.82 -0.21 -1.22 -4.78 119.66 114.48 3jsm s GLN 242 Ca 0.53 0.64 -0.44 0.00 0.02 0.00 0.00 55.36 56.11 3jsm s GLN 242 Cb -0.11 -1.86 -0.18 0.00 1.00 0.00 0.00 33.01 31.86 3jsm s GLN 242 CO 0.50 -1.96 1.75 -2.30 -2.12 0.00 0.00 175.29 171.16 3jsm n PRO 243 N -3.66 0.45 -3.33 2.91 -0.02 -1.26 -4.87 135.00 125.21 3jsm n PRO 243 Ca 0.07 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 3jsm n PRO 243 Cb 0.56 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 3jsm n PRO 243 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3jsm n ILE 244 N 4.68 2.93 -1.96 4.25 3.06 -1.26 -5.08 119.36 125.98 3jsm n ILE 244 Ca 0.33 -5.37 -0.42 0.00 -2.50 0.00 0.00 62.75 54.79 3jsm n ILE 244 Cb 0.02 -2.07 -0.03 0.00 0.54 0.00 0.00 39.64 38.10 3jsm n ILE 244 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3jsm s VAL 245 N -2.61 2.68 0.31 9.51 1.01 -1.26 -5.05 120.40 124.98 3jsm s VAL 245 Ca 0.39 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.88 3jsm s VAL 245 Cb 0.14 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3jsm s VAL 245 CO 0.01 0.04 0.48 -0.76 0.00 0.00 0.00 175.10 174.87 3jsm s LEU 246 N 1.06 4.12 -0.14 3.92 1.43 -1.26 -5.08 118.68 122.72 3jsm s LEU 246 Ca 0.69 0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.91 3jsm s LEU 246 Cb -0.43 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 3jsm s LEU 246 CO 0.32 -0.21 0.56 -2.16 0.23 0.00 0.00 176.35 175.09 3jsm s PRO 247 N -4.18 4.30 -0.41 1.29 0.04 -1.26 -5.04 135.00 129.74 3jsm s PRO 247 Ca 0.38 0.56 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 3jsm s PRO 247 Cb -0.09 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.97 3jsm s PRO 247 CO 0.33 -0.01 0.33 -2.00 0.04 0.00 0.00 177.00 175.69 3jsm s GLU 248 N 1.16 3.03 0.16 4.56 2.12 -1.26 -5.05 118.70 123.42 3jsm s GLU 248 Ca 0.28 -0.94 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 3jsm s GLU 248 Cb -0.16 -3.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.22 3jsm s GLU 248 CO 0.11 -0.76 0.06 -1.59 -0.54 0.00 0.00 175.26 172.54 3jsm s LYS 249 N 1.79 1.04 -0.01 4.30 -2.85 -1.26 -5.10 119.74 117.65 3jsm s LYS 249 Ca 0.07 -1.51 -0.01 0.00 -1.00 0.00 0.00 55.97 53.52 3jsm s LYS 249 Cb -0.18 0.10 -0.00 0.00 -2.06 0.00 0.00 37.83 35.69 3jsm s LYS 249 CO 0.11 -0.26 0.26 0.38 0.10 0.00 0.00 175.35 175.95 3jsm h ASP 250 N 2.76 -0.03 -3.69 0.03 3.04 -2.06 -3.46 116.42 113.01 3jsm h ASP 250 Ca -0.36 0.00 -0.67 0.00 -3.24 0.00 0.00 57.03 52.76 3jsm h ASP 250 Cb 1.21 0.01 -0.25 0.00 -1.04 0.00 0.00 39.33 39.26 3jsm h ASP 250 CO 0.59 0.01 -0.76 -0.94 -2.04 0.00 0.00 179.24 176.10 3jsm s SER 251 N -2.96 4.04 -0.18 4.15 1.04 -1.26 -5.10 113.70 113.43 3jsm s SER 251 Ca -0.00 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.08 3jsm s SER 251 Cb 0.00 -1.22 -0.05 0.00 0.10 0.00 0.00 66.02 64.86 3jsm s SER 251 CO 0.01 0.26 0.13 0.26 0.98 0.00 0.00 173.24 174.88 3jsm s TRP 252 N -0.23 3.45 0.58 5.02 0.52 -1.26 -5.02 118.94 122.00 3jsm s TRP 252 Ca 0.01 0.37 0.07 0.00 0.02 0.00 0.00 56.10 56.57 3jsm s TRP 252 Cb -0.13 -2.09 0.10 0.00 -1.15 0.00 0.00 33.47 30.20 3jsm s TRP 252 CO 0.03 0.40 0.80 0.25 0.02 0.00 0.00 176.95 178.45 3jsm n THR 253 N 3.10 0.00 -0.03 2.01 -2.24 -1.26 -0.01 114.28 115.85 3jsm n THR 253 Ca -0.17 -1.76 -0.13 0.00 -2.27 0.00 0.00 64.05 59.72 3jsm n THR 253 Cb 0.53 -0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 68.03 3jsm n THR 253 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3jsm h VAL 254 N -0.05 1.49 0.00 2.28 2.07 -1.69 -2.82 116.25 117.53 3jsm h VAL 254 Ca -0.27 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3jsm h VAL 254 Cb 1.17 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 3jsm h VAL 254 CO 0.36 0.39 0.00 -0.55 0.02 0.00 0.00 177.57 177.79 3jsm h ASN 255 N -0.65 0.00 0.18 0.57 7.08 -1.85 0.10 115.58 121.00 3jsm h ASN 255 Ca -0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 3jsm h ASN 255 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 3jsm h ASN 255 CO 0.00 0.00 -0.08 0.44 -2.08 0.00 0.00 177.43 175.71 3jsm h ASP 256 N 0.00 -0.20 -0.50 6.14 3.32 -1.85 -0.69 116.42 122.65 3jsm h ASP 256 Ca 0.00 -0.29 0.08 0.00 0.02 0.00 0.00 57.03 56.84 3jsm h ASP 256 Cb 0.04 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3jsm h ASP 256 CO 0.00 0.21 0.34 0.40 -1.72 0.00 0.00 179.24 178.47 3jsm h ILE 257 N -0.66 0.93 0.09 0.35 1.08 -0.61 0.18 117.51 118.88 3jsm h ILE 257 Ca -0.02 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3jsm h ILE 257 Cb 0.48 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 3jsm h ILE 257 CO 0.04 0.06 -0.04 0.00 -0.69 0.00 0.00 178.15 177.52 3jsm h LYS 259 N -0.36 -0.56 -0.08 0.00 1.57 -0.17 0.79 116.57 117.76 3jsm h LYS 259 Ca -0.01 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3jsm h LYS 259 Cb 0.31 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3jsm h LYS 259 CO 0.02 -0.38 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.34 3jsm h LEU 260 N -0.59 -0.39 -0.99 2.94 4.07 -0.95 -0.79 115.31 118.61 3jsm h LEU 260 Ca -0.01 0.05 0.21 0.00 0.08 0.00 0.00 57.88 58.20 3jsm h LEU 260 Cb 0.53 0.16 -0.11 0.00 1.08 0.00 0.00 40.66 42.32 3jsm h LEU 260 CO -0.04 -0.09 0.59 0.58 -1.08 0.00 0.00 178.44 178.40 3jsm h VAL 261 N -0.09 0.64 0.07 1.22 2.07 -1.26 -0.32 116.25 118.58 3jsm h VAL 261 Ca 0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3jsm h VAL 261 Cb 0.13 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 3jsm h VAL 261 CO -0.12 0.13 -0.21 1.23 0.02 0.00 0.00 177.57 178.62 3jsm h GLY 262 N 0.69 -1.16 0.36 2.17 0.00 0.49 0.21 103.07 105.83 3jsm h GLY 262 Ca 0.59 0.55 0.05 0.00 0.00 0.00 0.00 47.33 48.53 3jsm h GLY 262 CO -0.42 -0.38 -0.15 0.50 0.00 0.00 0.00 176.54 176.10 3jsm h LYS 263 N -0.31 -0.14 -0.83 4.80 1.57 -0.62 -1.26 116.57 119.78 3jsm h LYS 263 Ca -0.01 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3jsm h LYS 263 Cb 0.30 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.56 3jsm h LYS 263 CO -0.10 -0.09 0.42 -0.07 -0.57 0.00 0.00 179.45 179.04 3jsm h LEU 264 N -0.14 0.52 -1.15 2.94 3.38 -0.93 0.44 115.31 120.37 3jsm h LEU 264 Ca 0.12 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.20 3jsm h LEU 264 Cb 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3jsm h LEU 264 CO -0.30 0.23 0.58 0.78 0.09 0.00 0.00 178.44 179.82 3jsm h ASN 265 N 0.62 0.99 0.49 -0.43 2.35 0.36 -1.36 115.58 118.59 3jsm h ASN 265 Ca 0.44 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 56.06 3jsm h ASN 265 Cb 0.60 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3jsm h ASN 265 CO -0.35 0.70 -0.52 -0.25 -1.65 0.00 0.00 177.43 175.37 3jsm h TRP 266 N 1.16 0.04 0.00 1.19 2.91 0.83 -2.87 115.95 119.20 3jsm h TRP 266 Ca 0.33 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.28 3jsm h TRP 266 Cb -0.09 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.54 3jsm h TRP 266 CO -0.00 0.54 -0.30 0.00 -1.03 0.00 0.00 178.44 177.66 3jsm h ALA 267 N 1.46 0.82 0.00 2.65 0.00 0.03 -3.32 119.26 120.90 3jsm h ALA 267 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3jsm h ALA 267 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3jsm h ALA 267 CO 0.07 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 3jsm n SER 268 N -3.16 0.00 0.10 0.00 3.41 -0.59 -1.22 113.62 112.16 3jsm n SER 268 Ca 0.03 -0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.56 3jsm n SER 268 Cb 0.64 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.71 3jsm n SER 268 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3jsm h GLN 269 N 0.00 0.00 0.00 4.33 3.07 -1.69 -3.01 115.11 117.80 3jsm h GLN 269 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3jsm h GLN 269 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3jsm h GLN 269 CO 0.00 0.00 -0.32 1.51 0.09 0.00 0.00 178.83 180.11 3jsm n ILE 270 N -2.48 0.00 -2.53 1.86 0.13 -0.77 -0.89 119.36 114.69 3jsm n ILE 270 Ca 0.02 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.24 3jsm n ILE 270 Cb 0.50 -0.21 -0.02 0.00 -0.84 0.00 0.00 39.64 39.06 3jsm n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3jsm s TYR 271 N -1.37 2.84 0.38 9.51 2.02 -0.36 -4.75 117.35 125.62 3jsm s TYR 271 Ca 0.00 0.92 -0.25 0.00 -0.37 0.00 0.00 57.07 57.37 3jsm s TYR 271 Cb 0.00 -4.00 -0.09 0.00 -0.40 0.00 0.00 41.96 37.47 3jsm s TYR 271 CO 0.00 -1.33 1.06 -1.25 -1.57 0.00 0.00 175.55 172.45 3jsm s PRO 272 N 4.15 4.23 -0.25 -1.71 0.04 -1.26 -4.10 135.00 136.10 3jsm s PRO 272 Ca 0.51 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3jsm s PRO 272 Cb -0.13 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3jsm s PRO 272 CO 0.24 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.60 3jsm n GLY 273 N 0.48 0.55 3.78 0.56 0.00 -1.26 -5.03 105.19 104.27 3jsm n GLY 273 Ca 0.04 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 3jsm n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jsm s ILE 274 N -2.09 3.58 -0.02 -0.61 -1.09 -1.26 -4.95 121.20 114.77 3jsm s ILE 274 Ca 0.00 1.13 -0.09 0.00 -2.23 0.00 0.00 60.65 59.46 3jsm s ILE 274 Cb 0.00 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 3jsm s ILE 274 CO 0.00 -0.07 0.19 -1.59 -1.23 0.00 0.00 174.94 172.23 3jsm s LYS 275 N -2.79 0.46 0.00 2.79 -2.85 -1.26 -4.94 119.74 111.15 3jsm s LYS 275 Ca 0.62 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.41 3jsm s LYS 275 Cb -0.22 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 3jsm s LYS 275 CO 0.27 -0.11 0.08 1.33 0.10 0.00 0.00 175.35 177.02 3jsm n VAL 276 N 1.81 0.00 -0.34 1.79 0.24 -1.26 -4.90 118.33 115.67 3jsm n VAL 276 Ca -0.20 -0.14 0.01 0.00 -2.04 0.00 0.00 64.34 61.98 3jsm n VAL 276 Cb 0.56 1.42 0.07 0.00 -1.47 0.00 0.00 33.84 34.43 3jsm n VAL 276 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3jsm n ARG 277 N -0.12 -0.16 0.12 7.34 3.00 -1.26 -0.34 116.66 125.24 3jsm n ARG 277 Ca 0.00 1.41 -0.03 0.00 -0.00 0.00 0.00 57.85 59.23 3jsm n ARG 277 Cb 0.11 -2.09 0.15 0.00 0.00 0.00 0.00 32.46 30.62 3jsm n ARG 277 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3jsm h GLN 278 N 0.00 0.10 0.04 -0.14 1.08 -1.91 0.60 115.11 114.87 3jsm h GLN 278 Ca 0.36 -0.07 -0.23 0.00 -1.45 0.00 0.00 58.65 57.26 3jsm h GLN 278 Cb 0.59 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3jsm h GLN 278 CO -0.92 0.68 -1.01 1.25 -0.95 0.00 0.00 178.83 177.89 3jsm h LEU 279 N 0.07 0.35 0.05 1.46 5.85 -1.23 -3.23 115.31 118.63 3jsm h LEU 279 Ca -0.01 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3jsm h LEU 279 Cb 1.11 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3jsm h LEU 279 CO 0.09 1.16 -0.02 0.77 -0.34 0.00 0.00 178.44 180.09 3jsm h SER 280 N 0.12 -0.06 -1.37 1.25 4.64 -0.63 -3.15 113.55 114.35 3jsm h SER 280 Ca -0.08 -0.58 0.44 0.00 -0.47 0.00 0.00 61.79 61.11 3jsm h SER 280 Cb 1.68 0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.68 3jsm h SER 280 CO 0.16 0.66 0.93 1.17 -0.87 0.00 0.00 176.83 178.89 3jsm n LYS 281 N -4.76 -0.02 0.00 4.77 4.81 0.20 0.25 118.16 123.40 3jsm n LYS 281 Ca -0.07 1.02 0.01 0.00 -0.87 0.00 0.00 58.31 58.40 3jsm n LYS 281 Cb 0.31 -2.13 0.07 0.00 0.02 0.00 0.00 35.03 33.30 3jsm n LYS 281 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3jsm n LEU 282 N -4.13 0.00 -2.57 3.14 7.94 -1.19 -3.09 117.00 117.11 3jsm n LEU 282 Ca 0.36 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 55.09 3jsm n LEU 282 Cb 1.49 0.00 0.02 0.00 0.53 0.00 0.00 43.42 45.46 3jsm n LEU 282 CO 0.24 0.00 0.03 0.18 -1.11 0.00 0.00 177.39 176.73 3jsm n LEU 283 N -0.66 2.96 -0.11 -1.96 4.77 0.68 -4.82 117.00 117.86 3jsm n LEU 283 Ca 0.02 -4.35 -0.13 0.00 -0.03 0.00 0.00 56.01 51.52 3jsm n LEU 283 Cb 0.01 0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 3jsm n LEU 283 CO 0.01 1.84 -1.22 0.54 -1.33 0.00 0.00 177.39 177.23 3jsm n ARG 284 N -0.29 0.70 -2.41 3.23 1.74 -1.18 -4.78 116.66 113.68 3jsm n ARG 284 Ca 0.23 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.96 3jsm n ARG 284 Cb 0.76 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 3jsm n ARG 284 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3jsm s GLY 285 N -5.85 0.73 -0.16 -0.13 0.00 -1.26 -4.93 107.32 95.70 3jsm s GLY 285 Ca -0.20 -1.28 -0.34 0.00 0.00 0.00 0.00 44.72 42.91 3jsm s GLY 285 CO 0.73 2.86 1.99 -1.30 0.00 0.00 0.00 173.10 177.38 3jsm n THR 286 N 6.67 0.47 -3.73 0.90 -2.24 -1.26 -4.92 114.28 110.17 3jsm n THR 286 Ca 0.11 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 3jsm n THR 286 Cb 0.50 -1.91 -0.00 0.00 -2.10 0.00 0.00 70.33 66.81 3jsm n THR 286 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3jsm n LYS 287 N 7.22 0.58 -1.71 -0.78 4.76 -1.26 -5.13 118.16 121.84 3jsm n LYS 287 Ca 0.27 -1.68 -0.43 0.00 -2.87 0.00 0.00 58.31 53.60 3jsm n LYS 287 Cb 0.30 1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 35.26 3jsm n LYS 287 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3jsm n ALA 288 N -1.45 2.11 0.38 7.82 0.00 -1.26 -4.81 120.51 123.29 3jsm n ALA 288 Ca -0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3jsm n ALA 288 Cb 0.39 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.42 3jsm n ALA 288 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3jsm n LEU 289 N 2.74 3.70 0.00 0.00 4.32 -1.26 -0.52 117.00 125.98 3jsm n LEU 289 Ca 0.12 -1.75 0.00 0.00 -0.02 0.00 0.00 56.01 54.36 3jsm n LEU 289 Cb 0.34 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 3jsm n LEU 289 CO 0.64 0.66 0.00 0.35 -1.22 0.00 0.00 177.39 177.82 3jsm n THR 290 N 0.93 0.00 -2.16 -5.08 -2.24 -1.26 -3.74 114.28 100.73 3jsm n THR 290 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3jsm n THR 290 Cb 0.47 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 3jsm n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3jsm s GLU 291 N 0.00 4.20 -0.01 -0.78 2.12 0.32 -4.76 118.70 119.79 3jsm s GLU 291 Ca 0.00 2.00 -0.30 0.00 0.36 0.00 0.00 54.97 57.03 3jsm s GLU 291 Cb 0.00 -3.90 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 3jsm s GLU 291 CO 0.00 -0.79 1.43 0.08 -0.54 0.00 0.00 175.26 175.44 3jsm s VAL 292 N 3.81 3.71 -0.03 3.70 1.01 -1.26 -2.60 120.40 128.74 3jsm s VAL 292 Ca 0.67 1.06 0.03 0.00 0.00 0.00 0.00 61.98 63.73 3jsm s VAL 292 Cb -0.29 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3jsm s VAL 292 CO 0.24 -0.02 -0.08 -0.51 0.00 0.00 0.00 175.10 174.73 3jsm s ILE 293 N 2.67 3.57 -0.06 2.22 2.07 0.98 -4.96 121.20 127.69 3jsm s ILE 293 Ca 0.65 -0.68 -0.23 0.00 -1.41 0.00 0.00 60.65 58.98 3jsm s ILE 293 Cb -0.31 -2.50 -0.04 0.00 0.13 0.00 0.00 42.46 39.73 3jsm s ILE 293 CO 0.26 0.49 0.67 -2.16 -1.91 0.00 0.00 174.94 172.29 3jsm s PRO 294 N -1.13 4.42 0.21 3.50 0.04 -1.26 -4.22 135.00 136.56 3jsm s PRO 294 Ca 0.15 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 3jsm s PRO 294 Cb -0.11 -3.43 -0.08 0.00 0.04 0.00 0.00 34.50 30.92 3jsm s PRO 294 CO 0.05 0.13 1.08 -0.51 0.04 0.00 0.00 177.00 177.78 3jsm s LEU 295 N 0.60 4.52 0.45 -3.56 1.43 -1.26 -5.04 118.68 115.82 3jsm s LEU 295 Ca 0.36 2.11 -0.09 0.00 -1.03 0.00 0.00 54.13 55.48 3jsm s LEU 295 Cb -0.18 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3jsm s LEU 295 CO 0.18 -0.16 0.81 0.42 0.23 0.00 0.00 176.35 177.82 3jsm s THR 296 N -0.56 4.81 0.09 5.49 -4.23 -1.26 -4.87 115.64 115.11 3jsm s THR 296 Ca 0.47 0.52 -0.30 0.00 -1.18 0.00 0.00 61.69 61.20 3jsm s THR 296 Cb -0.30 -3.79 -0.14 0.00 1.34 0.00 0.00 72.50 69.61 3jsm s THR 296 CO 0.36 -0.70 1.63 -0.08 -0.54 0.00 0.00 174.62 175.29 3jsm h GLU 297 N 0.75 -0.68 0.00 3.99 4.81 -1.98 0.25 114.58 121.72 3jsm h GLU 297 Ca -0.47 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3jsm h GLU 297 Cb 1.19 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3jsm h GLU 297 CO 0.63 -0.45 0.31 0.39 -0.73 0.00 0.00 179.01 179.16 3jsm n GLU 298 N -5.43 0.04 -0.10 1.92 4.71 -1.26 -0.07 120.64 120.45 3jsm n GLU 298 Ca -0.10 0.42 -0.17 0.00 -0.01 0.00 0.00 57.16 57.29 3jsm n GLU 298 Cb 0.33 -1.95 -0.08 0.00 -1.01 0.00 0.00 31.44 28.74 3jsm n GLU 298 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3jsm n ALA 299 N -1.40 1.63 -0.34 0.62 0.00 -0.56 -3.93 120.51 116.55 3jsm n ALA 299 Ca -0.00 -0.81 0.27 0.00 0.00 0.00 0.00 53.44 52.89 3jsm n ALA 299 Cb 0.32 0.14 0.56 0.00 0.00 0.00 0.00 19.45 20.47 3jsm n ALA 299 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3jsm h GLU 300 N -0.34 0.29 0.27 0.00 4.39 0.29 0.15 114.58 119.63 3jsm h GLU 300 Ca -0.47 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 3jsm h GLU 300 Cb 1.56 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 3jsm h GLU 300 CO -0.18 0.19 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.66 3jsm h LEU 301 N 0.29 -0.30 -2.11 1.33 3.38 -1.46 -2.85 115.31 113.60 3jsm h LEU 301 Ca 0.62 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.68 3jsm h LEU 301 Cb 1.77 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 3jsm h LEU 301 CO -0.28 0.02 0.32 1.05 0.09 0.00 0.00 178.44 179.64 3jsm h GLU 302 N -0.83 0.00 0.63 1.13 4.11 -1.50 0.32 114.58 118.44 3jsm h GLU 302 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 3jsm h GLU 302 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.53 3jsm h GLU 302 CO 0.06 0.00 -0.30 1.25 0.07 0.00 0.00 179.01 180.09 3jsm h LEU 303 N 0.00 -0.72 -1.28 3.06 5.85 -0.77 -2.25 115.31 119.19 3jsm h LEU 303 Ca 0.12 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.97 3jsm h LEU 303 Cb 0.76 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 3jsm h LEU 303 CO -0.00 -0.35 0.55 0.00 -0.34 0.00 0.00 178.44 178.30 3jsm h ALA 304 N -1.27 1.72 0.23 1.25 0.00 -0.62 0.43 119.26 121.00 3jsm h ALA 304 Ca -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3jsm h ALA 304 Cb 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3jsm h ALA 304 CO 0.14 0.10 -0.11 0.93 0.00 0.00 0.00 179.25 180.31 3jsm h GLU 305 N 0.78 -0.29 0.14 0.00 5.08 -0.55 -1.60 114.58 118.14 3jsm h GLU 305 Ca 0.39 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3jsm h GLU 305 Cb 0.46 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3jsm h GLU 305 CO -0.16 -0.06 -0.31 -0.91 -1.00 0.00 0.00 179.01 176.57 3jsm h ASN 306 N -0.49 -0.91 -1.18 1.42 2.35 -0.65 0.96 115.58 117.08 3jsm h ASN 306 Ca -0.03 0.09 0.34 0.00 -0.55 0.00 0.00 56.30 56.15 3jsm h ASN 306 Cb 0.37 0.33 -0.05 0.00 0.05 0.00 0.00 38.32 39.02 3jsm h ASN 306 CO 0.05 -0.35 1.20 -1.14 -1.65 0.00 0.00 177.43 175.54 3jsm n ARG 307 N -4.23 0.01 -0.01 0.81 0.63 0.14 0.14 116.66 114.15 3jsm n ARG 307 Ca -0.06 0.98 -0.05 0.00 -0.92 0.00 0.00 57.85 57.80 3jsm n ARG 307 Cb 0.25 -2.40 -0.04 0.00 0.45 0.00 0.00 32.46 30.72 3jsm n ARG 307 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3jsm h GLU 308 N 0.00 -0.09 -1.07 -0.14 4.39 0.19 -3.32 114.58 114.54 3jsm h GLU 308 Ca 0.56 0.01 0.32 0.00 0.34 0.00 0.00 59.36 60.58 3jsm h GLU 308 Cb 2.96 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 31.50 3jsm h GLU 308 CO -0.01 0.19 0.65 0.82 -1.16 0.00 0.00 179.01 179.50 3jsm h ILE 309 N -1.00 0.36 0.00 3.13 2.04 0.21 1.00 117.51 123.25 3jsm h ILE 309 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3jsm h ILE 309 Cb 0.32 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3jsm h ILE 309 CO 0.02 0.06 0.00 0.18 0.00 0.00 0.00 178.15 178.41 3jsm n LEU 310 N -4.85 0.00 -0.05 1.44 4.77 -0.85 -3.03 117.00 114.43 3jsm n LEU 310 Ca 0.30 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 56.30 3jsm n LEU 310 Cb 1.00 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.74 3jsm n LEU 310 CO 0.17 -0.15 -0.47 0.11 -1.33 0.00 0.00 177.39 175.72 3jsm h LYS 311 N 0.00 0.12 -6.76 3.23 1.57 0.93 -3.45 116.57 112.20 3jsm h LYS 311 Ca 0.00 -0.20 -0.53 0.00 -1.87 0.00 0.00 60.65 58.05 3jsm h LYS 311 Cb 0.08 0.07 0.06 0.00 0.08 0.00 0.00 32.23 32.52 3jsm h LYS 311 CO 0.00 1.10 0.76 -1.83 -0.57 0.00 0.00 179.45 178.91 3jsm s GLU 312 N -2.42 4.26 0.38 3.15 -1.05 -1.17 -4.94 118.70 116.92 3jsm s GLU 312 Ca -0.24 2.32 -0.25 0.00 -0.15 0.00 0.00 54.97 56.65 3jsm s GLU 312 Cb 0.05 -3.10 -0.09 0.00 -0.44 0.00 0.00 34.13 30.55 3jsm s GLU 312 CO 0.68 -0.43 1.03 -1.25 0.95 0.00 0.00 175.26 176.25 3jsm s PRO 313 N -0.48 4.26 0.16 -4.83 0.04 -1.26 -5.01 135.00 127.89 3jsm s PRO 313 Ca 0.59 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 3jsm s PRO 313 Cb -0.42 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 3jsm s PRO 313 CO 0.44 -0.05 0.07 0.14 0.04 0.00 0.00 177.00 177.65 3jsm s VAL 314 N -1.64 0.19 0.37 -0.36 -7.23 -1.26 -5.18 120.40 105.29 3jsm s VAL 314 Ca 0.56 -1.95 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 3jsm s VAL 314 Cb -0.21 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.56 3jsm s VAL 314 CO 0.27 -0.32 0.73 -1.38 -0.31 0.00 0.00 175.10 174.09 3jsm s HIS 315 N -4.00 0.26 0.09 2.82 -3.43 -1.26 -4.78 115.29 104.99 3jsm s HIS 315 Ca 0.29 -0.84 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 3jsm s HIS 315 Cb 0.07 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.84 3jsm s HIS 315 CO 0.05 -1.46 -0.03 0.20 -2.00 0.00 0.00 174.74 171.50 3jsm s GLY 316 N -3.08 0.74 0.52 -1.38 0.00 0.13 -4.88 107.32 99.37 3jsm s GLY 316 Ca 0.18 -1.34 0.09 0.00 0.00 0.00 0.00 44.72 43.64 3jsm s GLY 316 CO 0.13 -1.40 0.69 0.14 0.00 0.00 0.00 173.10 172.65 3jsm s VAL 317 N -3.79 2.40 0.46 1.40 1.01 -0.90 -1.22 120.40 119.76 3jsm s VAL 317 Ca 0.13 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3jsm s VAL 317 Cb 0.07 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3jsm s VAL 317 CO -0.05 0.00 0.65 -0.31 0.00 0.00 0.00 175.10 175.39 3jsm s TYR 318 N -2.57 2.97 0.10 5.22 2.02 -1.26 -4.50 117.35 119.32 3jsm s TYR 318 Ca 0.58 -0.09 -0.27 0.00 -0.37 0.00 0.00 57.07 56.93 3jsm s TYR 318 Cb -0.07 -2.44 -0.06 0.00 -0.40 0.00 0.00 41.96 38.99 3jsm s TYR 318 CO 0.36 -0.51 0.83 -0.47 -1.57 0.00 0.00 175.55 174.19 3jsm s TYR 319 N -2.52 3.81 -0.37 2.71 5.04 -0.66 -4.91 117.35 120.45 3jsm s TYR 319 Ca 0.53 1.62 0.03 0.00 -2.44 0.00 0.00 57.07 56.81 3jsm s TYR 319 Cb -0.10 -2.88 0.10 0.00 0.35 0.00 0.00 41.96 39.43 3jsm s TYR 319 CO 0.36 0.32 0.09 0.34 -1.34 0.00 0.00 175.55 175.31 3jsm s ASP 320 N -0.32 4.78 0.65 4.32 -1.08 -1.26 -3.80 116.67 119.95 3jsm s ASP 320 Ca 0.40 -2.24 0.34 0.00 -0.52 0.00 0.00 52.55 50.53 3jsm s ASP 320 Cb -0.22 -1.65 1.87 0.00 -1.46 0.00 0.00 42.92 41.46 3jsm s ASP 320 CO 0.26 -0.38 2.09 1.55 0.52 0.00 0.00 175.17 179.21 3jsm h PRO 321 N 7.53 0.00 -0.57 4.34 0.13 -1.99 -1.95 132.00 139.50 3jsm h PRO 321 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3jsm h PRO 321 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3jsm h PRO 321 CO 0.56 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.20 3jsm n SER 322 N -3.15 2.37 -4.31 1.44 3.41 -1.26 -4.87 113.62 107.25 3jsm n SER 322 Ca -0.01 -2.20 -0.16 0.00 -0.26 0.00 0.00 58.87 56.24 3jsm n SER 322 Cb 0.29 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 3jsm n SER 322 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3jsm s LYS 323 N -1.67 1.32 0.44 4.33 2.20 -0.73 -5.14 119.74 120.48 3jsm s LYS 323 Ca 0.22 -1.68 -0.14 0.00 -0.36 0.00 0.00 55.97 54.02 3jsm s LYS 323 Cb 0.15 -0.46 -0.07 0.00 -1.51 0.00 0.00 37.83 35.93 3jsm s LYS 323 CO 0.11 -0.16 0.85 -0.51 -0.36 0.00 0.00 175.35 175.28 3jsm s ASP 324 N -3.29 6.61 -0.42 1.43 1.01 -1.26 -4.97 116.67 115.78 3jsm s ASP 324 Ca 0.30 1.34 -0.14 0.00 0.71 0.00 0.00 52.55 54.76 3jsm s ASP 324 Cb 0.06 -2.41 0.04 0.00 1.01 0.00 0.00 42.92 41.63 3jsm s ASP 324 CO 0.09 -0.44 0.31 -0.22 0.21 0.00 0.00 175.17 175.12 3jsm s LEU 325 N -3.79 5.20 -0.06 1.23 2.96 -1.26 -4.56 118.68 118.39 3jsm s LEU 325 Ca 0.55 -1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3jsm s LEU 325 Cb -0.10 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 3jsm s LEU 325 CO 0.29 -0.50 0.05 -0.63 -1.32 0.00 0.00 176.35 174.24 3jsm s ILE 326 N 1.63 4.67 -0.03 6.68 1.01 -0.17 0.05 121.20 135.05 3jsm s ILE 326 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3jsm s ILE 326 Cb -0.21 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.25 3jsm s ILE 326 CO 0.08 0.52 0.01 0.00 0.00 0.00 0.00 174.94 175.54 3jsm s ALA 327 N -1.02 0.25 -0.01 9.38 0.00 -0.70 -0.29 121.76 129.36 3jsm s ALA 327 Ca 0.17 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.39 3jsm s ALA 327 Cb -0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3jsm s ALA 327 CO 0.07 -0.07 -0.21 -2.00 0.00 0.00 0.00 175.76 173.54 3jsm s GLU 328 N 0.97 1.73 0.08 0.00 2.12 -0.88 -1.91 118.70 120.80 3jsm s GLU 328 Ca -0.09 -0.78 0.09 0.00 0.36 0.00 0.00 54.97 54.55 3jsm s GLU 328 Cb -0.13 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.55 3jsm s GLU 328 CO -0.02 0.46 -0.24 0.42 -0.54 0.00 0.00 175.26 175.34 3jsm s ILE 329 N -0.52 2.35 0.01 -3.70 1.09 -1.18 -2.27 121.20 116.98 3jsm s ILE 329 Ca 0.08 -1.48 0.03 0.00 -1.10 0.00 0.00 60.65 58.17 3jsm s ILE 329 Cb -0.08 -1.98 -0.01 0.00 -1.06 0.00 0.00 42.46 39.32 3jsm s ILE 329 CO -0.01 0.25 -0.08 -1.10 -0.10 0.00 0.00 174.94 173.90 3jsm s GLN 330 N -1.61 0.61 -0.28 2.79 1.11 0.29 -4.37 119.66 118.19 3jsm s GLN 330 Ca 0.13 -0.43 -0.29 0.00 0.01 0.00 0.00 55.36 54.78 3jsm s GLN 330 Cb -0.10 -0.55 0.01 0.00 -1.01 0.00 0.00 33.01 31.36 3jsm s GLN 330 CO 0.05 0.14 1.05 0.21 0.01 0.00 0.00 175.29 176.75 3jsm s LYS 331 N -0.61 4.14 0.00 2.91 2.20 -1.26 -1.21 119.74 125.90 3jsm s LYS 331 Ca -0.00 1.18 0.21 0.00 -0.36 0.00 0.00 55.97 56.99 3jsm s LYS 331 Cb -0.05 -3.70 0.53 0.00 -1.51 0.00 0.00 37.83 33.10 3jsm s LYS 331 CO 0.00 -0.79 1.45 1.04 -0.36 0.00 0.00 175.35 176.69 3jsm n GLN 332 N 6.63 2.32 0.00 4.03 6.02 -0.69 -4.78 117.38 130.92 3jsm n GLN 332 Ca 0.12 -2.02 0.00 0.00 -0.01 0.00 0.00 57.00 55.09 3jsm n GLN 332 Cb 0.47 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.25 3jsm n GLN 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jsm n GLY 333 N 1.42 -0.21 3.78 1.08 0.00 -1.21 -4.83 105.19 105.21 3jsm n GLY 333 Ca 0.19 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 3jsm n GLY 333 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsm n GLN 334 N 0.39 -1.15 0.00 1.61 10.64 -1.26 -1.99 117.38 125.62 3jsm n GLN 334 Ca 0.00 0.62 0.00 0.00 -1.83 0.00 0.00 57.00 55.79 3jsm n GLN 334 Cb 0.00 -2.92 0.00 0.00 -0.86 0.00 0.00 30.24 26.46 3jsm n GLN 334 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3jsm n GLY 335 N -1.78 1.90 3.80 2.61 0.00 -1.26 -4.98 105.19 105.48 3jsm n GLY 335 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3jsm n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jsm s GLN 336 N 0.00 3.18 0.12 1.61 -0.21 -0.84 -4.68 119.66 118.84 3jsm s GLN 336 Ca 0.00 1.21 -0.10 0.00 0.02 0.00 0.00 55.36 56.49 3jsm s GLN 336 Cb 0.00 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 32.00 3jsm s GLN 336 CO 0.00 -0.92 0.27 -1.58 -2.12 0.00 0.00 175.29 170.93 3jsm s TRP 337 N -2.49 0.18 0.03 0.91 0.52 -0.63 -1.70 118.94 115.75 3jsm s TRP 337 Ca 0.64 -0.57 0.00 0.00 0.02 0.00 0.00 56.10 56.20 3jsm s TRP 337 Cb -0.17 0.01 -0.02 0.00 -1.15 0.00 0.00 33.47 32.14 3jsm s TRP 337 CO 0.39 -0.64 -0.04 0.99 0.02 0.00 0.00 176.95 177.67 3jsm s THR 338 N -3.89 0.22 0.13 2.01 2.01 -0.35 -2.75 115.64 113.02 3jsm s THR 338 Ca 0.09 -1.00 -0.10 0.00 0.31 0.00 0.00 61.69 60.99 3jsm s THR 338 Cb 0.04 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.14 3jsm s THR 338 CO -0.07 -0.50 0.27 -0.72 -0.69 0.00 0.00 174.62 172.92 3jsm s TYR 339 N -1.57 0.16 -0.01 4.92 1.13 0.25 -0.55 117.35 121.68 3jsm s TYR 339 Ca -0.13 -0.54 -0.05 0.00 -1.41 0.00 0.00 57.07 54.93 3jsm s TYR 339 Cb -0.09 0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.79 3jsm s TYR 339 CO -0.01 -0.65 0.11 1.14 -2.51 0.00 0.00 175.55 173.63 3jsm s GLN 340 N -3.89 0.35 -0.24 -3.49 0.00 -0.96 -0.61 119.66 110.81 3jsm s GLN 340 Ca 0.09 -0.23 0.00 0.00 -0.00 0.00 0.00 55.36 55.22 3jsm s GLN 340 Cb 0.04 0.15 0.04 0.00 0.00 0.00 0.00 33.01 33.23 3jsm s GLN 340 CO -0.07 -0.07 -0.10 0.42 0.00 0.00 0.00 175.29 175.46 3jsm s ILE 341 N -0.90 2.48 0.27 3.63 1.01 0.10 -2.07 121.20 125.72 3jsm s ILE 341 Ca -0.10 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.34 3jsm s ILE 341 Cb -0.06 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3jsm s ILE 341 CO 0.01 0.18 0.07 0.00 0.00 0.00 0.00 174.94 175.20 3jsm n TYR 342 N 4.58 0.22 0.00 3.97 4.11 0.60 0.09 117.16 130.73 3jsm n TYR 342 Ca -0.16 -1.63 0.00 0.00 -0.00 0.00 0.00 57.90 56.11 3jsm n TYR 342 Cb 0.46 -0.05 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 3jsm n TYR 342 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3jsm n GLN 343 N -0.62 0.60 -4.44 -3.48 6.02 -1.26 -1.00 117.38 113.20 3jsm n GLN 343 Ca -0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.63 3jsm n GLN 343 Cb 0.39 -0.66 -0.17 0.00 1.02 0.00 0.00 30.24 30.82 3jsm n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3jsm s GLU 344 N -1.33 2.48 -0.12 -1.09 0.41 -1.26 -4.86 118.70 112.93 3jsm s GLU 344 Ca 0.00 -0.65 -0.41 0.00 -0.41 0.00 0.00 54.97 53.50 3jsm s GLU 344 Cb 0.00 -2.09 -0.20 0.00 -1.78 0.00 0.00 34.13 30.06 3jsm s GLU 344 CO 0.00 -0.08 1.18 -2.30 -0.49 0.00 0.00 175.26 173.57 3jsm n PRO 345 N 4.27 0.00 0.00 0.39 -0.02 -1.26 -1.03 135.00 137.34 3jsm n PRO 345 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3jsm n PRO 345 Cb 0.51 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3jsm n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3jsm n PHE 346 N 2.06 0.00 -3.33 6.00 3.72 -1.26 -4.89 117.46 119.75 3jsm n PHE 346 Ca 0.22 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.22 3jsm n PHE 346 Cb 0.05 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 3jsm n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3jsm n LYS 347 N -1.99 3.49 -3.02 -1.08 5.02 -0.20 -5.05 118.16 115.33 3jsm n LYS 347 Ca 0.00 -4.51 -0.32 0.00 -2.02 0.00 0.00 58.31 51.46 3jsm n LYS 347 Cb 0.00 -2.48 -0.06 0.00 -0.02 0.00 0.00 35.03 32.48 3jsm n LYS 347 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jsm s ASN 348 N -0.32 6.74 0.06 4.39 2.20 -1.26 -4.10 114.94 122.65 3jsm s ASN 348 Ca 0.31 1.31 -0.08 0.00 -0.94 0.00 0.00 52.86 53.46 3jsm s ASN 348 Cb -0.03 -2.39 -0.30 0.00 -2.00 0.00 0.00 41.25 36.53 3jsm s ASN 348 CO -0.03 -0.28 1.10 -0.07 -2.94 0.00 0.00 177.10 174.88 3jsm h LEU 349 N 1.97 0.58 -7.54 3.54 4.07 -0.58 -2.38 115.31 114.97 3jsm h LEU 349 Ca -0.48 -0.62 0.00 0.00 0.08 0.00 0.00 57.88 56.87 3jsm h LEU 349 Cb 1.18 -0.19 -0.09 0.00 1.08 0.00 0.00 40.66 42.63 3jsm h LEU 349 CO 0.64 1.48 0.13 -0.75 -1.08 0.00 0.00 178.44 178.86 3jsm s LYS 350 N -2.66 1.44 0.18 1.13 2.20 -1.05 -4.28 119.74 116.71 3jsm s LYS 350 Ca -0.06 -0.77 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 3jsm s LYS 350 Cb 0.06 0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 36.90 3jsm s LYS 350 CO 0.91 -0.63 0.05 0.95 -0.36 0.00 0.00 175.35 176.27 3jsm s THR 351 N -3.85 0.42 0.01 3.43 -4.23 -0.07 0.00 115.64 111.36 3jsm s THR 351 Ca 0.07 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.32 3jsm s THR 351 Cb -0.02 -2.26 0.11 0.00 1.34 0.00 0.00 72.50 71.67 3jsm s THR 351 CO -0.04 -0.31 1.25 -0.83 -0.54 0.00 0.00 174.62 174.15 3jsm s GLY 352 N -3.17 -0.30 0.45 3.99 0.00 0.22 -3.98 107.32 104.52 3jsm s GLY 352 Ca 0.29 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.48 3jsm s GLY 352 CO 0.06 1.46 0.10 -1.59 0.00 0.00 0.00 173.10 173.13 3jsm s LYS 353 N -2.38 2.05 -0.26 2.90 -2.85 -1.26 -0.58 119.74 117.35 3jsm s LYS 353 Ca 0.18 -2.28 -0.07 0.00 -1.00 0.00 0.00 55.97 52.80 3jsm s LYS 353 Cb 0.03 -0.86 0.12 0.00 -2.06 0.00 0.00 37.83 35.06 3jsm s LYS 353 CO -0.02 -0.48 0.53 -0.47 0.10 0.00 0.00 175.35 175.01 3jsm s TYR 354 N -3.10 -1.14 -0.02 1.78 5.04 -1.11 -4.94 117.35 113.87 3jsm s TYR 354 Ca 0.17 1.81 0.03 0.00 -2.44 0.00 0.00 57.07 56.63 3jsm s TYR 354 Cb 0.01 0.52 0.04 0.00 0.35 0.00 0.00 41.96 42.88 3jsm s TYR 354 CO 0.11 -0.64 0.96 0.00 -1.34 0.00 0.00 175.55 174.64 3jsm n ALA 355 N 5.42 1.91 -2.70 3.97 0.00 -1.26 -1.61 120.51 126.23 3jsm n ALA 355 Ca -0.08 -1.17 -0.42 0.00 0.00 0.00 0.00 53.44 51.76 3jsm n ALA 355 Cb 0.50 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3jsm n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3jsm s ARG 356 N -0.45 4.51 -1.14 0.00 3.52 -1.26 -4.82 118.95 119.32 3jsm s ARG 356 Ca 0.05 1.42 -0.10 0.00 -0.13 0.00 0.00 55.73 56.97 3jsm s ARG 356 Cb 0.04 -3.49 0.26 0.00 -1.56 0.00 0.00 34.95 30.20 3jsm s ARG 356 CO 0.00 -0.14 1.23 -1.33 -0.81 0.00 0.00 175.30 174.25 3jsm n MET 357 N 4.28 3.59 -2.28 5.12 2.81 -1.26 -5.00 117.12 124.38 3jsm n MET 357 Ca 0.07 -4.33 -0.43 0.00 -1.81 0.00 0.00 57.70 51.20 3jsm n MET 357 Cb 0.50 -2.65 -0.02 0.00 -0.71 0.00 0.00 33.22 30.34 3jsm n MET 357 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3jsm s ARG 358 N -0.83 4.01 0.00 0.03 0.52 -1.26 -4.81 118.95 116.61 3jsm s ARG 358 Ca 0.33 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 3jsm s ARG 358 Cb -0.07 -3.90 0.00 0.00 0.52 0.00 0.00 34.95 31.50 3jsm s ARG 358 CO -0.05 -1.02 0.00 0.41 0.02 0.00 0.00 175.30 174.67 3jsm n GLY 359 N 4.19 -0.84 0.00 -3.53 0.00 -1.26 -4.84 105.19 98.90 3jsm n GLY 359 Ca 0.16 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3jsm n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jsm n ALA 360 N -0.44 0.64 -3.40 4.61 0.00 -1.26 -4.95 120.51 115.70 3jsm n ALA 360 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3jsm n ALA 360 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3jsm n ALA 360 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3jsm s HIS 361 N -0.60 0.93 0.33 0.00 3.76 -1.26 -1.96 115.29 116.50 3jsm s HIS 361 Ca 0.00 -2.09 0.05 0.00 -0.15 0.00 0.00 55.06 52.86 3jsm s HIS 361 Cb 0.00 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 3jsm s HIS 361 CO 0.00 -0.84 0.19 0.95 -0.85 0.00 0.00 174.74 174.20 3jsm s THR 362 N 0.38 0.26 0.04 1.30 -4.23 -1.01 -4.85 115.64 107.53 3jsm s THR 362 Ca 0.28 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3jsm s THR 362 Cb -0.04 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 3jsm s THR 362 CO -0.14 0.00 0.00 -0.46 -0.54 0.00 0.00 174.62 173.49 3jsm n ASN 363 N -1.20 2.01 -0.00 3.99 0.23 -1.26 -2.39 115.26 116.65 3jsm n ASN 363 Ca 0.02 -1.19 0.14 0.00 -0.53 0.00 0.00 54.58 53.02 3jsm n ASN 363 Cb 0.64 0.03 0.57 0.00 -2.08 0.00 0.00 39.78 38.94 3jsm n ASN 363 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3jsm n ASP 364 N -1.12 0.08 0.00 0.53 9.92 -1.26 -2.57 116.55 122.13 3jsm n ASP 364 Ca -0.02 0.37 -0.10 0.00 -0.53 0.00 0.00 54.79 54.51 3jsm n ASP 364 Cb 0.05 -0.38 -0.14 0.00 -0.64 0.00 0.00 41.12 40.02 3jsm n ASP 364 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3jsm h VAL 365 N 0.00 1.01 0.19 2.53 2.07 -1.96 -1.55 116.25 118.54 3jsm h VAL 365 Ca 0.00 -2.81 -0.01 0.00 0.82 0.00 0.00 66.70 64.71 3jsm h VAL 365 Cb 0.50 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3jsm h VAL 365 CO 0.00 0.64 -0.09 0.11 0.02 0.00 0.00 177.57 178.25 3jsm h LYS 366 N 0.01 -0.24 -0.10 1.57 1.57 -1.95 -2.16 116.57 115.26 3jsm h LYS 366 Ca -0.25 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3jsm h LYS 366 Cb 1.97 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.33 3jsm h LYS 366 CO 0.10 -0.00 0.03 1.96 -0.57 0.00 0.00 179.45 180.97 3jsm h GLN 367 N -0.46 0.08 -0.99 3.15 4.20 -1.59 -0.19 115.11 119.32 3jsm h GLN 367 Ca -0.03 -0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.90 3jsm h GLN 367 Cb 0.35 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.02 3jsm h GLN 367 CO 0.04 0.05 0.63 1.25 -0.67 0.00 0.00 178.83 180.14 3jsm h LEU 368 N 0.09 0.54 -0.05 1.46 5.85 -1.17 0.32 115.31 122.36 3jsm h LEU 368 Ca 0.04 0.08 -0.26 0.00 0.84 0.00 0.00 57.88 58.58 3jsm h LEU 368 Cb 0.02 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.05 3jsm h LEU 368 CO -0.05 0.17 -1.05 0.71 -0.34 0.00 0.00 178.44 177.88 3jsm h THR 369 N 0.51 1.35 -0.85 1.05 1.35 -0.74 -1.82 112.91 113.76 3jsm h THR 369 Ca 0.55 -2.42 0.16 0.00 -0.55 0.00 0.00 66.41 64.15 3jsm h THR 369 Cb 1.22 2.49 -0.06 0.00 -1.73 0.00 0.00 68.15 70.06 3jsm h THR 369 CO -0.29 0.73 0.56 -0.33 -0.25 0.00 0.00 175.52 175.94 3jsm h GLU 370 N 0.28 0.49 0.08 4.72 5.08 0.14 -1.17 114.58 124.20 3jsm h GLU 370 Ca -0.12 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3jsm h GLU 370 Cb 1.70 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3jsm h GLU 370 CO 0.19 0.33 -0.04 0.00 -1.00 0.00 0.00 179.01 178.49 3jsm h ALA 371 N 1.62 -0.11 -1.32 3.43 0.00 -0.96 -2.91 119.26 119.01 3jsm h ALA 371 Ca 0.43 -0.28 0.38 0.00 0.00 0.00 0.00 54.91 55.44 3jsm h ALA 371 Cb 0.91 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3jsm h ALA 371 CO -0.17 -0.18 0.93 0.28 0.00 0.00 0.00 179.25 180.11 3jsm h VAL 372 N -0.87 0.32 0.18 0.00 2.07 -0.71 0.02 116.25 117.26 3jsm h VAL 372 Ca -0.01 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3jsm h VAL 372 Cb 0.59 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3jsm h VAL 372 CO 0.02 0.01 -0.08 1.56 0.02 0.00 0.00 177.57 179.10 3jsm h GLN 373 N 0.07 -0.23 -0.98 1.57 7.50 -1.15 -2.00 115.11 119.89 3jsm h GLN 373 Ca 0.67 0.02 0.22 0.00 0.50 0.00 0.00 58.65 60.05 3jsm h GLN 373 Cb 2.46 0.05 -0.19 0.00 0.05 0.00 0.00 27.48 29.86 3jsm h GLN 373 CO -0.10 -0.15 -0.17 -0.22 -1.50 0.00 0.00 178.83 176.69 3jsm h LYS 374 N -0.27 0.00 0.00 1.46 1.63 -0.86 0.82 116.57 119.34 3jsm h LYS 374 Ca -0.02 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3jsm h LYS 374 Cb 0.18 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3jsm h LYS 374 CO 0.04 0.00 -0.11 0.82 -3.45 0.00 0.00 179.45 176.76 3jsm h ILE 375 N 0.00 0.48 0.00 2.00 2.04 -1.17 0.66 117.51 121.53 3jsm h ILE 375 Ca 0.51 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3jsm h ILE 375 Cb 0.87 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3jsm h ILE 375 CO -0.99 0.10 -0.02 0.74 0.00 0.00 0.00 178.15 177.99 3jsm h THR 376 N 0.00 0.00 -0.12 -0.27 2.02 0.14 -2.15 112.91 112.53 3jsm h THR 376 Ca -0.00 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.84 3jsm h THR 376 Cb 0.34 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3jsm h THR 376 CO 0.01 0.00 -0.07 0.41 0.37 0.00 0.00 175.52 176.25 3jsm n THR 377 N -2.97 -0.08 -0.24 3.16 -1.04 -0.54 0.58 114.28 113.15 3jsm n THR 377 Ca -0.00 1.22 -0.05 0.00 -2.04 0.00 0.00 64.05 63.17 3jsm n THR 377 Cb 0.01 -1.60 -0.00 0.00 -1.82 0.00 0.00 70.33 66.92 3jsm n THR 377 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3jsm h GLU 378 N 0.00 -0.14 -0.04 -2.82 4.81 -1.03 0.50 114.58 115.87 3jsm h GLU 378 Ca 0.02 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3jsm h GLU 378 Cb 0.05 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3jsm h GLU 378 CO -0.11 -0.09 0.04 1.03 -0.73 0.00 0.00 179.01 179.14 3jsm h SER 379 N -0.15 0.00 -0.00 1.04 0.87 0.34 -1.40 113.55 114.25 3jsm h SER 379 Ca 0.24 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 3jsm h SER 379 Cb 0.56 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3jsm h SER 379 CO -0.75 0.00 -0.35 0.40 -0.53 0.00 0.00 176.83 175.60 3jsm h ILE 380 N 0.00 1.51 -0.84 2.23 2.04 0.50 -1.32 117.51 121.63 3jsm h ILE 380 Ca 0.02 -1.98 0.21 0.00 1.00 0.00 0.00 64.86 64.11 3jsm h ILE 380 Cb 0.09 2.71 -0.13 0.00 -0.74 0.00 0.00 36.82 38.75 3jsm h ILE 380 CO -0.00 0.55 0.23 0.58 0.00 0.00 0.00 178.15 179.51 3jsm h VAL 381 N -0.38 0.38 0.14 1.67 2.07 0.07 2.02 116.25 122.21 3jsm h VAL 381 Ca -0.04 -0.08 -0.36 0.00 0.82 0.00 0.00 66.70 67.04 3jsm h VAL 381 Cb 1.09 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3jsm h VAL 381 CO 0.07 0.04 -1.90 0.40 0.02 0.00 0.00 177.57 176.20 3jsm h ILE 382 N 0.24 0.71 0.00 4.57 2.04 -1.47 -3.41 117.51 120.19 3jsm h ILE 382 Ca 0.51 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 64.00 3jsm h ILE 382 Cb 0.99 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 3jsm h ILE 382 CO -0.61 0.87 -0.88 0.79 0.00 0.00 0.00 178.15 178.32 3jsm n TRP 383 N -3.55 0.00 -2.25 1.37 8.01 -0.51 -4.79 117.44 115.72 3jsm n TRP 383 Ca -0.30 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 55.72 3jsm n TRP 383 Cb 1.04 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.31 30.23 3jsm n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3jsm n GLY 384 N 1.52 -0.17 3.29 6.99 0.00 0.68 -4.96 105.19 112.54 3jsm n GLY 384 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 3jsm n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jsm s LYS 385 N -4.72 1.52 -0.06 1.61 2.20 -1.24 -4.97 119.74 114.08 3jsm s LYS 385 Ca 0.00 -1.86 0.02 0.00 -0.36 0.00 0.00 55.97 53.77 3jsm s LYS 385 Cb 0.00 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 3jsm s LYS 385 CO 0.00 -0.47 -0.11 -0.08 -0.36 0.00 0.00 175.35 174.33 3jsm s THR 386 N -3.72 1.03 0.83 3.43 -1.32 -1.26 -2.71 115.64 111.91 3jsm s THR 386 Ca 0.38 -0.41 -0.11 0.00 -1.21 0.00 0.00 61.69 60.34 3jsm s THR 386 Cb 0.05 -0.96 0.09 0.00 -1.51 0.00 0.00 72.50 70.18 3jsm s THR 386 CO 0.18 0.33 1.12 -2.84 -2.21 0.00 0.00 174.62 171.20 3jsm s PRO 387 N 0.73 1.75 -0.10 7.08 0.02 -1.26 -4.87 135.00 138.35 3jsm s PRO 387 Ca -0.14 1.35 -0.12 0.00 0.02 0.00 0.00 61.00 62.11 3jsm s PRO 387 Cb -0.15 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 3jsm s PRO 387 CO 0.03 -2.05 0.28 0.15 -0.33 0.00 0.00 177.00 175.08 3jsm s LYS 388 N -4.75 3.92 0.13 5.54 1.02 0.11 -4.74 119.74 120.96 3jsm s LYS 388 Ca 0.64 0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.77 3jsm s LYS 388 Cb -0.20 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 3jsm s LYS 388 CO 0.56 0.53 0.22 -0.06 -0.92 0.00 0.00 175.35 175.68 3jsm s PHE 389 N -0.43 3.40 -0.19 3.18 0.08 -0.93 -1.73 117.98 121.38 3jsm s PHE 389 Ca 0.18 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.35 3jsm s PHE 389 Cb -0.14 -1.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3jsm s PHE 389 CO 0.07 0.53 -0.09 0.15 -0.10 0.00 0.00 175.22 175.78 3jsm s LYS 390 N -2.99 1.90 0.00 0.44 1.02 -0.80 -1.22 119.74 118.08 3jsm s LYS 390 Ca 0.33 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.65 3jsm s LYS 390 Cb -0.11 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 3jsm s LYS 390 CO 0.27 -0.42 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.55 3jsm s LEU 391 N 1.46 2.08 -1.54 3.17 1.43 -0.12 -3.11 118.68 122.05 3jsm s LEU 391 Ca -0.00 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 3jsm s LEU 391 Cb -0.16 -1.11 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 3jsm s LEU 391 CO -0.08 0.25 3.00 -2.65 0.23 0.00 0.00 176.35 177.10 3jsm n PRO 392 N 2.34 3.62 -3.56 1.29 -0.02 -1.26 -0.91 135.00 136.50 3jsm n PRO 392 Ca -0.16 -2.13 -0.00 0.00 -2.02 0.00 0.00 63.50 59.19 3jsm n PRO 392 Cb 0.53 -2.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 3jsm n PRO 392 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3jsm s ILE 393 N 2.11 -0.89 0.13 4.25 2.07 -1.26 0.10 121.20 127.71 3jsm s ILE 393 Ca 0.70 0.00 -0.34 0.00 -1.41 0.00 0.00 60.65 59.60 3jsm s ILE 393 Cb 0.19 -1.00 -0.17 0.00 0.13 0.00 0.00 42.46 41.61 3jsm s ILE 393 CO -0.06 0.00 1.04 0.00 -1.91 0.00 0.00 174.94 174.02 3jsm n GLN 394 N 5.36 0.69 0.00 3.50 1.13 -1.26 -4.75 117.38 122.05 3jsm n GLN 394 Ca -0.11 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 3jsm n GLN 394 Cb 0.50 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.18 3jsm n GLN 394 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3jsm n LYS 395 N 1.60 0.00 -0.07 -1.09 3.00 -1.26 -1.61 118.16 118.73 3jsm n LYS 395 Ca 0.17 0.23 -0.11 0.00 -0.00 0.00 0.00 58.31 58.59 3jsm n LYS 395 Cb 0.20 -1.53 -0.04 0.00 0.00 0.00 0.00 35.03 33.67 3jsm n LYS 395 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3jsm n GLU 396 N -1.20 0.43 -0.35 1.64 2.13 -1.26 -3.80 120.64 118.22 3jsm n GLU 396 Ca 0.00 0.17 0.31 0.00 0.66 0.00 0.00 57.16 58.30 3jsm n GLU 396 Cb 0.03 -1.24 0.52 0.00 0.27 0.00 0.00 31.44 31.02 3jsm n GLU 396 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3jsm n THR 397 N -4.18 -0.22 0.12 6.31 -1.04 -0.63 0.68 114.28 115.32 3jsm n THR 397 Ca -0.20 1.45 -0.08 0.00 -2.04 0.00 0.00 64.05 63.18 3jsm n THR 397 Cb 0.51 -2.38 -0.05 0.00 -1.82 0.00 0.00 70.33 66.60 3jsm n THR 397 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3jsm h TRP 398 N 0.00 -0.37 0.00 -1.42 2.91 -1.69 -2.36 115.95 113.02 3jsm h TRP 398 Ca 0.69 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.70 3jsm h TRP 398 Cb 2.15 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 30.92 3jsm h TRP 398 CO -0.01 -0.12 0.19 -1.91 -1.03 0.00 0.00 178.44 175.57 3jsm n GLU 399 N -5.04 0.06 -0.05 2.65 2.13 0.21 -0.80 120.64 119.80 3jsm n GLU 399 Ca -0.06 0.48 -0.01 0.00 0.66 0.00 0.00 57.16 58.22 3jsm n GLU 399 Cb 0.21 -1.87 -0.00 0.00 0.27 0.00 0.00 31.44 30.05 3jsm n GLU 399 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3jsm h THR 400 N 0.00 0.00 -0.20 6.31 2.02 -1.01 -3.24 112.91 116.79 3jsm h THR 400 Ca 0.00 -0.85 0.05 0.00 0.77 0.00 0.00 66.41 66.38 3jsm h THR 400 Cb 0.37 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 3jsm h THR 400 CO 0.00 0.00 -0.14 -0.25 0.37 0.00 0.00 175.52 175.50 3jsm h TRP 401 N -0.85 -0.35 -0.34 3.16 2.91 -0.41 -2.06 115.95 118.01 3jsm h TRP 401 Ca 0.00 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.94 3jsm h TRP 401 Cb 0.15 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 3jsm h TRP 401 CO -0.06 -0.21 -0.20 0.11 -1.03 0.00 0.00 178.44 177.05 3jsm h TRP 402 N -0.14 0.86 0.00 2.65 5.08 -1.58 0.27 115.95 123.08 3jsm h TRP 402 Ca 0.12 -0.22 0.00 0.00 1.08 0.00 0.00 58.89 59.86 3jsm h TRP 402 Cb 0.32 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 26.28 3jsm h TRP 402 CO -0.29 0.95 0.00 -2.37 -1.28 0.00 0.00 178.44 175.45 3jsm n THR 403 N -4.30 1.32 -0.01 0.12 5.66 -1.16 -2.55 114.28 113.37 3jsm n THR 403 Ca -0.03 0.33 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 3jsm n THR 403 Cb 0.42 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.03 3jsm n THR 403 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3jsm n GLU 404 N -1.52 2.84 -3.35 1.09 -0.58 -0.78 -5.02 120.64 113.33 3jsm n GLU 404 Ca 0.02 -0.25 -0.38 0.00 -0.42 0.00 0.00 57.16 56.13 3jsm n GLU 404 Cb 0.11 -0.75 -0.06 0.00 -0.57 0.00 0.00 31.44 30.18 3jsm n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3jsm s TYR 405 N -0.48 3.69 0.52 -0.32 5.04 0.91 -4.95 117.35 121.76 3jsm s TYR 405 Ca 0.00 1.07 0.31 0.00 -2.44 0.00 0.00 57.07 56.01 3jsm s TYR 405 Cb 0.00 -2.46 1.76 0.00 0.35 0.00 0.00 41.96 41.61 3jsm s TYR 405 CO 0.00 0.46 2.20 0.11 -1.34 0.00 0.00 175.55 176.98 3jsm h TRP 406 N 5.34 0.00 -2.97 4.97 0.09 -1.89 -3.42 115.95 118.07 3jsm h TRP 406 Ca -0.47 0.00 -0.61 0.00 0.09 0.00 0.00 58.89 57.89 3jsm h TRP 406 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.39 3jsm h TRP 406 CO 0.67 0.04 -0.34 -0.65 0.09 0.00 0.00 178.44 178.25 3jsm s GLN 407 N -4.37 3.64 -0.14 0.12 -0.21 -1.26 -5.05 119.66 112.38 3jsm s GLN 407 Ca -0.04 0.01 -0.29 0.00 0.02 0.00 0.00 55.36 55.06 3jsm s GLN 407 Cb 0.14 -3.06 -0.01 0.00 1.00 0.00 0.00 33.01 31.08 3jsm s GLN 407 CO 0.54 0.62 1.17 0.00 -2.12 0.00 0.00 175.29 175.51 3jsm s ALA 408 N -1.32 3.60 0.18 6.09 0.00 -1.26 -5.00 121.76 124.04 3jsm s ALA 408 Ca 0.29 0.43 0.09 0.00 0.00 0.00 0.00 51.96 52.77 3jsm s ALA 408 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3jsm s ALA 408 CO 0.16 -0.98 -0.19 0.99 0.00 0.00 0.00 175.76 175.75 3jsm s THR 409 N 2.93 1.92 0.06 0.00 2.01 -1.26 -5.16 115.64 116.14 3jsm s THR 409 Ca 0.52 -1.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.44 3jsm s THR 409 Cb -0.21 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.40 3jsm s THR 409 CO 0.15 -0.30 0.25 0.86 -0.69 0.00 0.00 174.62 174.89 3jsm s TRP 410 N -2.04 -0.01 -0.03 4.92 -0.00 -1.26 -5.01 118.94 115.50 3jsm s TRP 410 Ca 0.17 -0.23 -0.02 0.00 -0.00 0.00 0.00 56.10 56.02 3jsm s TRP 410 Cb -0.06 0.04 0.01 0.00 -0.00 0.00 0.00 33.47 33.46 3jsm s TRP 410 CO 0.07 -0.50 0.08 0.42 -0.00 0.00 0.00 176.95 177.02 3jsm s ILE 411 N -2.92 -0.01 0.00 5.86 1.01 -1.26 -4.99 121.20 118.88 3jsm s ILE 411 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3jsm s ILE 411 Cb 0.01 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.35 3jsm s ILE 411 CO -0.06 0.01 0.00 -2.65 0.00 0.00 0.00 174.94 172.25 3jsm n PRO 412 N 3.25 -0.73 -1.69 2.79 -0.02 -1.26 -4.89 135.00 132.45 3jsm n PRO 412 Ca -0.15 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.89 3jsm n PRO 412 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.03 3jsm n PRO 412 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3jsm n GLU 413 N -1.31 2.28 -3.65 -0.52 2.13 -1.26 -4.90 120.64 113.41 3jsm n GLU 413 Ca 0.00 0.82 -0.10 0.00 0.66 0.00 0.00 57.16 58.54 3jsm n GLU 413 Cb 0.00 -2.56 -0.03 0.00 0.27 0.00 0.00 31.44 29.11 3jsm n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3jsm s TRP 414 N 0.51 -0.25 0.05 4.31 1.48 -1.26 -2.18 118.94 121.61 3jsm s TRP 414 Ca 0.73 -0.06 -0.01 0.00 -1.06 0.00 0.00 56.10 55.70 3jsm s TRP 414 Cb -0.62 0.44 -0.04 0.00 -1.16 0.00 0.00 33.47 32.09 3jsm s TRP 414 CO 0.42 -0.89 -0.03 -1.21 -4.06 0.00 0.00 176.95 171.18 3jsm s GLU 415 N -3.83 0.60 0.17 3.25 2.02 -0.36 -4.95 118.70 115.60 3jsm s GLU 415 Ca 0.06 -1.16 -0.30 0.00 0.02 0.00 0.00 54.97 53.59 3jsm s GLU 415 Cb -0.01 0.15 -0.07 0.00 0.10 0.00 0.00 34.13 34.30 3jsm s GLU 415 CO -0.06 -0.09 0.95 0.12 0.02 0.00 0.00 175.26 176.20 3jsm s PHE 416 N -3.61 3.90 -0.29 1.61 5.36 -1.26 -0.95 117.98 122.73 3jsm s PHE 416 Ca 0.05 1.86 0.02 0.00 -0.96 0.00 0.00 56.93 57.89 3jsm s PHE 416 Cb 0.06 -3.02 0.08 0.00 -0.34 0.00 0.00 43.02 39.80 3jsm s PHE 416 CO -0.08 0.33 0.02 0.54 -1.46 0.00 0.00 175.22 174.56 3jsm s VAL 417 N -0.58 1.64 -1.06 3.12 0.11 -0.08 -4.79 120.40 118.76 3jsm s VAL 417 Ca 0.44 -1.68 -0.22 0.00 -2.93 0.00 0.00 61.98 57.60 3jsm s VAL 417 Cb -0.25 -2.09 -0.09 0.00 -1.53 0.00 0.00 36.38 32.42 3jsm s VAL 417 CO 0.31 -0.42 1.92 -3.20 -3.33 0.00 0.00 175.10 170.38 3jsm n ASN 418 N 4.56 3.11 -3.38 3.54 5.15 -1.26 -3.99 115.26 123.00 3jsm n ASN 418 Ca -0.04 -2.72 -0.26 0.00 -0.60 0.00 0.00 54.58 50.96 3jsm n ASN 418 Cb 0.43 -1.51 -0.09 0.00 -0.53 0.00 0.00 39.78 38.08 3jsm n ASN 418 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3jsm n THR 419 N 6.89 -0.15 -0.93 -0.44 5.66 -1.26 -5.12 114.28 118.93 3jsm n THR 419 Ca 0.47 -4.09 -0.35 0.00 -3.05 0.00 0.00 64.05 57.03 3jsm n THR 419 Cb 0.44 -1.90 0.07 0.00 -1.55 0.00 0.00 70.33 67.38 3jsm n THR 419 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3jsm n PRO 420 N 1.87 -0.16 -1.53 1.09 -0.04 -1.26 -4.73 135.00 130.24 3jsm n PRO 420 Ca 0.25 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 3jsm n PRO 420 Cb 0.47 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3jsm n PRO 420 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3jsm n PRO 421 N 1.06 0.97 -4.03 0.54 -0.02 -1.26 -5.01 135.00 127.24 3jsm n PRO 421 Ca 0.01 0.34 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 3jsm n PRO 421 Cb 0.57 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 3jsm n PRO 421 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jsm s LEU 422 N 0.82 4.10 -0.16 2.45 1.43 -1.26 -4.74 118.68 121.31 3jsm s LEU 422 Ca 0.62 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 3jsm s LEU 422 Cb -0.64 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 3jsm s LEU 422 CO 0.58 -0.06 0.16 -0.69 0.23 0.00 0.00 176.35 176.58 3jsm s VAL 423 N -2.05 5.42 -0.09 -1.59 1.01 0.28 -4.98 120.40 118.40 3jsm s VAL 423 Ca 0.33 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 3jsm s VAL 423 Cb -0.08 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.92 3jsm s VAL 423 CO 0.27 0.50 0.80 -1.59 0.00 0.00 0.00 175.10 175.09 3jsm s LYS 424 N -0.17 0.88 -0.20 2.72 -2.85 -1.26 -4.24 119.74 114.61 3jsm s LYS 424 Ca 0.12 0.21 -0.29 0.00 -1.00 0.00 0.00 55.97 55.01 3jsm s LYS 424 Cb -0.12 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 3jsm s LYS 424 CO 0.01 -0.27 1.63 -0.51 0.10 0.00 0.00 175.35 176.31 3jsm s LEU 425 N -1.16 3.94 0.00 2.77 1.43 -1.26 -4.87 118.68 119.53 3jsm s LEU 425 Ca -0.07 1.70 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 3jsm s LEU 425 Cb -0.00 -3.53 0.23 0.00 0.03 0.00 0.00 46.19 42.92 3jsm s LEU 425 CO 0.07 -1.23 0.82 0.79 0.23 0.00 0.00 176.35 177.03 3jsm n TRP 426 N 8.33 0.00 0.00 0.29 5.03 -1.26 -4.80 117.44 125.03 3jsm n TRP 426 Ca 0.19 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.72 3jsm n TRP 426 Cb 0.45 -0.11 0.00 0.00 -1.03 0.00 0.00 31.31 30.62 3jsm n TRP 426 CO 0.00 0.00 0.00 2.48 -0.03 0.00 0.00 177.69 180.14 3jsm n TYR 427 N -1.11 0.00 -4.56 -5.99 4.11 -1.26 -4.68 117.16 103.67 3jsm n TYR 427 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.67 3jsm n TYR 427 Cb 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.26 3jsm n TYR 427 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3jsm s GLN 428 N -2.00 1.86 -0.12 -3.48 -1.52 -1.26 -4.96 119.66 108.18 3jsm s GLN 428 Ca 0.00 -2.07 0.02 0.00 -1.95 0.00 0.00 55.36 51.35 3jsm s GLN 428 Cb 0.00 -1.20 0.02 0.00 -0.22 0.00 0.00 33.01 31.61 3jsm s GLN 428 CO 0.00 -0.19 -0.16 -0.51 -0.25 0.00 0.00 175.29 174.18 3jsm s LEU 429 N -3.63 1.78 0.17 2.90 1.43 -1.26 -4.73 118.68 115.34 3jsm s LEU 429 Ca 0.31 -0.47 -0.34 0.00 -1.03 0.00 0.00 54.13 52.60 3jsm s LEU 429 Cb 0.08 -1.17 -0.14 0.00 0.03 0.00 0.00 46.19 44.98 3jsm s LEU 429 CO 0.15 0.01 1.54 -0.62 0.23 0.00 0.00 176.35 177.66 3jsm n GLU 430 N 4.32 2.09 -2.04 1.70 -0.58 0.49 -4.84 120.64 121.78 3jsm n GLU 430 Ca -0.19 0.75 -0.35 0.00 -0.42 0.00 0.00 57.16 56.96 3jsm n GLU 430 Cb 0.51 -2.50 0.03 0.00 -0.57 0.00 0.00 31.44 28.91 3jsm n GLU 430 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3jsm n LYS 431 N 3.17 2.98 -3.24 3.49 4.76 -1.26 -4.51 118.16 123.55 3jsm n LYS 431 Ca 0.16 -3.82 0.04 0.00 -2.87 0.00 0.00 58.31 51.82 3jsm n LYS 431 Cb 0.29 -2.27 -0.04 0.00 -1.84 0.00 0.00 35.03 31.17 3jsm n LYS 431 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3jsm s GLU 432 N -3.88 0.03 0.32 1.97 2.56 -1.26 -5.16 118.70 113.28 3jsm s GLU 432 Ca 0.52 0.07 -0.19 0.00 0.00 0.00 0.00 54.97 55.37 3jsm s GLU 432 Cb 0.43 0.04 -0.14 0.00 2.00 0.00 0.00 34.13 36.47 3jsm s GLU 432 CO -0.30 -0.01 0.12 -2.30 -0.56 0.00 0.00 175.26 172.21 3jsm n PRO 433 N 4.34 0.00 -3.50 4.30 -0.02 -1.26 -4.93 135.00 133.92 3jsm n PRO 433 Ca -0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 3jsm n PRO 433 Cb 0.56 -0.86 -0.10 0.00 -0.02 0.00 0.00 33.50 33.08 3jsm n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3jsm s ILE 434 N -1.37 4.87 0.79 4.25 1.01 -1.26 -5.07 121.20 124.43 3jsm s ILE 434 Ca 0.51 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 3jsm s ILE 434 Cb -0.58 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 37.99 3jsm s ILE 434 CO 0.53 -0.41 0.04 0.52 0.00 0.00 0.00 174.94 175.62 3jsm n VAL 435 N 5.08 0.68 -3.50 2.92 0.31 -1.26 -3.42 118.33 119.14 3jsm n VAL 435 Ca -0.11 -0.41 -0.24 0.00 -0.01 0.00 0.00 64.34 63.56 3jsm n VAL 435 Cb 0.45 -0.39 0.01 0.00 -0.91 0.00 0.00 33.84 33.00 3jsm n VAL 435 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jsm n GLY 436 N 2.26 -0.81 3.41 2.92 0.00 -1.26 -4.96 105.19 106.76 3jsm n GLY 436 Ca 0.06 0.64 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 3jsm n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jsm s ALA 437 N -2.45 -1.42 -0.27 4.61 0.00 -1.22 -5.03 121.76 115.98 3jsm s ALA 437 Ca 0.08 1.85 -0.34 0.00 0.00 0.00 0.00 51.96 53.55 3jsm s ALA 437 Cb -0.01 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 3jsm s ALA 437 CO 0.76 -0.53 2.12 -1.91 0.00 0.00 0.00 175.76 176.20 3jsm n GLU 438 N 4.78 1.47 -2.84 0.00 2.13 -1.26 -4.74 120.64 120.17 3jsm n GLU 438 Ca -0.17 0.44 -0.42 0.00 0.66 0.00 0.00 57.16 57.68 3jsm n GLU 438 Cb 0.53 -2.64 -0.04 0.00 0.27 0.00 0.00 31.44 29.57 3jsm n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3jsm s THR 439 N 6.73 4.80 -0.20 6.31 2.01 -1.26 -3.67 115.64 130.36 3jsm s THR 439 Ca 1.04 1.67 -0.10 0.00 0.31 0.00 0.00 61.69 64.62 3jsm s THR 439 Cb -0.73 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 67.57 3jsm s THR 439 CO 0.48 -0.09 0.12 -0.36 -0.69 0.00 0.00 174.62 174.07 3jsm s PHE 440 N 2.89 3.38 -0.39 4.92 0.40 0.35 -2.22 117.98 127.30 3jsm s PHE 440 Ca 0.37 0.28 -0.13 0.00 -0.60 0.00 0.00 56.93 56.85 3jsm s PHE 440 Cb -0.15 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.24 3jsm s PHE 440 CO 0.07 0.26 0.26 0.71 0.70 0.00 0.00 175.22 177.22 3jsm s TYR 441 N 0.39 3.24 0.11 0.36 1.51 0.09 -1.44 117.35 121.60 3jsm s TYR 441 Ca 0.07 -0.65 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 3jsm s TYR 441 Cb -0.11 -2.52 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 3jsm s TYR 441 CO -0.01 -0.57 -0.11 0.54 -1.11 0.00 0.00 175.55 174.28 3jsm s VAL 442 N 1.65 3.30 -0.02 0.71 0.11 -1.17 -1.69 120.40 123.29 3jsm s VAL 442 Ca 0.04 -1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 57.50 3jsm s VAL 442 Cb -0.19 -2.54 0.10 0.00 -1.53 0.00 0.00 36.38 32.22 3jsm s VAL 442 CO 0.09 0.11 1.29 -0.62 -3.33 0.00 0.00 175.10 172.63 3jsm s ASP 443 N -2.21 -0.01 0.00 3.54 3.68 -0.44 -4.68 116.67 116.55 3jsm s ASP 443 Ca 0.21 -0.19 0.00 0.00 2.13 0.00 0.00 52.55 54.70 3jsm s ASP 443 Cb -0.11 0.15 0.00 0.00 -1.45 0.00 0.00 42.92 41.51 3jsm s ASP 443 CO 0.13 -0.29 0.00 0.61 0.13 0.00 0.00 175.17 175.75 3jsm n GLY 444 N -0.80 0.62 1.61 2.66 0.00 -1.26 0.38 105.19 108.40 3jsm n GLY 444 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 3jsm n GLY 444 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jsm n ALA 445 N -0.18 -0.95 -3.49 4.61 0.00 0.28 -4.58 120.51 116.20 3jsm n ALA 445 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 3jsm n ALA 445 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 3jsm n ALA 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jsm s ALA 446 N -1.45 -1.76 -0.09 0.00 0.00 -1.26 0.14 121.76 117.34 3jsm s ALA 446 Ca 0.08 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 3jsm s ALA 446 Cb -0.02 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3jsm s ALA 446 CO 0.04 -0.58 0.82 1.21 0.00 0.00 0.00 175.76 177.25 3jsm s ASN 447 N -2.06 7.07 0.04 0.00 2.47 -1.03 -4.75 114.94 116.68 3jsm s ASN 447 Ca -0.01 1.30 -0.07 0.00 0.42 0.00 0.00 52.86 54.51 3jsm s ASN 447 Cb -0.01 -2.47 -0.02 0.00 -1.45 0.00 0.00 41.25 37.31 3jsm s ASN 447 CO -0.04 -0.27 1.08 -1.14 -3.72 0.00 0.00 177.10 173.01 3jsm n ARG 448 N 4.39 -0.10 0.09 0.43 0.63 -1.26 -2.98 116.66 117.86 3jsm n ARG 448 Ca 0.03 1.07 -0.13 0.00 -0.92 0.00 0.00 57.85 57.90 3jsm n ARG 448 Cb 0.50 -1.59 -0.11 0.00 0.45 0.00 0.00 32.46 31.71 3jsm n ARG 448 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3jsm h GLU 449 N 0.00 0.23 0.00 -0.14 4.39 -1.97 -3.46 114.58 113.62 3jsm h GLU 449 Ca 0.04 -0.35 -0.29 0.00 0.34 0.00 0.00 59.36 59.10 3jsm h GLU 449 Cb 0.09 0.12 0.15 0.00 -0.10 0.00 0.00 28.75 29.01 3jsm h GLU 449 CO -0.21 1.13 0.07 0.25 -1.16 0.00 0.00 179.01 179.10 3jsm n THR 450 N -3.54 0.00 0.00 1.13 -2.24 -1.16 -5.03 114.28 103.44 3jsm n THR 450 Ca -0.06 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3jsm n THR 450 Cb 0.96 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 3jsm n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3jsm n LYS 451 N -4.06 0.00 0.00 -0.78 4.76 -1.26 -4.84 118.16 111.98 3jsm n LYS 451 Ca 0.11 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 3jsm n LYS 451 Cb 0.44 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 3jsm n LYS 451 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3jsm n LEU 452 N -1.04 0.00 0.00 -0.35 4.32 -1.26 -2.71 117.00 115.95 3jsm n LEU 452 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3jsm n LEU 452 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3jsm n LEU 452 CO 0.00 -0.44 0.00 0.61 -1.22 0.00 0.00 177.39 176.34 3jsm n GLY 453 N 3.89 -0.63 3.90 -0.72 0.00 -1.07 -2.47 105.19 108.09 3jsm n GLY 453 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3jsm n GLY 453 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jsm s LYS 454 N -0.04 0.78 0.07 1.61 -2.85 0.38 -1.43 119.74 118.27 3jsm s LYS 454 Ca 0.00 -0.50 -0.26 0.00 -1.00 0.00 0.00 55.97 54.21 3jsm s LYS 454 Cb 0.00 0.22 0.08 0.00 -2.06 0.00 0.00 37.83 36.07 3jsm s LYS 454 CO 0.00 -0.37 0.70 0.00 0.10 0.00 0.00 175.35 175.79 3jsm s ALA 455 N -2.16 -1.70 0.04 0.59 0.00 -0.85 0.10 121.76 117.78 3jsm s ALA 455 Ca 0.24 0.82 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 3jsm s ALA 455 Cb -0.01 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.66 3jsm s ALA 455 CO 0.01 -0.65 0.23 0.41 0.00 0.00 0.00 175.76 175.77 3jsm n GLY 456 N -0.05 1.12 2.82 0.00 0.00 0.16 0.19 105.19 109.43 3jsm n GLY 456 Ca -0.15 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 3jsm n GLY 456 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3jsm n TYR 457 N -0.16 -1.07 -3.61 1.61 0.18 -0.56 -1.33 117.16 112.22 3jsm n TYR 457 Ca -0.00 -2.16 -0.13 0.00 1.88 0.00 0.00 57.90 57.49 3jsm n TYR 457 Cb 0.13 0.39 -0.05 0.00 -0.38 0.00 0.00 39.34 39.42 3jsm n TYR 457 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 3jsm s VAL 458 N -2.91 0.04 0.47 -3.48 -7.23 -0.68 -2.08 120.40 104.54 3jsm s VAL 458 Ca 0.28 -0.36 0.06 0.00 -1.81 0.00 0.00 61.98 60.16 3jsm s VAL 458 Cb 0.00 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.94 3jsm s VAL 458 CO 0.20 -0.20 0.30 0.42 -0.31 0.00 0.00 175.10 175.52 3jsm s THR 459 N -2.70 2.10 -1.54 5.32 -4.23 0.08 -0.73 115.64 113.94 3jsm s THR 459 Ca -0.04 -1.55 0.23 0.00 -1.18 0.00 0.00 61.69 59.16 3jsm s THR 459 Cb -0.00 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 3jsm s THR 459 CO -0.04 0.00 1.18 -0.46 -0.54 0.00 0.00 174.62 174.76 3jsm n ASN 460 N -1.51 1.31 -0.81 3.99 6.94 -0.94 -3.84 115.26 120.39 3jsm n ASN 460 Ca -0.01 -1.06 0.07 0.00 -0.02 0.00 0.00 54.58 53.56 3jsm n ASN 460 Cb 0.64 0.52 0.21 0.00 -2.36 0.00 0.00 39.78 38.79 3jsm n ASN 460 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 3jsm n LYS 461 N -0.78 2.96 -1.13 -3.83 2.85 -1.26 -5.01 118.16 111.96 3jsm n LYS 461 Ca 0.08 -2.44 0.00 0.00 -1.05 0.00 0.00 58.31 54.90 3jsm n LYS 461 Cb 0.39 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 3jsm n LYS 461 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3jsm n GLY 462 N 0.13 -2.01 3.64 2.58 0.00 -1.25 -5.13 105.19 103.15 3jsm n GLY 462 Ca 0.17 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 3jsm n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3jsm s ARG 463 N -0.10 0.46 0.03 1.61 3.52 -1.26 -4.91 118.95 118.30 3jsm s ARG 463 Ca 0.00 0.72 0.04 0.00 -0.13 0.00 0.00 55.73 56.37 3jsm s ARG 463 Cb 0.00 0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.50 3jsm s ARG 463 CO 0.00 -0.08 -0.13 -1.14 -0.81 0.00 0.00 175.30 173.13 3jsm s GLN 464 N 1.11 0.93 0.11 5.12 0.74 -1.26 -0.75 119.66 125.66 3jsm s GLN 464 Ca -0.06 -0.66 -0.25 0.00 0.05 0.00 0.00 55.36 54.43 3jsm s GLN 464 Cb -0.04 -0.91 0.07 0.00 1.10 0.00 0.00 33.01 33.23 3jsm s GLN 464 CO -0.13 0.23 0.62 0.21 -0.55 0.00 0.00 175.29 175.67 3jsm s LYS 465 N -0.92 1.23 -0.11 1.67 2.20 -0.88 -5.01 119.74 117.92 3jsm s LYS 465 Ca 0.02 -0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 3jsm s LYS 465 Cb -0.07 0.57 0.08 0.00 -1.51 0.00 0.00 37.83 36.90 3jsm s LYS 465 CO 0.01 -0.51 0.77 0.14 -0.36 0.00 0.00 175.35 175.40 3jsm s VAL 466 N -3.17 0.00 -0.03 4.02 -7.23 -1.26 -1.50 120.40 111.24 3jsm s VAL 466 Ca -0.02 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.18 3jsm s VAL 466 Cb -0.01 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.94 3jsm s VAL 466 CO -0.08 0.00 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.94 3jsm s VAL 467 N -0.94 0.74 -1.08 1.32 1.01 0.13 -4.96 120.40 116.62 3jsm s VAL 467 Ca -0.07 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 3jsm s VAL 467 Cb -0.01 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.72 3jsm s VAL 467 CO 0.07 0.24 1.67 -2.16 0.00 0.00 0.00 175.10 174.91 3jsm s PRO 468 N 0.30 3.37 0.84 2.72 0.04 -1.26 -2.01 135.00 139.00 3jsm s PRO 468 Ca -0.05 -1.17 -0.11 0.00 0.04 0.00 0.00 61.00 59.71 3jsm s PRO 468 Cb -0.09 -5.33 0.10 0.00 0.04 0.00 0.00 34.50 29.21 3jsm s PRO 468 CO 0.01 -2.64 1.09 -0.51 0.04 0.00 0.00 177.00 174.99 3jsm s LEU 469 N 6.43 2.62 -0.03 -3.56 1.43 -0.51 -4.93 118.68 120.13 3jsm s LEU 469 Ca 0.55 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 55.34 3jsm s LEU 469 Cb -0.00 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 42.02 3jsm s LEU 469 CO -0.02 -2.40 -0.07 -0.89 0.23 0.00 0.00 176.35 173.20 3jsm s THR 470 N -2.90 0.70 -1.11 5.49 2.01 -1.26 -2.60 115.64 115.97 3jsm s THR 470 Ca 0.63 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.35 3jsm s THR 470 Cb -0.18 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.68 3jsm s THR 470 CO 0.57 0.24 0.00 0.59 -0.69 0.00 0.00 174.62 175.32 3jsm n ASN 471 N 3.56 -5.49 -2.50 3.53 3.02 -1.10 -4.90 115.26 111.37 3jsm n ASN 471 Ca -0.21 0.26 -0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3jsm n ASN 471 Cb 0.53 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 3jsm n ASN 471 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3jsm n THR 472 N -2.13 0.00 -3.97 3.41 5.66 -1.26 -4.99 114.28 111.00 3jsm n THR 472 Ca -0.10 -0.01 -0.09 0.00 -3.05 0.00 0.00 64.05 60.80 3jsm n THR 472 Cb 0.57 -1.03 -0.05 0.00 -1.55 0.00 0.00 70.33 68.27 3jsm n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3jsm s THR 473 N -1.03 0.00 0.51 1.09 -4.23 -1.26 -4.92 115.64 105.80 3jsm s THR 473 Ca 0.01 -1.34 0.41 0.00 -1.18 0.00 0.00 61.69 59.58 3jsm s THR 473 Cb -0.00 -2.14 0.62 0.00 1.34 0.00 0.00 72.50 72.32 3jsm s THR 473 CO 0.01 -0.02 1.62 0.78 -0.54 0.00 0.00 174.62 176.47 3jsm h ASN 474 N 2.25 0.10 0.01 3.99 4.21 -1.93 -1.85 115.58 122.35 3jsm h ASN 474 Ca -0.26 0.06 -0.37 0.00 1.21 0.00 0.00 56.30 56.93 3jsm h ASN 474 Cb 1.25 0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 38.45 3jsm h ASN 474 CO 0.35 -0.07 -2.07 0.00 -1.29 0.00 0.00 177.43 174.34 3jsm n GLN 475 N -4.27 0.61 0.00 0.81 3.00 -1.26 -4.21 117.38 112.05 3jsm n GLN 475 Ca 0.39 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 3jsm n GLN 475 Cb 1.68 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 30.32 3jsm n GLN 475 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3jsm n LYS 476 N -4.12 0.00 -0.11 -1.09 5.02 -0.72 -1.88 118.16 115.27 3jsm n LYS 476 Ca -0.44 0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 55.80 3jsm n LYS 476 Cb 0.85 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 3jsm n LYS 476 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3jsm n THR 477 N -1.01 1.50 -0.25 -0.18 -2.24 -1.07 -3.17 114.28 107.87 3jsm n THR 477 Ca 0.00 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 3jsm n THR 477 Cb 0.12 -2.16 0.16 0.00 -2.10 0.00 0.00 70.33 66.35 3jsm n THR 477 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3jsm h GLU 478 N -1.00 0.13 0.65 -0.78 4.57 -1.55 0.38 114.58 116.99 3jsm h GLU 478 Ca -0.29 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 3jsm h GLU 478 Cb 1.18 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3jsm h GLU 478 CO -0.17 0.09 -0.31 -0.07 -1.18 0.00 0.00 179.01 177.36 3jsm h LEU 479 N 0.13 -0.74 -1.70 1.64 3.38 -1.77 -0.36 115.31 115.89 3jsm h LEU 479 Ca 0.40 -0.00 0.43 0.00 0.09 0.00 0.00 57.88 58.80 3jsm h LEU 479 Cb 0.71 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 3jsm h LEU 479 CO -0.62 -0.37 0.98 -0.61 0.09 0.00 0.00 178.44 177.91 3jsm h GLN 480 N -1.17 0.08 0.04 1.13 5.75 -1.32 0.37 115.11 119.99 3jsm h GLN 480 Ca -0.09 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3jsm h GLN 480 Cb 0.70 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.23 3jsm h GLN 480 CO 0.15 0.05 -0.02 0.00 -2.65 0.00 0.00 178.83 176.36 3jsm h ALA 481 N 1.40 -0.05 0.00 3.38 0.00 -0.04 -3.20 119.26 120.75 3jsm h ALA 481 Ca 0.76 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3jsm h ALA 481 Cb 2.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.48 3jsm h ALA 481 CO -0.19 -0.09 0.08 -0.89 0.00 0.00 0.00 179.25 178.16 3jsm n ILE 482 N -4.73 1.16 -0.09 0.00 5.41 0.00 -0.92 119.36 120.20 3jsm n ILE 482 Ca -0.07 0.67 -0.13 0.00 1.00 0.00 0.00 62.75 64.21 3jsm n ILE 482 Cb 0.32 -1.67 -0.01 0.00 -0.71 0.00 0.00 39.64 37.57 3jsm n ILE 482 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3jsm h TYR 483 N 0.00 1.06 0.14 1.39 3.20 -1.23 -3.29 116.97 118.24 3jsm h TYR 483 Ca 0.00 -0.34 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 3jsm h TYR 483 Cb 0.17 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.22 3jsm h TYR 483 CO 0.00 1.16 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.54 3jsm h LEU 484 N 0.70 -0.16 0.00 2.82 3.38 -1.13 -3.15 115.31 117.77 3jsm h LEU 484 Ca 0.04 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3jsm h LEU 484 Cb 1.04 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3jsm h LEU 484 CO 0.10 0.41 0.01 0.00 0.09 0.00 0.00 178.44 179.05 3jsm n ALA 485 N -2.55 0.60 -0.07 1.53 0.00 -1.15 0.27 120.51 119.13 3jsm n ALA 485 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 3jsm n ALA 485 Cb 0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 3jsm n ALA 485 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3jsm n LEU 486 N -0.71 1.84 -0.22 0.00 4.77 -1.19 -4.15 117.00 117.33 3jsm n LEU 486 Ca 0.00 0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 3jsm n LEU 486 Cb 0.01 -0.69 0.03 0.00 -2.33 0.00 0.00 43.42 40.44 3jsm n LEU 486 CO 0.00 -0.32 0.91 0.06 -1.33 0.00 0.00 177.39 176.71 3jsm h GLN 487 N -0.88 1.01 -0.92 3.23 3.07 -1.11 -2.07 115.11 117.45 3jsm h GLN 487 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.47 3jsm h GLN 487 Cb 0.89 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.32 3jsm h GLN 487 CO -0.01 0.93 0.00 -0.25 0.09 0.00 0.00 178.83 179.59 3jsm n ASP 488 N -4.31 1.15 -0.95 0.06 9.92 0.14 -4.71 116.55 117.85 3jsm n ASP 488 Ca 0.04 -1.76 0.00 0.00 -0.53 0.00 0.00 54.79 52.53 3jsm n ASP 488 Cb 0.26 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 3jsm n ASP 488 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3jsm n SER 489 N 0.14 0.00 -0.07 -2.24 3.41 -0.78 -4.88 113.62 109.20 3jsm n SER 489 Ca 0.00 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 3jsm n SER 489 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3jsm n SER 489 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jsm n GLY 490 N 0.00 5.72 0.48 5.00 0.00 -1.26 -4.92 105.19 110.20 3jsm n GLY 490 Ca 0.00 -1.58 0.39 0.00 0.00 0.00 0.00 46.02 44.83 3jsm n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jsm n LEU 491 N 0.00 0.14 -3.87 0.99 4.77 -1.26 -3.97 117.00 113.80 3jsm n LEU 491 Ca 0.00 1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 56.85 3jsm n LEU 491 Cb 0.00 -0.56 -0.17 0.00 -2.33 0.00 0.00 43.42 40.36 3jsm n LEU 491 CO 0.00 -1.22 -0.42 -1.61 -1.33 0.00 0.00 177.39 172.81 3jsm s GLU 492 N -4.96 1.33 0.14 3.23 2.02 -1.26 -1.41 118.70 117.79 3jsm s GLU 492 Ca -0.06 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.59 3jsm s GLU 492 Cb 0.27 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.67 3jsm s GLU 492 CO 0.75 -0.38 -0.06 0.08 0.02 0.00 0.00 175.26 175.66 3jsm s VAL 493 N 1.70 0.87 -0.32 2.63 1.01 -0.93 -4.48 120.40 120.89 3jsm s VAL 493 Ca 0.02 -1.99 -0.02 0.00 0.00 0.00 0.00 61.98 59.99 3jsm s VAL 493 Cb -0.14 -1.86 0.12 0.00 0.00 0.00 0.00 36.38 34.50 3jsm s VAL 493 CO -0.08 -0.73 0.17 0.20 0.00 0.00 0.00 175.10 174.67 3jsm s ASN 494 N -3.12 3.32 0.12 3.32 0.01 -1.24 -2.62 114.94 114.72 3jsm s ASN 494 Ca 0.17 -1.75 -0.09 0.00 -0.71 0.00 0.00 52.86 50.48 3jsm s ASN 494 Cb 0.04 -0.42 -0.06 0.00 0.41 0.00 0.00 41.25 41.22 3jsm s ASN 494 CO -0.01 -0.38 0.42 -0.63 -1.51 0.00 0.00 177.10 175.00 3jsm s ILE 495 N 1.57 5.08 0.04 0.60 1.01 -0.40 -0.50 121.20 128.59 3jsm s ILE 495 Ca 0.13 0.37 0.07 0.00 0.00 0.00 0.00 60.65 61.22 3jsm s ILE 495 Cb -0.19 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3jsm s ILE 495 CO -0.18 0.18 -0.20 0.54 0.00 0.00 0.00 174.94 175.27 3jsm s VAL 496 N -1.52 1.65 0.06 2.92 0.11 -0.52 -2.83 120.40 120.27 3jsm s VAL 496 Ca 0.37 -1.16 -0.12 0.00 -2.93 0.00 0.00 61.98 58.14 3jsm s VAL 496 Cb -0.13 -1.43 0.01 0.00 -1.53 0.00 0.00 36.38 33.31 3jsm s VAL 496 CO 0.20 0.23 0.27 0.28 -3.33 0.00 0.00 175.10 172.75 3jsm s THR 497 N -0.77 0.10 -0.47 5.04 -1.32 -0.10 -3.06 115.64 115.07 3jsm s THR 497 Ca 0.07 -0.83 0.10 0.00 -1.21 0.00 0.00 61.69 59.82 3jsm s THR 497 Cb -0.09 -1.06 -0.10 0.00 -1.51 0.00 0.00 72.50 69.74 3jsm s THR 497 CO 0.01 -0.46 0.42 -0.90 -2.21 0.00 0.00 174.62 171.49 3jsm n ASP 498 N 0.33 0.48 -4.86 8.08 3.85 -1.23 -0.26 116.55 122.93 3jsm n ASP 498 Ca -0.17 -0.74 -0.32 0.00 -0.71 0.00 0.00 54.79 52.85 3jsm n ASP 498 Cb 0.61 0.98 -0.06 0.00 -1.35 0.00 0.00 41.12 41.31 3jsm n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3jsm s SER 499 N -1.90 6.69 -0.07 -1.12 0.15 -1.26 -4.32 113.70 111.87 3jsm s SER 499 Ca 0.04 1.11 0.11 0.00 0.70 0.00 0.00 55.95 57.91 3jsm s SER 499 Cb 0.07 -2.30 -0.16 0.00 -1.71 0.00 0.00 66.02 61.92 3jsm s SER 499 CO 0.40 -0.17 0.14 0.00 1.20 0.00 0.00 173.24 174.81 3jsm n GLN 500 N -0.36 1.33 -0.11 5.44 6.02 -1.26 -4.01 117.38 124.43 3jsm n GLN 500 Ca 0.02 -0.05 0.15 0.00 -0.01 0.00 0.00 57.00 57.11 3jsm n GLN 500 Cb 0.53 -1.29 0.53 0.00 1.02 0.00 0.00 30.24 31.03 3jsm n GLN 500 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3jsm h TYR 501 N 0.00 0.39 0.01 1.08 3.20 -1.99 0.27 116.97 119.93 3jsm h TYR 501 Ca -0.17 0.01 -0.33 0.00 3.14 0.00 0.00 58.73 61.39 3jsm h TYR 501 Cb 1.17 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 3jsm h TYR 501 CO 0.00 0.16 -2.00 0.00 -1.64 0.00 0.00 178.16 174.68 3jsm n ALA 502 N -2.54 1.43 0.09 1.82 0.00 -1.26 -3.36 120.51 116.69 3jsm n ALA 502 Ca 0.12 -0.95 -0.05 0.00 0.00 0.00 0.00 53.44 52.55 3jsm n ALA 502 Cb 0.49 -0.57 0.09 0.00 0.00 0.00 0.00 19.45 19.46 3jsm n ALA 502 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3jsm h LEU 503 N 0.01 0.23 0.05 0.00 5.85 -1.58 -2.78 115.31 117.09 3jsm h LEU 503 Ca -0.40 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 3jsm h LEU 503 Cb 2.09 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.05 3jsm h LEU 503 CO 0.05 0.84 -0.03 1.23 -0.34 0.00 0.00 178.44 180.19 3jsm h GLY 504 N 1.62 -0.07 0.32 3.75 0.00 -0.65 -0.93 103.07 107.11 3jsm h GLY 504 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3jsm h GLY 504 CO 0.10 -0.03 -0.47 -2.22 0.00 0.00 0.00 176.54 173.93 3jsm h ILE 505 N -0.55 0.09 -0.43 2.60 2.04 -1.60 -2.94 117.51 116.73 3jsm h ILE 505 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3jsm h ILE 505 Cb 0.48 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3jsm h ILE 505 CO 0.01 0.00 0.23 0.40 0.00 0.00 0.00 178.15 178.79 3jsm h ILE 506 N -0.78 1.14 0.00 -0.67 2.04 -1.56 -2.82 117.51 114.86 3jsm h ILE 506 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3jsm h ILE 506 Cb 0.75 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3jsm h ILE 506 CO -0.20 0.15 0.00 1.56 0.00 0.00 0.00 178.15 179.66 3jsm h GLN 507 N 0.59 0.00 -0.00 2.37 4.20 -0.97 -1.73 115.11 119.56 3jsm h GLN 507 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3jsm h GLN 507 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3jsm h GLN 507 CO -0.03 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.13 3jsm n ALA 508 N -1.99 2.68 -2.24 3.87 0.00 -1.06 -4.89 120.51 116.87 3jsm n ALA 508 Ca -0.01 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 3jsm n ALA 508 Cb 0.18 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 3jsm n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jsm n GLN 509 N -0.96 -1.63 -1.68 0.00 6.02 -0.65 -4.87 117.38 113.61 3jsm n GLN 509 Ca 0.23 1.06 -0.44 0.00 -0.01 0.00 0.00 57.00 57.84 3jsm n GLN 509 Cb 0.12 -5.67 -0.02 0.00 1.02 0.00 0.00 30.24 25.70 3jsm n GLN 509 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3jsm n PRO 510 N -2.88 2.07 -0.01 -1.09 -0.02 -1.26 -4.81 135.00 126.99 3jsm n PRO 510 Ca -0.24 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3jsm n PRO 510 Cb 0.69 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3jsm n PRO 510 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3jsm n ASP 511 N 1.91 1.87 -3.68 2.55 5.68 -1.22 -4.90 116.55 118.76 3jsm n ASP 511 Ca 0.10 -1.80 -0.10 0.00 -0.50 0.00 0.00 54.79 52.49 3jsm n ASP 511 Cb 0.32 -0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 40.18 3jsm n ASP 511 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3jsm s LYS 512 N -0.81 0.34 0.13 0.11 1.02 -1.00 -5.01 119.74 114.53 3jsm s LYS 512 Ca 0.02 0.87 0.01 0.00 0.02 0.00 0.00 55.97 56.89 3jsm s LYS 512 Cb 0.01 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 3jsm s LYS 512 CO 0.01 -0.20 0.00 0.45 -0.92 0.00 0.00 175.35 174.69 3jsm s SER 513 N 1.93 0.82 0.08 2.83 0.15 -1.26 -2.39 113.70 115.86 3jsm s SER 513 Ca -0.06 -1.13 0.06 0.00 0.70 0.00 0.00 55.95 55.52 3jsm s SER 513 Cb -0.10 0.18 -0.23 0.00 -1.71 0.00 0.00 66.02 64.16 3jsm s SER 513 CO -0.12 -0.60 1.13 -0.08 1.20 0.00 0.00 173.24 174.76 3jsm h GLU 514 N 2.86 0.06 -5.91 5.44 4.22 -1.77 -3.45 114.58 116.01 3jsm h GLU 514 Ca -0.36 -0.09 -0.57 0.00 0.08 0.00 0.00 59.36 58.42 3jsm h GLU 514 Cb 1.19 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 3jsm h GLU 514 CO 0.62 0.96 0.09 0.45 -2.18 0.00 0.00 179.01 178.95 3jsm s SER 515 N -6.69 6.89 0.33 1.04 0.15 -1.26 -4.95 113.70 109.20 3jsm s SER 515 Ca -0.01 1.07 0.06 0.00 0.70 0.00 0.00 55.95 57.77 3jsm s SER 515 Cb 0.09 -2.39 0.73 0.00 -1.71 0.00 0.00 66.02 62.74 3jsm s SER 515 CO 0.83 -0.15 1.87 -0.08 1.20 0.00 0.00 173.24 176.91 3jsm h GLU 516 N 6.94 0.77 -0.00 5.44 4.81 -2.01 -2.14 114.58 128.39 3jsm h GLU 516 Ca -0.38 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3jsm h GLU 516 Cb 1.18 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3jsm h GLU 516 CO 0.77 0.51 -0.10 1.25 -0.73 0.00 0.00 179.01 180.71 3jsm h LEU 517 N 0.80 -0.28 -0.08 1.64 6.46 -1.98 -2.68 115.31 119.19 3jsm h LEU 517 Ca 0.45 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 58.29 3jsm h LEU 517 Cb 0.59 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.59 3jsm h LEU 517 CO -0.21 -0.14 -0.32 0.58 -0.62 0.00 0.00 178.44 177.73 3jsm h VAL 518 N -0.16 0.30 -1.04 1.05 2.07 -1.80 -1.43 116.25 115.23 3jsm h VAL 518 Ca 0.04 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.83 3jsm h VAL 518 Cb 0.21 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 30.17 3jsm h VAL 518 CO -0.10 0.00 0.65 0.78 0.02 0.00 0.00 177.57 178.92 3jsm h ASN 519 N -0.42 0.51 0.11 0.57 2.35 -1.35 0.62 115.58 117.97 3jsm h ASN 519 Ca 0.08 0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 3jsm h ASN 519 Cb 0.55 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 3jsm h ASN 519 CO -0.32 0.07 -0.42 1.56 -1.65 0.00 0.00 177.43 176.67 3jsm h GLN 520 N 0.43 0.39 0.00 0.81 4.20 -0.95 -0.47 115.11 119.53 3jsm h GLN 520 Ca 0.63 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 59.11 3jsm h GLN 520 Cb 1.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 3jsm h GLN 520 CO -0.38 0.75 -0.16 0.82 -0.67 0.00 0.00 178.83 179.20 3jsm h ILE 521 N 0.33 0.48 0.00 2.54 2.04 0.79 -2.59 117.51 121.09 3jsm h ILE 521 Ca 0.03 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3jsm h ILE 521 Cb 0.88 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3jsm h ILE 521 CO 0.07 0.16 -0.17 0.40 0.00 0.00 0.00 178.15 178.61 3jsm h ILE 522 N 0.00 0.00 -0.68 -0.67 2.04 -0.80 -3.06 117.51 114.34 3jsm h ILE 522 Ca -0.00 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.13 3jsm h ILE 522 Cb 0.57 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.54 3jsm h ILE 522 CO 0.02 0.00 -0.27 1.21 0.00 0.00 0.00 178.15 179.11 3jsm n GLU 523 N -4.26 -0.16 -0.05 2.37 2.13 -0.23 0.18 120.64 120.61 3jsm n GLU 523 Ca -0.02 1.04 -0.09 0.00 0.66 0.00 0.00 57.16 58.74 3jsm n GLU 523 Cb 0.09 -1.54 -0.03 0.00 0.27 0.00 0.00 31.44 30.23 3jsm n GLU 523 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3jsm h GLN 524 N 0.00 0.23 -0.30 5.31 1.08 -1.62 -2.07 115.11 117.74 3jsm h GLN 524 Ca 0.23 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.50 3jsm h GLN 524 Cb 0.40 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 3jsm h GLN 524 CO -0.67 0.15 0.27 -0.07 -0.95 0.00 0.00 178.83 177.56 3jsm h LEU 525 N 0.23 0.00 -0.34 1.46 3.38 0.20 0.26 115.31 120.50 3jsm h LEU 525 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3jsm h LEU 525 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3jsm h LEU 525 CO -0.06 0.00 -0.81 0.40 0.09 0.00 0.00 178.44 178.06 3jsm h ILE 526 N 0.00 1.43 -0.27 1.22 2.04 -0.35 -3.26 117.51 118.32 3jsm h ILE 526 Ca 0.14 -2.36 -0.12 0.00 1.00 0.00 0.00 64.86 63.52 3jsm h ILE 526 Cb 0.68 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3jsm h ILE 526 CO -0.00 0.70 -0.34 0.11 0.00 0.00 0.00 178.15 178.61 3jsm h LYS 527 N 0.19 0.58 -7.06 2.37 1.57 -0.83 -3.44 116.57 109.95 3jsm h LYS 527 Ca -0.04 -0.27 -0.51 0.00 -1.87 0.00 0.00 60.65 57.96 3jsm h LYS 527 Cb 1.41 -0.01 0.07 0.00 0.08 0.00 0.00 32.23 33.79 3jsm h LYS 527 CO 0.13 0.85 0.46 0.15 -0.57 0.00 0.00 179.45 180.46 3jsm s LYS 528 N -4.36 3.45 0.00 3.15 -0.14 -1.05 -4.93 119.74 115.87 3jsm s LYS 528 Ca -0.08 1.70 0.21 0.00 -1.36 0.00 0.00 55.97 56.45 3jsm s LYS 528 Cb 0.13 -2.13 0.28 0.00 -1.68 0.00 0.00 37.83 34.42 3jsm s LYS 528 CO 0.82 -0.79 1.26 0.39 -0.76 0.00 0.00 175.35 176.27 3jsm n GLU 529 N -1.06 2.20 -3.57 1.68 -0.58 -0.50 -4.91 120.64 113.90 3jsm n GLU 529 Ca 0.10 -1.99 -0.00 0.00 -0.42 0.00 0.00 57.16 54.85 3jsm n GLU 529 Cb 0.50 -1.44 -0.06 0.00 -0.57 0.00 0.00 31.44 29.87 3jsm n GLU 529 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3jsm s LYS 530 N -1.60 0.28 -0.09 3.49 1.02 -0.67 -4.98 119.74 117.18 3jsm s LYS 530 Ca 0.30 0.53 -0.12 0.00 0.02 0.00 0.00 55.97 56.70 3jsm s LYS 530 Cb 0.19 0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.67 3jsm s LYS 530 CO 0.28 -0.07 0.31 0.08 -0.92 0.00 0.00 175.35 175.03 3jsm s VAL 531 N 1.55 0.02 0.01 3.17 1.01 -1.26 -2.18 120.40 122.71 3jsm s VAL 531 Ca -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3jsm s VAL 531 Cb -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 3jsm s VAL 531 CO -0.14 -0.07 -0.08 -0.47 0.00 0.00 0.00 175.10 174.33 3jsm s TYR 532 N -0.22 0.70 -0.14 5.22 5.04 -1.08 -0.38 117.35 126.49 3jsm s TYR 532 Ca -0.04 -0.22 -0.04 0.00 -2.44 0.00 0.00 57.07 54.33 3jsm s TYR 532 Cb -0.03 -0.43 0.06 0.00 0.35 0.00 0.00 41.96 41.90 3jsm s TYR 532 CO 0.01 -0.02 0.11 -1.17 -1.34 0.00 0.00 175.55 173.14 3jsm s LEU 533 N -0.58 0.20 0.25 6.97 2.96 -1.26 -1.28 118.68 125.95 3jsm s LEU 533 Ca -0.00 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.68 3jsm s LEU 533 Cb -0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.51 3jsm s LEU 533 CO 0.00 -0.31 0.00 0.00 -1.32 0.00 0.00 176.35 174.72 3jsm s ALA 534 N 2.18 3.18 0.07 5.97 0.00 -1.13 -5.00 121.76 127.03 3jsm s ALA 534 Ca 0.03 -1.59 0.08 0.00 0.00 0.00 0.00 51.96 50.48 3jsm s ALA 534 Cb -0.15 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 3jsm s ALA 534 CO -0.08 0.30 -0.19 -0.46 0.00 0.00 0.00 175.76 175.34 3jsm s TRP 535 N -2.20 2.53 -0.12 0.00 -0.00 -1.25 -0.92 118.94 116.97 3jsm s TRP 535 Ca 0.31 -0.27 -0.08 0.00 -0.00 0.00 0.00 56.10 56.05 3jsm s TRP 535 Cb -0.07 -1.41 0.04 0.00 -0.00 0.00 0.00 33.47 32.03 3jsm s TRP 535 CO 0.20 0.30 0.30 0.14 -0.00 0.00 0.00 176.95 177.89 3jsm s VAL 536 N -1.00 -0.02 -0.08 5.86 -7.23 0.64 -4.93 120.40 113.64 3jsm s VAL 536 Ca 0.16 0.07 -0.39 0.00 -1.81 0.00 0.00 61.98 60.01 3jsm s VAL 536 Cb -0.10 -0.45 -0.17 0.00 0.56 0.00 0.00 36.38 36.22 3jsm s VAL 536 CO 0.07 0.03 1.45 -0.81 -0.31 0.00 0.00 175.10 175.53 3jsm n PRO 537 N 3.69 0.92 -2.67 4.82 -0.04 -1.26 -3.57 135.00 136.89 3jsm n PRO 537 Ca -0.20 0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 63.23 3jsm n PRO 537 Cb 0.55 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 3jsm n PRO 537 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jsm s ALA 538 N 1.54 3.14 -1.33 0.55 0.00 -1.26 -3.99 121.76 120.41 3jsm s ALA 538 Ca 0.91 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 53.40 3jsm s ALA 538 Cb -1.07 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 18.84 3jsm s ALA 538 CO 0.56 -0.02 1.12 0.72 0.00 0.00 0.00 175.76 178.15 3jsm n HIS 539 N 0.16 -2.68 -2.13 0.00 8.25 -1.26 -4.90 115.22 112.66 3jsm n HIS 539 Ca 0.04 0.99 0.04 0.00 -0.26 0.00 0.00 57.72 58.53 3jsm n HIS 539 Cb 0.50 -5.00 0.07 0.00 1.12 0.00 0.00 29.99 26.68 3jsm n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3jsm n LYS 540 N -4.77 0.43 -2.38 -0.41 4.76 -1.26 -5.06 118.16 109.47 3jsm n LYS 540 Ca -0.07 -2.15 -0.12 0.00 -2.87 0.00 0.00 58.31 53.10 3jsm n LYS 540 Cb 0.59 -0.53 0.01 0.00 -1.84 0.00 0.00 35.03 33.26 3jsm n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jsm n GLY 541 N -0.06 0.06 3.48 0.72 0.00 -1.26 -4.97 105.19 103.17 3jsm n GLY 541 Ca 0.08 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 3jsm n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jsm s ILE 542 N -0.77 2.86 -0.40 -0.61 1.01 -1.26 -5.02 121.20 117.02 3jsm s ILE 542 Ca 0.12 -1.38 -0.39 0.00 0.00 0.00 0.00 60.65 59.01 3jsm s ILE 542 Cb -0.01 -2.27 -0.14 0.00 0.01 0.00 0.00 42.46 40.04 3jsm s ILE 542 CO 0.27 0.18 2.13 0.61 0.00 0.00 0.00 174.94 178.14 3jsm n GLY 543 N 1.06 0.30 0.00 6.18 0.00 -1.26 -0.03 105.19 111.44 3jsm n GLY 543 Ca -0.16 1.00 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3jsm n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsm n GLY 544 N 6.67 3.21 0.09 -0.02 0.00 -1.26 -4.97 105.19 108.91 3jsm n GLY 544 Ca 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 3jsm n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3jsm h ASN 545 N 0.05 -0.18 -1.06 1.61 -0.73 -0.85 -3.36 115.58 111.06 3jsm h ASN 545 Ca 0.00 0.01 0.34 0.00 1.87 0.00 0.00 56.30 58.51 3jsm h ASN 545 Cb 0.00 0.05 -0.14 0.00 0.27 0.00 0.00 38.32 38.49 3jsm h ASN 545 CO 0.00 -0.08 0.62 -0.33 -0.37 0.00 0.00 177.43 177.27 3jsm h GLU 546 N -0.30 0.27 -0.05 6.67 5.08 -1.94 -1.13 114.58 123.18 3jsm h GLU 546 Ca -0.02 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3jsm h GLU 546 Cb 0.16 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3jsm h GLU 546 CO 0.04 0.18 -0.11 1.96 -1.00 0.00 0.00 179.01 180.07 3jsm h GLN 547 N 0.28 -0.16 -0.17 2.33 7.50 -1.92 -1.60 115.11 121.37 3jsm h GLN 547 Ca 0.74 0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.93 3jsm h GLN 547 Cb 1.82 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 29.36 3jsm h GLN 547 CO -0.55 -0.11 -0.00 0.28 -1.50 0.00 0.00 178.83 176.95 3jsm h VAL 548 N -0.17 0.88 -0.81 -0.54 2.07 -1.35 -1.90 116.25 114.43 3jsm h VAL 548 Ca 0.06 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3jsm h VAL 548 Cb 0.25 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3jsm h VAL 548 CO -0.15 0.01 0.53 0.44 0.02 0.00 0.00 177.57 178.41 3jsm h ASP 549 N 0.06 0.94 0.43 0.57 3.32 -1.38 -2.83 116.42 117.52 3jsm h ASP 549 Ca 0.08 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3jsm h ASP 549 Cb 0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3jsm h ASP 549 CO -0.14 0.70 -0.38 0.11 -1.72 0.00 0.00 179.24 177.81 3jsm h LYS 550 N 1.10 -0.76 -0.13 3.56 1.57 -0.98 4.11 116.57 125.04 3jsm h LYS 550 Ca 0.30 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.17 3jsm h LYS 550 Cb -0.11 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3jsm h LYS 550 CO -0.06 -0.51 0.81 -0.07 -0.57 0.00 0.00 179.45 179.05 3jsm h LEU 551 N -0.79 0.00 0.00 2.94 3.38 -1.18 -2.26 115.31 117.40 3jsm h LEU 551 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3jsm h LEU 551 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3jsm h LEU 551 CO -0.02 0.00 -1.28 0.52 0.09 0.00 0.00 178.44 177.75 3jsm n VAL 552 N -2.75 0.28 -0.13 1.22 0.31 -0.23 -4.76 118.33 112.28 3jsm n VAL 552 Ca 0.02 -0.13 0.27 0.00 -0.01 0.00 0.00 64.34 64.49 3jsm n VAL 552 Cb 0.86 -0.75 0.60 0.00 -0.91 0.00 0.00 33.84 33.64 3jsm n VAL 552 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3jsm h SER 553 N 0.00 0.00 0.00 4.52 4.64 0.85 -3.44 113.55 120.11 3jsm h SER 553 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3jsm h SER 553 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3jsm h SER 553 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95