#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2be2 n ILE 2 N 0.00 0.00 -0.59 0.52 -5.35 -1.26 -4.88 119.36 107.80 2be2 n ILE 2 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 2be2 n ILE 2 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2be2 n ILE 2 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2be2 n SER 3 N 0.00 -0.04 -0.79 7.28 2.88 -1.19 -4.86 113.62 116.90 2be2 n SER 3 Ca 0.00 0.46 0.07 0.00 -1.33 0.00 0.00 58.87 58.07 2be2 n SER 3 Cb 0.36 -0.37 0.21 0.00 -0.75 0.00 0.00 64.21 63.66 2be2 n SER 3 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2be2 n PRO 4 N 0.58 1.99 -2.13 -1.46 -0.05 -1.26 -4.62 135.00 128.05 2be2 n PRO 4 Ca 0.08 -1.54 -0.41 0.00 -0.05 0.00 0.00 63.50 61.58 2be2 n PRO 4 Cb 0.04 -1.34 -0.03 0.00 -0.05 0.00 0.00 33.50 32.12 2be2 n PRO 4 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 175.50 173.95 2be2 s ILE 5 N -1.45 2.95 0.47 0.52 2.07 -1.26 -4.94 121.20 119.56 2be2 s ILE 5 Ca 0.29 0.81 -0.23 0.00 -1.41 0.00 0.00 60.65 60.11 2be2 s ILE 5 Cb 0.15 -3.52 -0.08 0.00 0.13 0.00 0.00 42.46 39.14 2be2 s ILE 5 CO 0.20 0.13 1.17 -0.62 -1.91 0.00 0.00 174.94 173.92 2be2 n GLU 6 N 2.28 1.59 -2.60 3.50 4.71 -1.26 -4.73 120.64 124.13 2be2 n GLU 6 Ca 0.05 0.57 -0.31 0.00 -0.01 0.00 0.00 57.16 57.47 2be2 n GLU 6 Cb 0.42 -2.30 -0.03 0.00 -1.01 0.00 0.00 31.44 28.52 2be2 n GLU 6 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2be2 s THR 7 N -1.28 4.71 -0.18 2.62 -4.23 -1.26 -4.99 115.64 111.02 2be2 s THR 7 Ca 0.66 0.80 -0.19 0.00 -1.18 0.00 0.00 61.69 61.78 2be2 s THR 7 Cb -0.49 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 69.57 2be2 s THR 7 CO 0.54 -0.66 0.53 -0.69 -0.54 0.00 0.00 174.62 173.80 2be2 s VAL 8 N -2.56 5.11 0.34 2.29 1.01 -1.26 -4.97 120.40 120.37 2be2 s VAL 8 Ca 0.54 0.99 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 2be2 s VAL 8 Cb -0.10 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 2be2 s VAL 8 CO 0.34 0.20 1.35 -2.16 0.00 0.00 0.00 175.10 174.83 2be2 s PRO 9 N 1.48 4.29 0.13 2.72 0.04 -1.26 -4.25 135.00 138.15 2be2 s PRO 9 Ca 0.25 2.30 0.07 0.00 0.04 0.00 0.00 61.00 63.66 2be2 s PRO 9 Cb -0.15 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2be2 s PRO 9 CO 0.10 -0.28 -0.15 0.08 0.04 0.00 0.00 177.00 176.79 2be2 s VAL 10 N -1.14 1.47 0.03 -0.36 1.01 -1.26 -5.07 120.40 115.08 2be2 s VAL 10 Ca 0.50 -1.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.67 2be2 s VAL 10 Cb -0.41 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2be2 s VAL 10 CO 0.55 -0.39 0.04 -0.54 0.00 0.00 0.00 175.10 174.76 2be2 s LYS 11 N -2.72 0.46 0.45 2.72 1.02 -1.26 -4.82 119.74 115.59 2be2 s LYS 11 Ca 0.11 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.29 2be2 s LYS 11 Cb -0.05 0.18 -0.06 0.00 -0.52 0.00 0.00 37.83 37.38 2be2 s LYS 11 CO 0.04 -0.10 0.82 -0.51 -0.92 0.00 0.00 175.35 174.69 2be2 s LEU 12 N -1.85 3.72 0.80 3.17 1.43 -1.26 -1.37 118.68 123.31 2be2 s LEU 12 Ca -0.09 1.19 -0.14 0.00 -1.03 0.00 0.00 54.13 54.05 2be2 s LEU 12 Cb -0.04 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 42.10 2be2 s LEU 12 CO -0.03 -0.49 0.80 0.29 0.23 0.00 0.00 176.35 177.14 2be2 n LYS 13 N -1.61 0.16 -1.63 1.70 5.02 0.14 -4.60 118.16 117.34 2be2 n LYS 13 Ca 0.03 0.11 -0.47 0.00 -2.02 0.00 0.00 58.31 55.96 2be2 n LYS 13 Cb 0.54 -2.10 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 2be2 n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2be2 n PRO 14 N -1.96 1.63 0.00 1.97 -0.02 -1.26 -2.45 135.00 132.91 2be2 n PRO 14 Ca 0.11 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2be2 n PRO 14 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2be2 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2be2 n GLY 15 N 2.24 1.99 3.72 -1.23 0.00 -1.26 -5.00 105.19 105.65 2be2 n GLY 15 Ca 0.14 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2be2 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2be2 s MET 16 N 0.00 1.19 0.35 1.61 -1.94 -1.03 -5.09 119.30 114.40 2be2 s MET 16 Ca 0.00 0.79 0.04 0.00 -1.71 0.00 0.00 55.69 54.80 2be2 s MET 16 Cb 0.00 -1.80 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 2be2 s MET 16 CO 0.00 -2.28 0.15 0.34 -0.01 0.00 0.00 175.02 173.22 2be2 s ASP 17 N -3.43 2.12 1.09 3.03 2.15 -1.26 -4.85 116.67 115.51 2be2 s ASP 17 Ca 0.64 -1.60 -0.16 0.00 0.43 0.00 0.00 52.55 51.86 2be2 s ASP 17 Cb -0.18 0.40 0.13 0.00 -0.30 0.00 0.00 42.92 42.98 2be2 s ASP 17 CO 0.57 -0.89 0.38 0.61 -0.17 0.00 0.00 175.17 175.66 2be2 n GLY 18 N -0.73 -2.16 3.80 2.66 0.00 -1.26 -4.94 105.19 102.57 2be2 n GLY 18 Ca -0.02 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 2be2 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2be2 s PRO 19 N -3.76 4.21 -0.56 1.61 0.04 -1.26 -4.99 135.00 130.28 2be2 s PRO 19 Ca 0.60 0.73 0.06 0.00 0.04 0.00 0.00 61.00 62.43 2be2 s PRO 19 Cb -0.17 -3.25 0.24 0.00 0.04 0.00 0.00 34.50 31.35 2be2 s PRO 19 CO 0.66 0.61 0.63 1.63 0.04 0.00 0.00 177.00 180.57 2be2 n LYS 20 N 1.85 1.78 -3.58 4.56 5.02 -1.25 0.21 118.16 126.76 2be2 n LYS 20 Ca -0.10 -4.13 -0.36 0.00 -2.02 0.00 0.00 58.31 51.70 2be2 n LYS 20 Cb 0.51 -1.91 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 2be2 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2be2 s VAL 21 N -1.85 5.32 0.31 -0.18 1.01 -0.47 -4.86 120.40 119.68 2be2 s VAL 21 Ca 0.37 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.56 2be2 s VAL 21 Cb 0.13 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 2be2 s VAL 21 CO -0.07 0.41 0.98 -0.75 0.00 0.00 0.00 175.10 175.67 2be2 s LYS 22 N 0.39 4.60 -0.09 2.72 2.47 -1.26 -4.01 119.74 124.56 2be2 s LYS 22 Ca 0.15 1.46 -0.22 0.00 -1.56 0.00 0.00 55.97 55.79 2be2 s LYS 22 Cb -0.13 -2.93 -0.04 0.00 -1.46 0.00 0.00 37.83 33.28 2be2 s LYS 22 CO 0.03 0.27 0.66 -1.14 0.16 0.00 0.00 175.35 175.32 2be2 s GLN 23 N -1.83 4.40 -0.36 4.03 2.00 -1.26 -4.72 119.66 121.93 2be2 s GLN 23 Ca 0.48 0.78 -0.13 0.00 -2.00 0.00 0.00 55.36 54.50 2be2 s GLN 23 Cb -0.23 -3.46 -0.00 0.00 0.80 0.00 0.00 33.01 30.12 2be2 s GLN 23 CO 0.29 0.05 0.24 -1.58 -0.50 0.00 0.00 175.29 173.79 2be2 s TRP 24 N 0.87 3.23 0.98 1.67 0.51 -1.26 -5.04 118.94 119.90 2be2 s TRP 24 Ca 0.35 -0.38 -0.15 0.00 -2.12 0.00 0.00 56.10 53.80 2be2 s TRP 24 Cb -0.17 -2.49 -0.05 0.00 -0.81 0.00 0.00 33.47 29.95 2be2 s TRP 24 CO 0.16 -0.44 -0.21 -2.30 -0.51 0.00 0.00 176.95 173.65 2be2 n PRO 25 N 5.10 -0.19 -0.56 4.98 -0.02 -1.26 -5.03 135.00 138.01 2be2 n PRO 25 Ca -0.12 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2be2 n PRO 25 Cb 0.49 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 2be2 n PRO 25 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2be2 n LEU 26 N 0.97 0.00 -3.80 2.45 7.94 -1.26 -5.12 117.00 118.18 2be2 n LEU 26 Ca 0.02 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.56 2be2 n LEU 26 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 2be2 n LEU 26 CO 0.51 0.00 -0.45 0.41 -1.11 0.00 0.00 177.39 176.75 2be2 n THR 27 N 0.00 0.36 -0.13 1.96 -1.04 -1.26 -4.70 114.28 109.47 2be2 n THR 27 Ca 0.00 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.05 61.51 2be2 n THR 27 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2be2 n THR 27 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2be2 h GLU 28 N 0.18 0.39 0.02 -2.82 4.81 -1.98 -1.87 114.58 113.31 2be2 h GLU 28 Ca -0.34 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.59 2be2 h GLU 28 Cb 1.28 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.60 2be2 h GLU 28 CO 0.40 0.26 -1.08 1.05 -0.73 0.00 0.00 179.01 178.91 2be2 h GLU 29 N 0.40 0.68 -0.75 1.92 4.11 -1.99 -3.00 114.58 115.96 2be2 h GLU 29 Ca 0.18 -0.76 -0.02 0.00 0.07 0.00 0.00 59.36 58.83 2be2 h GLU 29 Cb 0.11 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2be2 h GLU 29 CO -0.14 1.33 0.39 0.87 0.07 0.00 0.00 179.01 181.54 2be2 h LYS 30 N 0.37 1.05 -0.14 1.06 1.57 -1.87 0.41 116.57 119.03 2be2 h LYS 30 Ca -0.14 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.37 2be2 h LYS 30 Cb 1.73 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 2be2 h LYS 30 CO 0.21 0.78 -0.53 0.82 -0.57 0.00 0.00 179.45 180.16 2be2 h ILE 31 N 1.05 1.34 -0.21 1.86 2.04 -1.42 -2.43 117.51 119.74 2be2 h ILE 31 Ca 0.26 -1.79 -0.13 0.00 1.00 0.00 0.00 64.86 64.20 2be2 h ILE 31 Cb 0.05 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2be2 h ILE 31 CO -0.04 0.54 -0.43 0.11 0.00 0.00 0.00 178.15 178.33 2be2 h LYS 32 N 0.30 0.52 -0.53 2.37 1.57 -1.12 -2.10 116.57 117.57 2be2 h LYS 32 Ca 0.01 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2be2 h LYS 32 Cb 1.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2be2 h LYS 32 CO 0.09 0.85 0.27 0.00 -0.57 0.00 0.00 179.45 180.09 2be2 h ALA 33 N 1.11 0.68 0.61 3.86 0.00 -0.02 -2.42 119.26 123.08 2be2 h ALA 33 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2be2 h ALA 33 Cb 0.93 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2be2 h ALA 33 CO 0.08 0.22 -0.29 -0.07 0.00 0.00 0.00 179.25 179.19 2be2 h LEU 34 N 0.71 -0.69 -0.93 0.00 3.38 -1.18 -0.74 115.31 115.85 2be2 h LEU 34 Ca 0.18 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.40 2be2 h LEU 34 Cb 0.09 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 40.89 2be2 h LEU 34 CO -0.03 -0.47 0.43 0.58 0.09 0.00 0.00 178.44 179.05 2be2 h VAL 35 N -0.86 0.44 -0.31 1.22 2.07 -1.35 1.09 116.25 118.55 2be2 h VAL 35 Ca -0.08 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.13 2be2 h VAL 35 Cb 0.64 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2be2 h VAL 35 CO 0.14 0.07 -0.47 -0.33 0.02 0.00 0.00 177.57 177.00 2be2 h GLU 36 N 0.40 0.82 -0.10 1.57 5.08 -1.17 -0.84 114.58 120.35 2be2 h GLU 36 Ca 0.60 -0.47 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2be2 h GLU 36 Cb 1.18 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2be2 h GLU 36 CO -0.54 1.11 -0.13 0.82 -1.00 0.00 0.00 179.01 179.26 2be2 h ILE 37 N 0.65 1.38 0.00 3.13 2.04 0.84 -2.93 117.51 122.62 2be2 h ILE 37 Ca 0.04 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 2be2 h ILE 37 Cb 1.05 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2be2 h ILE 37 CO 0.10 0.38 -0.21 0.00 0.00 0.00 0.00 178.15 178.43 2be2 h THR 39 N 0.00 1.29 -0.54 0.00 1.03 -1.17 0.12 112.91 113.65 2be2 h THR 39 Ca -0.00 -2.07 -0.09 0.00 -0.01 0.00 0.00 66.41 64.23 2be2 h THR 39 Cb 0.60 2.10 -0.02 0.00 -1.07 0.00 0.00 68.15 69.76 2be2 h THR 39 CO 0.03 0.65 -0.04 -0.08 -0.01 0.00 0.00 175.52 176.07 2be2 h GLU 40 N 0.47 0.96 -0.44 0.00 4.57 -1.29 -1.91 114.58 116.93 2be2 h GLU 40 Ca -0.07 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 57.73 2be2 h GLU 40 Cb 1.47 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 2be2 h GLU 40 CO 0.17 0.97 -0.03 0.52 -1.18 0.00 0.00 179.01 179.45 2be2 h MET 41 N 0.88 0.80 -0.73 1.92 2.86 -1.09 -2.74 114.93 116.82 2be2 h MET 41 Ca 0.15 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2be2 h MET 41 Cb 0.56 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 2be2 h MET 41 CO 0.03 0.88 0.48 1.49 1.06 0.00 0.00 176.91 180.86 2be2 h GLU 42 N 0.64 0.95 -0.63 1.72 4.81 -0.78 -1.49 114.58 119.80 2be2 h GLU 42 Ca 0.12 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2be2 h GLU 42 Cb 0.54 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2be2 h GLU 42 CO 0.03 0.63 0.42 0.87 -0.73 0.00 0.00 179.01 180.22 2be2 h LYS 43 N 0.98 0.80 -0.00 1.92 1.57 -1.20 -1.98 116.57 118.64 2be2 h LYS 43 Ca 0.27 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2be2 h LYS 43 Cb -0.09 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.04 2be2 h LYS 43 CO -0.07 0.53 -0.01 0.39 -0.57 0.00 0.00 179.45 179.72 2be2 n GLU 44 N -4.45 1.13 0.00 3.15 1.02 -0.62 -4.93 120.64 115.95 2be2 n GLU 44 Ca 0.07 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2be2 n GLU 44 Cb 0.06 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2be2 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2be2 n GLY 45 N 1.09 2.46 0.39 0.62 0.00 -0.75 -4.90 105.19 104.09 2be2 n GLY 45 Ca 0.21 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.43 2be2 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2be2 h LYS 46 N 2.26 0.09 -3.88 1.61 6.56 -1.70 -3.42 116.57 118.08 2be2 h LYS 46 Ca 0.00 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.48 2be2 h LYS 46 Cb 0.00 -0.02 -0.12 0.00 -0.57 0.00 0.00 32.23 31.52 2be2 h LYS 46 CO 0.00 0.06 -0.28 0.96 -2.06 0.00 0.00 179.45 178.13 2be2 s ILE 47 N -5.10 0.04 -0.08 1.86 -4.36 -1.25 -1.97 121.20 110.34 2be2 s ILE 47 Ca -0.06 -1.44 -0.06 0.00 -0.26 0.00 0.00 60.65 58.83 2be2 s ILE 47 Cb 0.20 -2.01 0.03 0.00 1.25 0.00 0.00 42.46 41.93 2be2 s ILE 47 CO 0.74 -0.17 0.20 -0.44 0.24 0.00 0.00 174.94 175.52 2be2 s SER 48 N -3.00 -0.21 0.11 4.36 0.01 -0.35 -4.36 113.70 110.27 2be2 s SER 48 Ca 0.21 0.42 -0.31 0.00 1.31 0.00 0.00 55.95 57.58 2be2 s SER 48 Cb 0.02 0.38 -0.10 0.00 0.21 0.00 0.00 66.02 66.53 2be2 s SER 48 CO 0.04 -0.10 1.81 -0.54 0.41 0.00 0.00 173.24 174.86 2be2 s LYS 49 N 0.52 4.14 0.11 12.44 1.02 -1.26 -1.43 119.74 135.29 2be2 s LYS 49 Ca -0.03 2.56 0.02 0.00 0.02 0.00 0.00 55.97 58.54 2be2 s LYS 49 Cb -0.05 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 2be2 s LYS 49 CO -0.03 -0.83 0.23 0.96 -0.92 0.00 0.00 175.35 174.76 2be2 s ILE 50 N 2.76 5.23 1.10 2.17 -4.36 -0.23 -4.93 121.20 122.95 2be2 s ILE 50 Ca 0.80 -0.61 -0.13 0.00 -0.26 0.00 0.00 60.65 60.45 2be2 s ILE 50 Cb -0.45 -3.63 0.25 0.00 1.25 0.00 0.00 42.46 39.88 2be2 s ILE 50 CO 0.36 0.01 1.05 -0.83 0.24 0.00 0.00 174.94 175.77 2be2 s GLY 51 N -2.90 1.55 0.00 6.27 0.00 -1.26 -4.70 107.32 106.28 2be2 s GLY 51 Ca 0.34 -0.22 0.08 0.00 0.00 0.00 0.00 44.72 44.93 2be2 s GLY 51 CO 0.27 0.46 0.92 -1.55 0.00 0.00 0.00 173.10 173.21 2be2 n PRO 52 N -4.64 0.40 0.00 2.90 -0.04 -1.26 -4.44 135.00 127.92 2be2 n PRO 52 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2be2 n PRO 52 Cb 0.55 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2be2 n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2be2 n GLU 53 N -0.83 0.00 0.00 0.54 4.71 -1.26 -4.93 120.64 118.88 2be2 n GLU 53 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2be2 n GLU 53 Cb 0.03 -0.44 0.00 0.00 -1.01 0.00 0.00 31.44 30.02 2be2 n GLU 53 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 2be2 n ASN 54 N 0.00 0.00 -4.37 1.62 4.05 -1.26 -5.11 115.26 110.19 2be2 n ASN 54 Ca 0.00 -0.78 -0.44 0.00 0.45 0.00 0.00 54.58 53.81 2be2 n ASN 54 Cb 0.00 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.00 2be2 n ASN 54 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2be2 n PRO 55 N 0.00 0.14 0.00 1.20 -0.02 -1.26 -4.91 135.00 130.14 2be2 n PRO 55 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2be2 n PRO 55 Cb 0.20 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2be2 n PRO 55 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2be2 n TYR 56 N -0.61 -0.23 -3.60 6.00 4.02 -1.26 -4.98 117.16 116.50 2be2 n TYR 56 Ca 0.13 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.88 2be2 n TYR 56 Cb 0.35 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.61 2be2 n TYR 56 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2be2 s ASN 57 N -1.39 -0.42 -0.03 7.72 2.47 0.13 -4.53 114.94 118.90 2be2 s ASN 57 Ca 0.00 0.21 0.01 0.00 0.42 0.00 0.00 52.86 53.51 2be2 s ASN 57 Cb 0.00 0.47 0.01 0.00 -1.45 0.00 0.00 41.25 40.28 2be2 s ASN 57 CO 0.00 -0.66 -0.05 -0.89 -3.72 0.00 0.00 177.10 171.78 2be2 s THR 58 N -2.13 0.51 0.38 -5.21 2.01 -0.92 -1.36 115.64 108.91 2be2 s THR 58 Ca -0.07 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.49 2be2 s THR 58 Cb -0.01 -0.50 -0.11 0.00 0.01 0.00 0.00 72.50 71.89 2be2 s THR 58 CO 0.01 0.19 1.28 -0.81 -0.69 0.00 0.00 174.62 174.59 2be2 n PRO 59 N 3.61 2.03 -4.31 4.92 -0.04 -1.26 -4.52 135.00 135.43 2be2 n PRO 59 Ca -0.21 0.72 -0.28 0.00 -0.04 0.00 0.00 63.50 63.69 2be2 n PRO 59 Cb 0.53 -2.35 -0.10 0.00 -0.04 0.00 0.00 33.50 31.54 2be2 n PRO 59 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2be2 s VAL 60 N -1.15 2.99 0.28 0.52 1.01 -1.26 -2.77 120.40 120.03 2be2 s VAL 60 Ca 0.58 -1.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 2be2 s VAL 60 Cb -0.54 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2be2 s VAL 60 CO 0.60 -0.05 0.47 -0.36 0.00 0.00 0.00 175.10 175.77 2be2 s PHE 61 N -1.54 0.62 -0.11 5.22 0.40 -0.59 -4.93 117.98 117.05 2be2 s PHE 61 Ca 0.22 -0.95 -0.08 0.00 -0.60 0.00 0.00 56.93 55.52 2be2 s PHE 61 Cb -0.09 0.10 0.04 0.00 0.51 0.00 0.00 43.02 43.58 2be2 s PHE 61 CO 0.13 -1.06 0.29 0.00 0.70 0.00 0.00 175.22 175.28 2be2 s ALA 62 N -3.60 -0.69 0.14 5.36 0.00 -1.26 -2.02 121.76 119.68 2be2 s ALA 62 Ca 0.26 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.29 2be2 s ALA 62 Cb -0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2be2 s ALA 62 CO 0.13 -0.18 -0.19 0.42 0.00 0.00 0.00 175.76 175.94 2be2 s ILE 63 N 0.81 1.75 -0.13 0.00 -1.09 0.34 -4.92 121.20 117.96 2be2 s ILE 63 Ca -0.05 -1.77 -0.29 0.00 -2.23 0.00 0.00 60.65 56.31 2be2 s ILE 63 Cb -0.07 -1.72 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 2be2 s ILE 63 CO -0.05 -0.23 1.88 -1.59 -1.23 0.00 0.00 174.94 173.72 2be2 s LYS 64 N -2.46 3.75 1.07 2.79 0.00 -1.26 0.10 119.74 123.72 2be2 s LYS 64 Ca 0.12 2.07 -0.14 0.00 0.00 0.00 0.00 55.97 58.02 2be2 s LYS 64 Cb -0.07 -4.16 0.22 0.00 0.00 0.00 0.00 37.83 33.82 2be2 s LYS 64 CO 0.05 -1.38 1.09 0.21 0.00 0.00 0.00 175.35 175.32 2be2 s LYS 65 N 5.01 -0.14 0.00 1.78 2.20 -1.10 -4.81 119.74 122.68 2be2 s LYS 65 Ca 0.84 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 2be2 s LYS 65 Cb -0.33 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.31 2be2 s LYS 65 CO 0.34 -3.09 1.54 1.17 -0.36 0.00 0.00 175.35 174.95 2be2 n LYS 66 N -4.41 0.88 -3.64 4.03 4.81 -1.26 -4.41 118.16 114.15 2be2 n LYS 66 Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.42 2be2 n LYS 66 Cb 0.57 -1.06 -0.07 0.00 0.02 0.00 0.00 35.03 34.49 2be2 n LYS 66 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2be2 s ASP 67 N 1.76 -0.75 0.00 3.14 2.15 -1.26 -5.10 116.67 116.61 2be2 s ASP 67 Ca 0.00 1.27 0.20 0.00 0.43 0.00 0.00 52.55 54.45 2be2 s ASP 67 Cb 0.00 1.30 0.61 0.00 -0.30 0.00 0.00 42.92 44.53 2be2 s ASP 67 CO 0.00 -0.21 1.47 -1.20 -0.17 0.00 0.00 175.17 175.06 2be2 n SER 68 N 3.57 2.16 0.03 -0.34 7.64 -1.26 -3.99 113.62 121.44 2be2 n SER 68 Ca -0.17 -1.83 -0.13 0.00 1.01 0.00 0.00 58.87 57.75 2be2 n SER 68 Cb 0.57 -0.17 -0.14 0.00 -1.01 0.00 0.00 64.21 63.47 2be2 n SER 68 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2be2 h THR 69 N 2.75 1.14 -2.84 0.44 2.02 -1.99 -3.45 112.91 110.99 2be2 h THR 69 Ca 0.00 -2.87 -0.66 0.00 0.77 0.00 0.00 66.41 63.65 2be2 h THR 69 Cb 0.61 2.66 -0.09 0.00 -1.74 0.00 0.00 68.15 69.59 2be2 h THR 69 CO 0.00 0.76 -0.50 -0.54 0.37 0.00 0.00 175.52 175.61 2be2 s LYS 70 N -2.63 3.49 0.54 6.66 1.02 -1.26 -5.06 119.74 122.51 2be2 s LYS 70 Ca -0.07 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 55.78 2be2 s LYS 70 Cb 0.08 -3.17 0.05 0.00 -0.52 0.00 0.00 37.83 34.27 2be2 s LYS 70 CO 0.83 0.69 0.75 -1.58 -0.92 0.00 0.00 175.35 175.12 2be2 s TRP 71 N -0.78 2.50 -0.04 3.18 0.52 -1.26 -2.72 118.94 120.33 2be2 s TRP 71 Ca 0.13 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.01 2be2 s TRP 71 Cb -0.12 -2.61 0.02 0.00 -1.15 0.00 0.00 33.47 29.62 2be2 s TRP 71 CO 0.03 -0.89 -0.03 0.50 0.02 0.00 0.00 176.95 176.58 2be2 s ARG 72 N -4.68 0.68 0.58 4.98 6.06 0.11 -4.79 118.95 121.90 2be2 s ARG 72 Ca 0.58 -0.04 -0.17 0.00 -2.50 0.00 0.00 55.73 53.61 2be2 s ARG 72 Cb -0.09 -0.78 -0.04 0.00 0.06 0.00 0.00 34.95 34.10 2be2 s ARG 72 CO 0.38 -0.12 1.07 0.21 -2.50 0.00 0.00 175.30 174.34 2be2 s LYS 73 N 1.08 3.32 -0.23 5.12 2.20 -1.26 -0.50 119.74 129.47 2be2 s LYS 73 Ca -0.09 1.33 -0.10 0.00 -0.36 0.00 0.00 55.97 56.75 2be2 s LYS 73 Cb -0.14 -2.02 0.09 0.00 -1.51 0.00 0.00 37.83 34.24 2be2 s LYS 73 CO -0.01 -0.83 0.53 -1.17 -0.36 0.00 0.00 175.35 173.51 2be2 s LEU 74 N -4.27 -0.65 -0.06 5.43 2.96 -0.86 -4.86 118.68 116.37 2be2 s LEU 74 Ca 0.66 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.80 2be2 s LEU 74 Cb -0.18 1.78 -0.03 0.00 0.50 0.00 0.00 46.19 48.26 2be2 s LEU 74 CO 0.33 -0.22 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.33 2be2 s VAL 75 N 2.07 3.24 -0.77 1.68 1.01 -1.26 -1.54 120.40 124.84 2be2 s VAL 75 Ca -0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2be2 s VAL 75 Cb -0.09 -2.29 0.20 0.00 0.00 0.00 0.00 36.38 34.20 2be2 s VAL 75 CO -0.16 0.59 0.66 -0.62 0.00 0.00 0.00 175.10 175.58 2be2 s ASP 76 N -0.73 6.10 0.00 3.32 2.15 -1.11 -4.76 116.67 121.64 2be2 s ASP 76 Ca 0.11 -2.93 0.21 0.00 0.43 0.00 0.00 52.55 50.37 2be2 s ASP 76 Cb -0.11 -2.04 1.23 0.00 -0.30 0.00 0.00 42.92 41.70 2be2 s ASP 76 CO 0.01 -0.43 1.77 0.49 -0.17 0.00 0.00 175.17 176.84 2be2 n PHE 77 N 3.52 0.00 -0.21 -5.34 3.01 -1.26 -4.36 117.46 112.81 2be2 n PHE 77 Ca 0.13 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.76 2be2 n PHE 77 Cb 0.42 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.21 2be2 n PHE 77 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2be2 n ARG 78 N -0.83 -0.04 0.06 -1.08 0.63 -1.26 0.18 116.66 114.31 2be2 n ARG 78 Ca 0.15 0.91 -0.14 0.00 -0.92 0.00 0.00 57.85 57.85 2be2 n ARG 78 Cb 0.07 -1.57 -0.05 0.00 0.45 0.00 0.00 32.46 31.35 2be2 n ARG 78 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2be2 h GLU 79 N 0.00 0.46 -0.13 -0.14 4.57 -2.00 -2.72 114.58 114.62 2be2 h GLU 79 Ca 0.50 -0.49 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2be2 h GLU 79 Cb 1.26 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.99 2be2 h GLU 79 CO -0.53 1.14 -0.17 1.25 -1.18 0.00 0.00 179.01 179.52 2be2 h LEU 80 N 0.26 0.37 -1.31 1.64 5.85 0.15 -2.92 115.31 119.36 2be2 h LEU 80 Ca -0.08 -0.51 0.20 0.00 0.84 0.00 0.00 57.88 58.33 2be2 h LEU 80 Cb 1.58 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.42 2be2 h LEU 80 CO 0.17 0.81 0.61 0.78 -0.34 0.00 0.00 178.44 180.47 2be2 h ASN 81 N -0.06 0.56 0.23 1.25 2.35 -0.34 0.40 115.58 119.97 2be2 h ASN 81 Ca 0.02 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 2be2 h ASN 81 Cb 0.72 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 2be2 h ASN 81 CO 0.04 0.21 -0.49 0.50 -1.65 0.00 0.00 177.43 176.03 2be2 h LYS 82 N 0.55 0.30 -0.01 0.81 3.64 -1.30 -3.05 116.57 117.51 2be2 h LYS 82 Ca 0.52 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2be2 h LYS 82 Cb 1.09 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2be2 h LYS 82 CO -0.26 0.73 -0.06 0.54 -2.27 0.00 0.00 179.45 178.13 2be2 n ARG 83 N -3.96 1.54 -3.53 1.90 1.74 0.02 -4.91 116.66 109.46 2be2 n ARG 83 Ca -0.02 -0.94 -0.37 0.00 -0.77 0.00 0.00 57.85 55.75 2be2 n ARG 83 Cb 0.55 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 2be2 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2be2 s THR 84 N -2.11 5.05 0.70 0.55 2.01 -0.52 0.27 115.64 121.59 2be2 s THR 84 Ca 0.34 0.74 -0.16 0.00 0.31 0.00 0.00 61.69 62.92 2be2 s THR 84 Cb 0.21 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2be2 s THR 84 CO 0.37 0.52 0.93 0.00 -0.69 0.00 0.00 174.62 175.75 2be2 n GLN 85 N 1.62 0.56 -1.98 4.92 10.64 -0.47 -4.56 117.38 128.10 2be2 n GLN 85 Ca -0.13 0.24 -0.34 0.00 -1.83 0.00 0.00 57.00 54.95 2be2 n GLN 85 Cb 0.52 -2.18 0.03 0.00 -0.86 0.00 0.00 30.24 27.75 2be2 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2be2 s ASP 86 N -1.56 5.40 0.32 2.61 -0.00 -1.26 -4.93 116.67 117.25 2be2 s ASP 86 Ca 0.73 2.06 0.07 0.00 -0.00 0.00 0.00 52.55 55.42 2be2 s ASP 86 Cb -0.36 -2.56 -0.06 0.00 -0.00 0.00 0.00 42.92 39.94 2be2 s ASP 86 CO 0.50 -1.43 -0.06 -0.36 -0.00 0.00 0.00 175.17 173.82 2be2 s PHE 87 N -2.11 2.16 0.09 4.23 0.40 -1.26 -5.07 117.98 116.41 2be2 s PHE 87 Ca 0.69 -0.65 -0.31 0.00 -0.60 0.00 0.00 56.93 56.07 2be2 s PHE 87 Cb -0.22 -1.28 -0.09 0.00 0.51 0.00 0.00 43.02 41.94 2be2 s PHE 87 CO 0.35 0.38 1.82 -0.46 0.70 0.00 0.00 175.22 178.01 2be2 s TRP 88 N -2.87 1.98 0.09 0.36 -0.00 -1.26 -4.86 118.94 112.38 2be2 s TRP 88 Ca 0.32 -0.06 -0.31 0.00 -0.00 0.00 0.00 56.10 56.05 2be2 s TRP 88 Cb 0.04 -4.14 -0.10 0.00 -0.00 0.00 0.00 33.47 29.27 2be2 s TRP 88 CO 0.14 -4.81 1.83 -1.21 -0.00 0.00 0.00 176.95 172.91 2be2 s GLU 89 N 3.18 4.15 0.82 5.86 2.02 -1.26 -4.87 118.70 128.60 2be2 s GLU 89 Ca 0.81 2.56 -0.13 0.00 0.02 0.00 0.00 54.97 58.23 2be2 s GLU 89 Cb -0.44 -3.73 0.09 0.00 0.10 0.00 0.00 34.13 30.15 2be2 s GLU 89 CO 0.36 -0.86 1.19 1.33 0.02 0.00 0.00 175.26 177.31 2be2 n VAL 90 N 4.94 1.83 -1.46 2.63 0.24 -1.26 -4.75 118.33 120.50 2be2 n VAL 90 Ca 0.18 -0.19 -0.45 0.00 -2.04 0.00 0.00 64.34 61.84 2be2 n VAL 90 Cb 0.39 -1.18 -0.09 0.00 -1.47 0.00 0.00 33.84 31.49 2be2 n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2be2 n GLN 91 N -3.37 0.61 0.09 7.34 6.02 -1.26 -4.79 117.38 122.02 2be2 n GLN 91 Ca 0.13 0.10 -0.06 0.00 -0.01 0.00 0.00 57.00 57.17 2be2 n GLN 91 Cb 0.51 -2.27 0.05 0.00 1.02 0.00 0.00 30.24 29.55 2be2 n GLN 91 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 177.06 177.42 2be2 h LEU 92 N 13.51 0.17-10.72 1.08 8.10 -2.03 -3.45 115.31 121.96 2be2 h LEU 92 Ca -0.17 -0.12 -0.46 0.00 0.11 0.00 0.00 57.88 57.24 2be2 h LEU 92 Cb 1.32 -0.05 0.12 0.00 -0.44 0.00 0.00 40.66 41.61 2be2 h LEU 92 CO 1.18 0.87 0.34 -0.83 -4.11 0.00 0.00 178.44 175.88 2be2 s GLY 93 N -4.48 1.72 0.02 0.17 0.00 -1.26 -5.11 107.32 98.39 2be2 s GLY 93 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2be2 s GLY 93 CO 0.80 -0.50 -0.03 -0.42 0.00 0.00 0.00 173.10 172.96 2be2 s ILE 94 N -3.61 0.11 0.18 0.90 1.01 -1.26 -5.13 121.20 113.41 2be2 s ILE 94 Ca 0.68 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 2be2 s ILE 94 Cb -0.07 -0.24 -0.09 0.00 0.01 0.00 0.00 42.46 42.08 2be2 s ILE 94 CO 0.49 -0.42 1.38 -2.16 0.00 0.00 0.00 174.94 174.24 2be2 s PRO 95 N -1.23 4.33 -0.08 2.79 0.04 -1.26 -4.98 135.00 134.61 2be2 s PRO 95 Ca -0.13 2.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.81 2be2 s PRO 95 Cb -0.08 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2be2 s PRO 95 CO -0.01 -0.37 0.69 -1.58 0.04 0.00 0.00 177.00 175.78 2be2 s HIS 96 N 0.44 3.56 0.28 0.56 2.46 -1.26 -4.99 115.29 116.34 2be2 s HIS 96 Ca 0.60 1.21 -0.06 0.00 0.47 0.00 0.00 55.06 57.28 2be2 s HIS 96 Cb -0.38 -2.80 0.50 0.00 -0.13 0.00 0.00 32.58 29.77 2be2 s HIS 96 CO 0.36 0.06 1.57 -1.35 -2.47 0.00 0.00 174.74 172.92 2be2 h PRO 97 N 6.82 0.01 0.00 2.88 0.11 -1.98 0.41 132.00 140.25 2be2 h PRO 97 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2be2 h PRO 97 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2be2 h PRO 97 CO 0.76 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 2be2 n ALA 98 N -3.43 1.80 0.36 -0.75 0.00 -1.26 -1.12 120.51 116.11 2be2 n ALA 98 Ca 0.17 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.65 2be2 n ALA 98 Cb 0.54 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 2be2 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2be2 n GLY 99 N -0.47 -0.84 3.78 0.00 0.00 0.14 -4.04 105.19 103.76 2be2 n GLY 99 Ca 0.06 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2be2 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2be2 s LEU 100 N -3.76 3.49 0.16 0.99 1.43 -0.27 -4.72 118.68 116.00 2be2 s LEU 100 Ca -0.01 1.96 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 2be2 s LEU 100 Cb 0.13 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 2be2 s LEU 100 CO 0.79 -1.40 0.17 -0.54 0.23 0.00 0.00 176.35 175.61 2be2 s LYS 101 N -3.94 3.03 0.13 1.70 1.02 -1.26 -0.84 119.74 119.58 2be2 s LYS 101 Ca 0.67 -0.79 -0.35 0.00 0.02 0.00 0.00 55.97 55.52 2be2 s LYS 101 Cb -0.19 -2.73 -0.15 0.00 -0.52 0.00 0.00 37.83 34.24 2be2 s LYS 101 CO 0.37 0.50 1.53 0.36 -0.92 0.00 0.00 175.35 177.19 2be2 n LYS 102 N -0.35 1.89 -4.33 1.68 2.85 -1.25 -4.90 118.16 113.75 2be2 n LYS 102 Ca -0.08 0.68 -0.19 0.00 -1.05 0.00 0.00 58.31 57.67 2be2 n LYS 102 Cb 0.54 -2.42 -0.15 0.00 -0.65 0.00 0.00 35.03 32.35 2be2 n LYS 102 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2be2 s LYS 103 N 0.90 0.83 0.13 -1.58 3.01 -1.26 -4.95 119.74 116.82 2be2 s LYS 103 Ca 0.81 -0.27 -0.14 0.00 -1.01 0.00 0.00 55.97 55.36 2be2 s LYS 103 Cb -0.75 -0.79 -0.01 0.00 -1.01 0.00 0.00 37.83 35.27 2be2 s LYS 103 CO 0.41 0.10 1.60 0.87 0.51 0.00 0.00 175.35 178.84 2be2 h LYS 104 N 6.36 0.73 -3.71 1.68 1.57 -1.88 -3.44 116.57 117.87 2be2 h LYS 104 Ca -0.33 -0.21 -0.28 0.00 -1.87 0.00 0.00 60.65 57.96 2be2 h LYS 104 Cb 1.17 -0.08 -0.31 0.00 0.08 0.00 0.00 32.23 33.09 2be2 h LYS 104 CO 0.49 0.77 -0.73 -1.54 -0.57 0.00 0.00 179.45 177.87 2be2 s SER 105 N -6.17 0.15 -0.09 0.86 1.04 -0.94 -5.03 113.70 103.53 2be2 s SER 105 Ca -0.13 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2be2 s SER 105 Cb 0.10 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2be2 s SER 105 CO 0.79 -0.05 -0.07 -0.69 0.98 0.00 0.00 173.24 174.20 2be2 s VAL 106 N 0.52 0.91 -0.09 5.02 1.01 -1.26 -1.52 120.40 124.99 2be2 s VAL 106 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2be2 s VAL 106 Cb -0.07 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2be2 s VAL 106 CO -0.01 0.34 -0.12 -0.89 0.00 0.00 0.00 175.10 174.42 2be2 s THR 107 N 1.50 3.22 -0.22 3.92 2.01 0.20 -4.97 115.64 121.30 2be2 s THR 107 Ca 0.00 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.29 2be2 s THR 107 Cb -0.13 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2be2 s THR 107 CO -0.05 0.56 0.07 -0.69 -0.69 0.00 0.00 174.62 173.82 2be2 s VAL 108 N -0.32 4.51 -0.14 3.82 1.01 -1.26 -0.25 120.40 127.77 2be2 s VAL 108 Ca 0.03 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2be2 s VAL 108 Cb -0.13 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2be2 s VAL 108 CO 0.03 0.38 -0.20 -0.76 0.00 0.00 0.00 175.10 174.54 2be2 s LEU 109 N 1.16 2.21 -0.27 3.92 1.43 0.48 -4.42 118.68 123.19 2be2 s LEU 109 Ca 0.04 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 2be2 s LEU 109 Cb -0.14 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2be2 s LEU 109 CO 0.03 0.09 0.30 -1.81 0.23 0.00 0.00 176.35 175.19 2be2 s ASP 110 N 0.79 6.17 0.22 2.29 -0.00 -1.26 -0.89 116.67 123.99 2be2 s ASP 110 Ca -0.07 0.18 -0.30 0.00 -0.00 0.00 0.00 52.55 52.36 2be2 s ASP 110 Cb -0.16 -2.18 -0.08 0.00 -0.00 0.00 0.00 42.92 40.50 2be2 s ASP 110 CO -0.01 -0.13 1.02 -0.69 -0.00 0.00 0.00 175.17 175.36 2be2 s VAL 111 N 1.92 3.92 -0.11 -1.27 1.01 0.25 -3.86 120.40 122.26 2be2 s VAL 111 Ca 0.12 1.82 -0.06 0.00 0.00 0.00 0.00 61.98 63.87 2be2 s VAL 111 Cb -0.16 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2be2 s VAL 111 CO 0.10 0.39 0.10 -0.83 0.00 0.00 0.00 175.10 174.86 2be2 s GLY 112 N -0.71 2.06 -1.30 4.51 0.00 -0.26 -4.15 107.32 107.47 2be2 s GLY 112 Ca 0.44 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 44.39 2be2 s GLY 112 CO 0.35 -0.40 1.13 1.22 0.00 0.00 0.00 173.10 175.40 2be2 n ASP 113 N 2.12 -5.93 -0.23 1.64 9.92 -1.26 -4.53 116.55 118.28 2be2 n ASP 113 Ca -0.19 -0.53 -0.08 0.00 -0.53 0.00 0.00 54.79 53.46 2be2 n ASP 113 Cb 0.54 -4.88 -0.07 0.00 -0.64 0.00 0.00 41.12 36.07 2be2 n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2be2 h ALA 114 N 0.97 -0.47 -0.72 2.24 0.00 -1.97 -1.90 119.26 117.43 2be2 h ALA 114 Ca -0.55 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2be2 h ALA 114 Cb 1.35 1.18 -0.03 0.00 0.00 0.00 0.00 17.79 20.29 2be2 h ALA 114 CO 0.54 -0.72 0.37 1.88 0.00 0.00 0.00 179.25 181.31 2be2 h TYR 115 N -0.09 1.01 0.00 0.00 -1.99 -1.89 -2.19 116.97 111.83 2be2 h TYR 115 Ca 0.09 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2be2 h TYR 115 Cb 0.33 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.74 2be2 h TYR 115 CO -0.90 0.73 0.00 1.19 -0.00 0.00 0.00 178.16 179.18 2be2 n PHE 116 N -4.45 0.00 1.05 4.88 0.99 -0.80 -1.74 117.46 117.39 2be2 n PHE 116 Ca 0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.62 2be2 n PHE 116 Cb 0.11 -0.11 0.12 0.00 -1.00 0.00 0.00 39.48 38.61 2be2 n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2be2 n SER 117 N -1.11 1.07 -4.41 4.37 7.64 -0.78 -4.71 113.62 115.70 2be2 n SER 117 Ca 0.10 -0.87 -0.34 0.00 1.01 0.00 0.00 58.87 58.78 2be2 n SER 117 Cb 0.08 0.49 -0.13 0.00 -1.01 0.00 0.00 64.21 63.64 2be2 n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2be2 s VAL 118 N -2.78 3.45 0.61 0.44 1.01 -0.71 -3.14 120.40 119.26 2be2 s VAL 118 Ca 0.15 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 2be2 s VAL 118 Cb 0.18 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2be2 s VAL 118 CO 0.68 0.49 1.23 -2.16 0.00 0.00 0.00 175.10 175.34 2be2 s PRO 119 N 0.61 2.85 -0.12 2.72 0.04 -1.26 -1.29 135.00 138.54 2be2 s PRO 119 Ca -0.05 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.83 2be2 s PRO 119 Cb -0.15 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2be2 s PRO 119 CO 0.03 -1.32 0.04 -1.17 0.04 0.00 0.00 177.00 174.62 2be2 s LEU 120 N -4.17 3.77 -0.42 -3.56 2.96 -0.77 -4.62 118.68 111.86 2be2 s LEU 120 Ca 0.79 0.17 -0.43 0.00 -0.22 0.00 0.00 54.13 54.43 2be2 s LEU 120 Cb -0.32 -1.90 -0.18 0.00 0.50 0.00 0.00 46.19 44.29 2be2 s LEU 120 CO 0.35 0.32 1.79 -0.67 -1.32 0.00 0.00 176.35 176.82 2be2 n ASP 121 N 2.54 1.55 -0.35 3.68 2.03 -1.26 -4.81 116.55 119.94 2be2 n ASP 121 Ca -0.18 1.00 0.01 0.00 0.52 0.00 0.00 54.79 56.13 2be2 n ASP 121 Cb 0.53 -0.99 0.07 0.00 -0.72 0.00 0.00 41.12 40.01 2be2 n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2be2 h GLU 122 N 7.01 -0.02 0.00 -0.67 4.57 -1.95 0.17 114.58 123.69 2be2 h GLU 122 Ca -0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2be2 h GLU 122 Cb 1.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2be2 h GLU 122 CO 1.00 -0.01 0.00 -0.44 -1.18 0.00 0.00 179.01 178.38 2be2 h ASP 123 N -0.02 0.00 0.01 1.04 3.32 -1.96 -2.50 116.42 116.31 2be2 h ASP 123 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2be2 h ASP 123 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2be2 h ASP 123 CO -0.95 0.00 -0.66 0.33 -1.72 0.00 0.00 179.24 176.24 2be2 n PHE 124 N -2.58 0.00 -0.09 4.55 7.35 0.59 -4.50 117.46 122.78 2be2 n PHE 124 Ca -0.01 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.59 2be2 n PHE 124 Cb 0.09 -0.01 -0.01 0.00 0.35 0.00 0.00 39.48 39.90 2be2 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2be2 h ARG 125 N 1.51 0.39 -1.35 -4.13 3.08 -1.30 -2.89 114.38 109.70 2be2 h ARG 125 Ca 0.00 -0.02 0.39 0.00 0.07 0.00 0.00 59.98 60.42 2be2 h ARG 125 Cb 0.66 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 2be2 h ARG 125 CO 0.00 0.26 1.02 1.57 -1.07 0.00 0.00 179.97 181.75 2be2 h LYS 126 N 0.40 0.00 -0.00 0.04 2.10 -1.79 0.61 116.57 117.93 2be2 h LYS 126 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2be2 h LYS 126 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2be2 h LYS 126 CO -0.03 0.00 -0.04 0.66 -2.00 0.00 0.00 179.45 178.04 2be2 n TYR 127 N -4.00 0.00 0.42 0.07 4.02 -1.09 -3.18 117.16 113.39 2be2 n TYR 127 Ca 0.30 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.30 2be2 n TYR 127 Cb 1.45 -0.18 0.24 0.00 -0.02 0.00 0.00 39.34 40.83 2be2 n TYR 127 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2be2 n THR 128 N -1.07 0.48 -1.64 -0.72 -2.24 0.21 -4.69 114.28 104.61 2be2 n THR 128 Ca 0.17 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 2be2 n THR 128 Cb 0.23 0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2be2 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2be2 n ALA 129 N 1.33 0.48 -2.60 6.98 0.00 -1.19 -4.35 120.51 121.16 2be2 n ALA 129 Ca 0.19 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.87 2be2 n ALA 129 Cb 0.57 -2.13 -0.07 0.00 0.00 0.00 0.00 19.45 17.81 2be2 n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2be2 s PHE 130 N -1.13 0.41 -0.04 0.00 -0.71 0.49 -2.17 117.98 114.83 2be2 s PHE 130 Ca 0.59 -0.79 -0.01 0.00 -1.04 0.00 0.00 56.93 55.68 2be2 s PHE 130 Cb -0.61 -0.11 0.03 0.00 -1.21 0.00 0.00 43.02 41.12 2be2 s PHE 130 CO 0.60 -0.65 0.07 0.95 -1.34 0.00 0.00 175.22 174.84 2be2 s THR 131 N -3.96 -0.05 -0.18 -4.49 -4.23 -1.26 -0.83 115.64 100.64 2be2 s THR 131 Ca 0.15 0.20 -0.20 0.00 -1.18 0.00 0.00 61.69 60.66 2be2 s THR 131 Cb 0.04 -0.13 -0.03 0.00 1.34 0.00 0.00 72.50 73.72 2be2 s THR 131 CO -0.02 0.08 0.58 0.27 -0.54 0.00 0.00 174.62 174.99 2be2 s ILE 132 N 1.06 5.07 1.06 2.99 -4.36 -0.92 -4.74 121.20 121.35 2be2 s ILE 132 Ca -0.09 1.10 -0.17 0.00 -0.26 0.00 0.00 60.65 61.24 2be2 s ILE 132 Cb -0.12 -3.90 0.06 0.00 1.25 0.00 0.00 42.46 39.74 2be2 s ILE 132 CO -0.04 0.16 0.01 -2.65 0.24 0.00 0.00 174.94 172.66 2be2 n PRO 133 N 4.74 -1.05 -0.47 0.37 -0.02 -1.26 -1.97 135.00 135.34 2be2 n PRO 133 Ca -0.03 -0.28 -0.02 0.00 -2.02 0.00 0.00 63.50 61.14 2be2 n PRO 133 Cb 0.50 -1.68 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 2be2 n PRO 133 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2be2 n SER 134 N -1.08 0.06 0.04 2.55 2.88 -1.26 -4.66 113.62 112.16 2be2 n SER 134 Ca 0.02 -1.07 -0.04 0.00 -1.33 0.00 0.00 58.87 56.45 2be2 n SER 134 Cb 0.60 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 2be2 n SER 134 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2be2 h ILE 135 N -0.75 0.00 -0.49 2.46 2.04 -1.96 -3.43 117.51 115.38 2be2 h ILE 135 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2be2 h ILE 135 Cb 0.11 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.00 2be2 h ILE 135 CO 0.03 0.00 -0.23 0.21 0.00 0.00 0.00 178.15 178.16 2be2 s ASN 136 N -2.95 -0.76 -1.12 1.72 2.47 -1.26 -4.95 114.94 108.08 2be2 s ASN 136 Ca -0.04 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 52.87 2be2 s ASN 136 Cb 0.01 1.00 0.00 0.00 -1.45 0.00 0.00 41.25 40.81 2be2 s ASN 136 CO 0.16 -0.09 0.00 -3.20 -3.72 0.00 0.00 177.10 170.25 2be2 n ASN 137 N 4.02 -4.21 0.00 -4.21 4.05 -1.26 -4.86 115.26 108.79 2be2 n ASN 137 Ca 0.07 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.34 2be2 n ASN 137 Cb 0.61 -2.76 0.00 0.00 1.23 0.00 0.00 39.78 38.85 2be2 n ASN 137 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2be2 n GLU 138 N -2.60 0.00 -2.96 1.20 1.02 -1.26 -5.03 120.64 111.01 2be2 n GLU 138 Ca -0.11 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.66 2be2 n GLU 138 Cb 0.39 -0.07 -0.06 0.00 -0.02 0.00 0.00 31.44 31.67 2be2 n GLU 138 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2be2 s THR 139 N -0.46 4.40 0.55 2.62 -1.32 -1.26 -4.94 115.64 115.23 2be2 s THR 139 Ca 0.00 1.55 0.39 0.00 -1.21 0.00 0.00 61.69 62.42 2be2 s THR 139 Cb 0.00 -3.95 0.59 0.00 -1.51 0.00 0.00 72.50 67.62 2be2 s THR 139 CO 0.00 0.22 1.77 1.55 -2.21 0.00 0.00 174.62 175.95 2be2 h PRO 140 N 3.43 0.00 0.00 7.08 0.13 -1.97 -3.36 132.00 137.31 2be2 h PRO 140 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2be2 h PRO 140 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2be2 h PRO 140 CO 0.65 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 2be2 n GLY 141 N -1.80 0.60 3.81 1.56 0.00 -1.26 -4.70 105.19 103.40 2be2 n GLY 141 Ca 0.29 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 2be2 n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2be2 s ILE 142 N -2.50 5.13 -0.21 -0.61 -4.36 -0.83 -4.91 121.20 112.92 2be2 s ILE 142 Ca 0.00 0.76 -0.10 0.00 -0.26 0.00 0.00 60.65 61.05 2be2 s ILE 142 Cb 0.00 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 39.97 2be2 s ILE 142 CO 0.00 0.51 0.13 -0.13 0.24 0.00 0.00 174.94 175.70 2be2 s ARG 143 N -0.58 4.15 0.12 0.37 0.52 -1.26 -2.16 118.95 120.11 2be2 s ARG 143 Ca 0.22 -0.24 0.06 0.00 -0.52 0.00 0.00 55.73 55.25 2be2 s ARG 143 Cb -0.16 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 2be2 s ARG 143 CO 0.11 0.25 -0.13 0.71 0.02 0.00 0.00 175.30 176.25 2be2 s TYR 144 N 0.51 1.35 0.01 -0.53 4.12 -0.01 -1.06 117.35 121.73 2be2 s TYR 144 Ca 0.08 -0.57 0.00 0.00 0.02 0.00 0.00 57.07 56.60 2be2 s TYR 144 Cb -0.12 -0.71 -0.01 0.00 -1.52 0.00 0.00 41.96 39.61 2be2 s TYR 144 CO -0.00 0.12 -0.02 1.14 0.02 0.00 0.00 175.55 176.81 2be2 s GLN 145 N -2.66 0.15 0.43 -0.62 -2.07 -0.51 -0.38 119.66 113.99 2be2 s GLN 145 Ca 0.08 -0.23 -0.24 0.00 -1.82 0.00 0.00 55.36 53.16 2be2 s GLN 145 Cb -0.05 -0.01 -0.08 0.00 -1.09 0.00 0.00 33.01 31.78 2be2 s GLN 145 CO 0.03 -0.01 1.12 0.71 -1.32 0.00 0.00 175.29 175.82 2be2 s TYR 146 N -0.51 3.06 0.00 9.60 2.02 -1.26 -1.22 117.35 129.04 2be2 s TYR 146 Ca -0.05 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.23 2be2 s TYR 146 Cb -0.04 -3.28 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 2be2 s TYR 146 CO -0.00 -1.13 0.51 0.09 -1.57 0.00 0.00 175.55 173.45 2be2 n ASN 147 N -0.26 1.02 -3.86 2.29 3.02 -0.83 -4.68 115.26 111.96 2be2 n ASN 147 Ca 0.06 -1.05 -0.15 0.00 -0.03 0.00 0.00 54.58 53.41 2be2 n ASN 147 Cb 0.48 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.57 2be2 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2be2 s VAL 148 N -0.05 0.00 -0.32 2.41 -7.23 -1.24 -1.84 120.40 112.13 2be2 s VAL 148 Ca 0.00 -1.97 -0.28 0.00 -1.81 0.00 0.00 61.98 57.92 2be2 s VAL 148 Cb 0.00 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2be2 s VAL 148 CO 0.00 0.00 1.94 -0.76 -0.31 0.00 0.00 175.10 175.97 2be2 s LEU 149 N -3.23 3.47 0.33 1.32 1.43 -0.41 -4.60 118.68 116.98 2be2 s LEU 149 Ca 0.39 1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 54.61 2be2 s LEU 149 Cb 0.05 -3.43 -0.11 0.00 0.03 0.00 0.00 46.19 42.73 2be2 s LEU 149 CO 0.18 -1.85 1.45 -2.84 0.23 0.00 0.00 176.35 173.52 2be2 s PRO 150 N 6.00 4.20 0.36 1.29 0.02 -1.26 -3.99 135.00 141.62 2be2 s PRO 150 Ca 0.85 2.44 0.15 0.00 0.02 0.00 0.00 61.00 64.46 2be2 s PRO 150 Cb -0.25 -3.03 0.82 0.00 0.02 0.00 0.00 34.50 32.07 2be2 s PRO 150 CO 0.33 -0.44 1.38 1.96 -0.33 0.00 0.00 177.00 179.89 2be2 h GLN 151 N 3.76 0.00 0.00 5.54 1.08 -1.95 -2.81 115.11 120.73 2be2 h GLN 151 Ca -0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2be2 h GLN 151 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2be2 h GLN 151 CO 0.69 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.98 2be2 n GLY 152 N -1.27 -0.14 3.77 3.46 0.00 -1.26 -5.08 105.19 104.68 2be2 n GLY 152 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2be2 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2be2 s TRP 153 N -0.20 2.66 0.22 1.61 -0.00 -1.06 -4.75 118.94 117.42 2be2 s TRP 153 Ca 0.00 1.55 -0.09 0.00 -0.00 0.00 0.00 56.10 57.56 2be2 s TRP 153 Cb 0.00 -3.25 0.22 0.00 -0.00 0.00 0.00 33.47 30.44 2be2 s TRP 153 CO 0.00 -1.60 1.85 -0.22 -0.00 0.00 0.00 176.95 176.98 2be2 h LYS 154 N 0.87 0.88 -0.00 5.86 3.64 -1.92 -3.10 116.57 122.80 2be2 h LYS 154 Ca -0.49 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2be2 h LYS 154 Cb 1.26 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2be2 h LYS 154 CO 0.56 0.58 -0.08 0.41 -2.27 0.00 0.00 179.45 178.65 2be2 n GLY 155 N -1.30 -0.98 0.18 5.01 0.00 -1.26 -4.34 105.19 102.48 2be2 n GLY 155 Ca 0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 2be2 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2be2 h SER 156 N 0.47 0.47 0.03 1.61 0.02 -1.85 -1.97 113.55 112.33 2be2 h SER 156 Ca 0.00 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2be2 h SER 156 Cb 0.33 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2be2 h SER 156 CO 0.00 0.40 -0.05 -0.65 -1.14 0.00 0.00 176.83 175.39 2be2 h PRO 157 N 0.50 -0.10 -0.44 3.45 0.11 -1.81 -1.36 132.00 132.36 2be2 h PRO 157 Ca 0.14 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 2be2 h PRO 157 Cb 0.02 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 2be2 h PRO 157 CO -0.02 -0.07 -0.28 0.00 -0.21 0.00 0.00 178.00 177.42 2be2 h ALA 158 N 0.87 0.67 -0.38 -0.75 0.00 -1.84 -1.67 119.26 116.17 2be2 h ALA 158 Ca 0.01 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2be2 h ALA 158 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2be2 h ALA 158 CO -0.03 0.67 -0.40 0.82 0.00 0.00 0.00 179.25 180.31 2be2 h ILE 159 N 0.81 1.27 0.18 0.00 2.04 -1.34 -1.72 117.51 118.75 2be2 h ILE 159 Ca 0.09 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 2be2 h ILE 159 Cb 0.85 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2be2 h ILE 159 CO 0.08 0.53 -0.09 0.15 0.00 0.00 0.00 178.15 178.82 2be2 h PHE 160 N 0.76 -0.23 -0.40 1.37 3.57 -1.20 -1.24 116.94 119.57 2be2 h PHE 160 Ca 0.06 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.63 2be2 h PHE 160 Cb 1.00 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 2be2 h PHE 160 CO 0.06 -0.11 -0.04 0.37 -2.23 0.00 0.00 178.31 176.37 2be2 h GLN 161 N -0.28 0.06 -0.47 1.11 4.15 -1.20 0.78 115.11 119.27 2be2 h GLN 161 Ca -0.02 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 2be2 h GLN 161 Cb 0.22 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2be2 h GLN 161 CO 0.04 0.04 0.09 0.66 -1.93 0.00 0.00 178.83 177.73 2be2 h SER 162 N 0.07 0.66 -0.21 -0.69 4.64 -1.17 0.23 113.55 117.08 2be2 h SER 162 Ca 0.20 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 2be2 h SER 162 Cb 0.29 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2be2 h SER 162 CO -0.36 0.67 -0.38 0.28 -0.87 0.00 0.00 176.83 176.18 2be2 h SER 163 N 0.69 0.79 -0.30 4.97 0.02 -0.34 -1.70 113.55 117.66 2be2 h SER 163 Ca 0.15 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 2be2 h SER 163 Cb 0.29 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2be2 h SER 163 CO 0.00 1.07 0.02 -0.03 -1.14 0.00 0.00 176.83 176.76 2be2 h MET 164 N 0.61 0.52 -0.25 3.45 -1.53 -0.23 -1.04 114.93 116.47 2be2 h MET 164 Ca 0.06 -0.16 0.05 0.00 -3.44 0.00 0.00 59.70 56.21 2be2 h MET 164 Cb 0.92 -0.05 -0.05 0.00 -0.55 0.00 0.00 31.60 31.86 2be2 h MET 164 CO 0.08 0.65 -0.08 1.15 0.14 0.00 0.00 176.91 178.86 2be2 h THR 165 N 0.33 0.72 -0.85 -0.77 2.02 -0.81 -0.91 112.91 112.63 2be2 h THR 165 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.27 2be2 h THR 165 Cb 0.40 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2be2 h THR 165 CO 0.01 0.00 0.55 0.11 0.37 0.00 0.00 175.52 176.56 2be2 h LYS 166 N -0.02 1.13 -0.29 6.66 1.57 -1.02 -0.78 116.57 123.82 2be2 h LYS 166 Ca 0.12 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2be2 h LYS 166 Cb 0.21 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2be2 h LYS 166 CO -0.27 0.76 -0.19 0.82 -0.57 0.00 0.00 179.45 180.00 2be2 h ILE 167 N 1.16 1.25 0.00 1.86 2.04 -0.44 -2.99 117.51 120.39 2be2 h ILE 167 Ca 0.31 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2be2 h ILE 167 Cb -0.11 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2be2 h ILE 167 CO -0.07 0.38 -0.44 -0.07 0.00 0.00 0.00 178.15 177.95 2be2 h LEU 168 N 0.48 0.00 -0.84 1.44 3.38 -0.66 -3.39 115.31 115.72 2be2 h LEU 168 Ca 0.08 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.24 2be2 h LEU 168 Cb 0.60 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.23 2be2 h LEU 168 CO 0.04 0.11 0.33 -0.08 0.09 0.00 0.00 178.44 178.93 2be2 h GLU 169 N 0.00 0.38 -0.22 1.13 4.81 -1.00 -0.54 114.58 119.14 2be2 h GLU 169 Ca -0.01 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.00 2be2 h GLU 169 Cb 1.10 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2be2 h GLU 169 CO 0.01 0.25 -0.62 -1.00 -0.73 0.00 0.00 179.01 176.92 2be2 h PRO 170 N 0.39 0.77 -0.23 0.92 0.13 -1.76 -3.11 132.00 129.10 2be2 h PRO 170 Ca 0.50 -0.53 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 2be2 h PRO 170 Cb 0.89 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2be2 h PRO 170 CO -0.50 1.15 -0.02 0.35 -0.23 0.00 0.00 178.00 178.76 2be2 h PHE 171 N 0.57 0.47 0.00 1.56 3.57 -1.64 -2.83 116.94 118.64 2be2 h PHE 171 Ca -0.01 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2be2 h PHE 171 Cb 1.22 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2be2 h PHE 171 CO 0.07 0.62 0.00 0.87 -2.23 0.00 0.00 178.31 177.64 2be2 h LYS 172 N 0.19 0.00 0.00 1.11 1.57 -1.18 -1.85 116.57 116.41 2be2 h LYS 172 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2be2 h LYS 172 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2be2 h LYS 172 CO 0.02 0.00 -0.95 0.87 -0.57 0.00 0.00 179.45 178.82 2be2 h LYS 173 N 0.00 0.00 -0.44 3.15 1.57 -1.43 -3.18 116.57 116.23 2be2 h LYS 173 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2be2 h LYS 173 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2be2 h LYS 173 CO 0.00 0.04 0.00 1.04 -0.57 0.00 0.00 179.45 179.96 2be2 n GLN 174 N -2.75 2.31 -2.83 3.15 6.02 -0.73 -4.32 117.38 118.25 2be2 n GLN 174 Ca -0.01 -2.01 -0.11 0.00 -0.01 0.00 0.00 57.00 54.86 2be2 n GLN 174 Cb 0.58 -1.47 0.06 0.00 1.02 0.00 0.00 30.24 30.43 2be2 n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2be2 n ASN 175 N 1.18 -0.92 0.24 1.08 3.02 -1.02 -4.96 115.26 113.87 2be2 n ASN 175 Ca 0.19 -3.12 0.08 0.00 -0.03 0.00 0.00 54.58 51.70 2be2 n ASN 175 Cb 0.51 0.75 0.41 0.00 -0.61 0.00 0.00 39.78 40.84 2be2 n ASN 175 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2be2 h PRO 176 N 2.78 0.00 -0.00 3.52 0.11 -1.74 -0.85 132.00 135.82 2be2 h PRO 176 Ca -0.09 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 2be2 h PRO 176 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.24 2be2 h PRO 176 CO 0.23 0.00 -0.25 0.38 -0.21 0.00 0.00 178.00 178.15 2be2 h ASP 177 N 0.00 0.23 -3.37 -2.05 3.04 -1.93 -3.45 116.42 108.88 2be2 h ASP 177 Ca 0.00 -0.77 -0.52 0.00 -3.24 0.00 0.00 57.03 52.50 2be2 h ASP 177 Cb 0.90 -0.07 0.04 0.00 -1.04 0.00 0.00 39.33 39.16 2be2 h ASP 177 CO 0.00 0.97 0.68 -0.63 -2.04 0.00 0.00 179.24 178.22 2be2 s ILE 178 N -3.15 3.06 -0.13 4.15 -1.09 -0.33 -4.84 121.20 118.87 2be2 s ILE 178 Ca -0.16 0.87 -0.03 0.00 -2.23 0.00 0.00 60.65 59.10 2be2 s ILE 178 Cb 0.01 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2be2 s ILE 178 CO 0.74 0.13 -0.01 0.68 -1.23 0.00 0.00 174.94 175.26 2be2 s VAL 179 N 0.10 4.21 -0.09 2.92 -7.23 -0.96 -5.00 120.40 114.35 2be2 s VAL 179 Ca 0.58 -0.26 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 2be2 s VAL 179 Cb -0.38 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.76 2be2 s VAL 179 CO 0.39 0.54 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.99 2be2 s ILE 180 N -0.20 1.07 -0.18 -0.62 1.01 -1.26 -1.99 121.20 119.03 2be2 s ILE 180 Ca 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.25 2be2 s ILE 180 Cb -0.13 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 2be2 s ILE 180 CO 0.02 0.36 0.06 -0.31 0.00 0.00 0.00 174.94 175.07 2be2 s TYR 181 N 1.18 3.26 -0.14 3.97 1.51 -0.83 -4.96 117.35 121.34 2be2 s TYR 181 Ca -0.05 0.09 -0.06 0.00 -1.01 0.00 0.00 57.07 56.04 2be2 s TYR 181 Cb -0.14 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 2be2 s TYR 181 CO -0.02 0.18 0.05 -0.65 -1.11 0.00 0.00 175.55 174.00 2be2 s GLN 182 N 0.29 3.59 -0.27 -0.62 -0.21 -1.26 -1.29 119.66 119.88 2be2 s GLN 182 Ca 0.04 -0.34 -0.01 0.00 0.02 0.00 0.00 55.36 55.07 2be2 s GLN 182 Cb -0.12 -3.07 0.16 0.00 1.00 0.00 0.00 33.01 30.97 2be2 s GLN 182 CO 0.00 0.48 0.45 -0.47 -2.12 0.00 0.00 175.29 173.64 2be2 s TYR 183 N -0.23 -1.12 0.00 0.91 5.04 -0.89 -5.03 117.35 116.03 2be2 s TYR 183 Ca 0.07 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 2be2 s TYR 183 Cb -0.12 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.33 2be2 s TYR 183 CO 0.02 -0.83 0.00 -1.33 -1.34 0.00 0.00 175.55 172.06 2be2 n MET 184 N 5.38 0.00 -0.47 4.97 2.81 -1.26 -0.73 117.12 127.82 2be2 n MET 184 Ca -0.02 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.98 2be2 n MET 184 Cb 0.50 0.00 0.33 0.00 -0.71 0.00 0.00 33.22 33.35 2be2 n MET 184 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2be2 n ASP 185 N 7.24 4.28 -4.87 7.83 5.68 -1.26 -4.94 116.55 130.51 2be2 n ASP 185 Ca 0.00 -2.21 -0.26 0.00 -0.50 0.00 0.00 54.79 51.83 2be2 n ASP 185 Cb 0.00 -0.52 -0.04 0.00 -1.14 0.00 0.00 41.12 39.42 2be2 n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2be2 s ASP 186 N -0.97 5.88 -0.05 -1.12 1.01 0.09 -0.58 116.67 120.94 2be2 s ASP 186 Ca 0.49 -0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.73 2be2 s ASP 186 Cb 0.28 -1.65 0.03 0.00 1.01 0.00 0.00 42.92 42.60 2be2 s ASP 186 CO 0.29 0.05 0.04 -0.76 0.21 0.00 0.00 175.17 175.00 2be2 s LEU 187 N -3.24 0.35 -0.40 1.23 1.43 -0.07 -2.09 118.68 115.90 2be2 s LEU 187 Ca 0.33 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 2be2 s LEU 187 Cb -0.10 -0.21 0.05 0.00 0.03 0.00 0.00 46.19 45.96 2be2 s LEU 187 CO 0.26 -0.22 0.24 -0.31 0.23 0.00 0.00 176.35 176.54 2be2 s TYR 188 N 2.01 3.28 -0.23 0.29 4.12 -0.41 -0.39 117.35 126.01 2be2 s TYR 188 Ca 0.04 -1.18 -0.09 0.00 0.02 0.00 0.00 57.07 55.85 2be2 s TYR 188 Cb -0.12 -2.68 -0.04 0.00 -1.52 0.00 0.00 41.96 37.59 2be2 s TYR 188 CO -0.03 -0.74 0.12 0.08 0.02 0.00 0.00 175.55 175.00 2be2 s VAL 189 N 1.51 4.98 0.13 0.71 1.01 0.65 -1.97 120.40 127.43 2be2 s VAL 189 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2be2 s VAL 189 Cb -0.21 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2be2 s VAL 189 CO 0.05 0.36 -0.12 -0.83 0.00 0.00 0.00 175.10 174.55 2be2 s GLY 190 N 1.13 1.07 -0.00 4.51 0.00 -0.84 0.62 107.32 113.80 2be2 s GLY 190 Ca 0.06 -1.38 -0.29 0.00 0.00 0.00 0.00 44.72 43.12 2be2 s GLY 190 CO 0.04 -1.45 0.87 -1.35 0.00 0.00 0.00 173.10 171.21 2be2 s SER 191 N -2.77 -0.38 -0.92 1.64 1.04 -0.58 -2.28 113.70 109.46 2be2 s SER 191 Ca 0.12 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2be2 s SER 191 Cb -0.02 0.39 0.32 0.00 0.10 0.00 0.00 66.02 66.82 2be2 s SER 191 CO 0.02 -0.63 1.54 0.47 0.98 0.00 0.00 173.24 175.63 2be2 n ASP 192 N -0.19 6.45 -4.45 7.02 8.00 -1.26 -2.20 116.55 129.92 2be2 n ASP 192 Ca -0.09 -3.65 -0.22 0.00 0.71 0.00 0.00 54.79 51.54 2be2 n ASP 192 Cb 0.62 -1.02 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 2be2 n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2be2 s LEU 193 N -3.88 2.54 0.11 0.64 1.43 -1.26 -4.98 118.68 113.27 2be2 s LEU 193 Ca 0.40 -1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 52.01 2be2 s LEU 193 Cb 0.19 -0.73 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 2be2 s LEU 193 CO -0.10 -0.30 1.43 -1.61 0.23 0.00 0.00 176.35 176.00 2be2 s GLU 194 N -3.70 4.29 0.39 1.70 8.01 -1.26 -4.66 118.70 123.48 2be2 s GLU 194 Ca 0.30 2.12 0.35 0.00 0.01 0.00 0.00 54.97 57.76 2be2 s GLU 194 Cb 0.03 -3.28 1.24 0.00 -4.31 0.00 0.00 34.13 27.81 2be2 s GLU 194 CO 0.13 -0.49 1.13 -0.89 0.01 0.00 0.00 175.26 175.14 2be2 n ILE 195 N 4.07 -0.02 0.10 -1.63 -0.00 -1.26 0.21 119.36 120.83 2be2 n ILE 195 Ca 0.12 1.10 -0.21 0.00 -0.00 0.00 0.00 62.75 63.76 2be2 n ILE 195 Cb 0.42 -1.83 -0.15 0.00 -0.00 0.00 0.00 39.64 38.08 2be2 n ILE 195 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2be2 h GLY 196 N 0.00 0.45 1.49 7.39 0.00 -1.99 -2.66 103.07 107.76 2be2 h GLY 196 Ca 0.68 -1.16 -0.19 0.00 0.00 0.00 0.00 47.33 46.66 2be2 h GLY 196 CO -0.04 1.02 -0.74 -1.61 0.00 0.00 0.00 176.54 175.17 2be2 h GLN 197 N 0.11 0.50 0.77 4.80 4.15 0.22 -2.65 115.11 123.00 2be2 h GLN 197 Ca -0.27 -0.40 -0.04 0.00 0.77 0.00 0.00 58.65 58.71 2be2 h GLN 197 Cb 2.09 0.08 0.01 0.00 0.21 0.00 0.00 27.48 29.87 2be2 h GLN 197 CO 0.21 1.03 -0.37 1.25 -1.93 0.00 0.00 178.83 179.02 2be2 h HIS 198 N 0.34 -0.96 -0.70 3.99 2.76 -0.80 -1.77 115.15 118.00 2be2 h HIS 198 Ca -0.04 -0.02 0.20 0.00 -2.20 0.00 0.00 60.37 58.32 2be2 h HIS 198 Cb 1.33 0.32 -0.03 0.00 1.55 0.00 0.00 27.41 30.58 2be2 h HIS 198 CO 0.05 -0.60 0.79 0.00 -1.30 0.00 0.00 177.93 176.87 2be2 h ARG 199 N -1.11 0.00 0.23 5.26 3.08 -1.52 0.10 114.38 120.43 2be2 h ARG 199 Ca -0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2be2 h ARG 199 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2be2 h ARG 199 CO 0.17 0.00 -0.11 1.15 -1.07 0.00 0.00 179.97 180.11 2be2 h THR 200 N 0.00 0.00 -0.86 2.04 2.02 -0.98 -2.95 112.91 112.17 2be2 h THR 200 Ca 0.33 -0.15 0.21 0.00 0.77 0.00 0.00 66.41 67.58 2be2 h THR 200 Cb 1.91 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.20 2be2 h THR 200 CO -0.00 0.00 0.34 0.11 0.37 0.00 0.00 175.52 176.34 2be2 h LYS 201 N -0.46 0.36 -0.37 6.66 1.79 -0.04 -0.79 116.57 123.72 2be2 h LYS 201 Ca -0.03 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.49 2be2 h LYS 201 Cb 0.24 -0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 2be2 h LYS 201 CO 0.05 0.24 -0.11 0.82 -1.08 0.00 0.00 179.45 179.37 2be2 h ILE 202 N 0.37 0.59 -0.53 1.86 1.08 -1.23 0.19 117.51 119.84 2be2 h ILE 202 Ca 0.53 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 65.02 2be2 h ILE 202 Cb 0.98 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 2be2 h ILE 202 CO -0.53 0.00 0.35 -0.08 -0.69 0.00 0.00 178.15 177.21 2be2 h GLU 203 N -0.02 0.66 0.83 2.37 4.57 -0.98 0.40 114.58 122.40 2be2 h GLU 203 Ca 0.18 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 2be2 h GLU 203 Cb 0.30 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2be2 h GLU 203 CO -0.40 0.43 -0.40 0.93 -1.18 0.00 0.00 179.01 178.40 2be2 h GLU 204 N 0.68 -1.08 -0.87 1.92 5.08 -0.07 -1.27 114.58 118.97 2be2 h GLU 204 Ca 0.20 0.07 0.22 0.00 -1.00 0.00 0.00 59.36 58.86 2be2 h GLU 204 Cb -0.00 0.24 -0.15 0.00 0.50 0.00 0.00 28.75 29.34 2be2 h GLU 204 CO -0.05 -0.72 0.11 1.25 -1.00 0.00 0.00 179.01 178.60 2be2 h LEU 205 N -1.17 -0.23 -0.17 1.33 5.85 -0.29 0.98 115.31 121.61 2be2 h LEU 205 Ca -0.11 0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2be2 h LEU 205 Cb 0.86 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2be2 h LEU 205 CO 0.19 -0.22 -0.04 0.03 -0.34 0.00 0.00 178.44 178.06 2be2 h ARG 206 N 0.12 -0.00 -0.48 1.25 3.08 -0.65 0.18 114.38 117.88 2be2 h ARG 206 Ca 0.52 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.53 2be2 h ARG 206 Cb 1.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2be2 h ARG 206 CO -0.73 -0.00 0.14 1.96 -1.07 0.00 0.00 179.97 180.27 2be2 h GLN 207 N -0.00 0.71 0.25 0.04 1.08 0.33 0.27 115.11 117.79 2be2 h GLN 207 Ca 0.08 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2be2 h GLN 207 Cb 0.13 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2be2 h GLN 207 CO -0.17 0.63 -0.12 1.25 -0.95 0.00 0.00 178.83 179.47 2be2 h HIS 208 N 0.70 -0.32 -0.63 2.96 2.76 -0.10 -0.26 115.15 120.27 2be2 h HIS 208 Ca 0.16 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 2be2 h HIS 208 Cb 0.23 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 2be2 h HIS 208 CO 0.01 -0.10 0.35 -0.07 -1.30 0.00 0.00 177.93 176.82 2be2 h LEU 209 N -0.48 0.52 -1.06 0.26 3.38 -0.14 -2.19 115.31 115.59 2be2 h LEU 209 Ca -0.03 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2be2 h LEU 209 Cb 0.36 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2be2 h LEU 209 CO 0.06 0.34 0.63 0.25 0.09 0.00 0.00 178.44 179.81 2be2 h LEU 210 N 0.65 1.07 0.00 1.67 5.85 0.08 0.71 115.31 125.35 2be2 h LEU 210 Ca 0.28 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2be2 h LEU 210 Cb 0.16 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2be2 h LEU 210 CO -0.17 0.76 0.00 0.54 -0.34 0.00 0.00 178.44 179.23 2be2 n ARG 211 N -4.41 0.45 -0.13 1.25 1.74 -0.13 -1.57 116.66 113.86 2be2 n ARG 211 Ca 0.12 0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.33 2be2 n ARG 211 Cb 0.06 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.14 2be2 n ARG 211 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2be2 n TRP 212 N -1.09 0.00 -1.06 -1.55 7.02 0.03 -4.92 117.44 115.88 2be2 n TRP 212 Ca 0.11 -1.02 -0.02 0.00 -1.02 0.00 0.00 57.50 55.55 2be2 n TRP 212 Cb 0.08 -0.16 -0.01 0.00 -2.42 0.00 0.00 31.31 28.81 2be2 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2be2 n GLY 213 N -1.37 0.55 3.35 6.99 0.00 -0.61 -4.25 105.19 109.85 2be2 n GLY 213 Ca 0.16 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2be2 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2be2 s LEU 214 N -0.47 3.75 -0.14 0.99 1.43 0.01 -2.89 118.68 121.37 2be2 s LEU 214 Ca 0.00 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 2be2 s LEU 214 Cb 0.00 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2be2 s LEU 214 CO 0.00 -0.17 0.45 0.42 0.23 0.00 0.00 176.35 177.28 2be2 s THR 215 N 1.50 5.20 0.39 5.49 -4.23 -1.26 -2.10 115.64 120.62 2be2 s THR 215 Ca 0.03 0.88 0.08 0.00 -1.18 0.00 0.00 61.69 61.50 2be2 s THR 215 Cb -0.17 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 2be2 s THR 215 CO 0.02 0.31 0.17 0.42 -0.54 0.00 0.00 174.62 175.00 2be2 s THR 216 N 0.75 2.53 0.26 3.99 -4.23 -1.26 -1.10 115.64 116.57 2be2 s THR 216 Ca 0.24 -1.70 -0.31 0.00 -1.18 0.00 0.00 61.69 58.74 2be2 s THR 216 Cb -0.15 -2.97 -0.13 0.00 1.34 0.00 0.00 72.50 70.59 2be2 s THR 216 CO 0.09 -0.06 1.52 -2.65 -0.54 0.00 0.00 174.62 172.97 2be2 n PRO 217 N -1.21 2.37 -0.05 3.99 -0.02 -1.25 -4.98 135.00 133.85 2be2 n PRO 217 Ca -0.02 0.84 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 2be2 n PRO 217 Cb 0.63 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 2be2 n PRO 217 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2be2 h ASP 218 N 4.71 0.04 0.00 2.55 1.82 -1.97 -1.78 116.42 121.78 2be2 h ASP 218 Ca -0.46 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 2be2 h ASP 218 Cb 1.25 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.29 2be2 h ASP 218 CO 0.79 0.05 0.00 0.29 -1.61 0.00 0.00 179.24 178.76 2be2 n LYS 219 N -5.07 0.85 -0.32 0.28 5.02 -1.26 -4.68 118.16 112.98 2be2 n LYS 219 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2be2 n LYS 219 Cb 0.09 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2be2 n LYS 219 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2be2 n LYS 220 N -0.27 0.00 -3.61 1.97 4.76 -0.67 -4.88 118.16 115.47 2be2 n LYS 220 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 2be2 n LYS 220 Cb 0.09 -1.78 -0.06 0.00 -1.84 0.00 0.00 35.03 31.44 2be2 n LYS 220 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 2be2 s HIS 221 N -3.29 -0.09 -0.61 2.13 -3.43 -1.22 -4.76 115.29 104.01 2be2 s HIS 221 Ca 0.00 0.19 0.02 0.00 -0.80 0.00 0.00 55.06 54.46 2be2 s HIS 221 Cb 0.00 0.06 0.40 0.00 -1.43 0.00 0.00 32.58 31.60 2be2 s HIS 221 CO 0.00 -0.05 1.55 1.04 -2.00 0.00 0.00 174.74 175.28 2be2 n GLN 222 N 3.24 3.12 -3.65 -0.38 1.13 -1.26 -4.91 117.38 114.68 2be2 n GLN 222 Ca -0.16 -4.00 -0.40 0.00 -1.94 0.00 0.00 57.00 50.50 2be2 n GLN 222 Cb 0.56 -2.26 -0.12 0.00 0.11 0.00 0.00 30.24 28.53 2be2 n GLN 222 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2be2 s LYS 223 N -3.78 2.82 -0.27 -1.09 0.00 -1.26 -5.03 119.74 111.13 2be2 s LYS 223 Ca 0.51 -1.07 -0.00 0.00 0.00 0.00 0.00 55.97 55.40 2be2 s LYS 223 Cb 0.42 -3.64 0.08 0.00 0.00 0.00 0.00 37.83 34.70 2be2 s LYS 223 CO -0.25 -0.66 0.04 -1.21 0.00 0.00 0.00 175.35 173.27 2be2 s GLU 224 N 1.52 0.98 0.35 1.78 8.01 -1.26 -4.98 118.70 125.09 2be2 s GLU 224 Ca 0.01 -0.97 -0.29 0.00 0.01 0.00 0.00 54.97 53.73 2be2 s GLU 224 Cb -0.19 -2.26 -0.11 0.00 -4.31 0.00 0.00 34.13 27.26 2be2 s GLU 224 CO 0.05 -0.81 1.43 -2.14 0.01 0.00 0.00 175.26 173.81 2be2 s PRO 225 N 1.56 4.20 0.40 0.39 0.02 -1.26 -4.20 135.00 136.11 2be2 s PRO 225 Ca 0.04 2.44 -0.23 0.00 0.02 0.00 0.00 61.00 63.27 2be2 s PRO 225 Cb -0.18 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.23 2be2 s PRO 225 CO -0.15 -0.42 1.01 -1.25 -0.33 0.00 0.00 177.00 175.85 2be2 s PRO 226 N -1.77 4.20 -0.05 5.54 0.04 -1.26 -5.09 135.00 136.61 2be2 s PRO 226 Ca 0.53 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 2be2 s PRO 226 Cb -0.44 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 2be2 s PRO 226 CO 0.57 -0.09 0.54 -0.06 0.04 0.00 0.00 177.00 178.00 2be2 s PHE 227 N -1.80 3.62 -0.33 0.56 0.08 -0.74 -4.86 117.98 114.51 2be2 s PHE 227 Ca 0.59 1.06 -0.19 0.00 0.12 0.00 0.00 56.93 58.51 2be2 s PHE 227 Cb -0.18 -2.57 -0.01 0.00 -0.57 0.00 0.00 43.02 39.69 2be2 s PHE 227 CO 0.23 0.29 0.56 -0.51 -0.10 0.00 0.00 175.22 175.69 2be2 s LEU 228 N 0.10 4.24 -0.16 -0.37 1.43 -1.26 -1.42 118.68 121.25 2be2 s LEU 228 Ca 0.29 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 2be2 s LEU 228 Cb -0.17 -2.68 0.06 0.00 0.03 0.00 0.00 46.19 43.43 2be2 s LEU 228 CO 0.14 -0.47 0.08 0.86 0.23 0.00 0.00 176.35 177.19 2be2 s TRP 229 N 2.48 0.26 -1.49 0.29 -0.00 0.11 -4.93 118.94 115.66 2be2 s TRP 229 Ca 0.21 -0.30 -0.12 0.00 -0.00 0.00 0.00 56.10 55.89 2be2 s TRP 229 Cb -0.15 -0.70 0.07 0.00 -0.00 0.00 0.00 33.47 32.69 2be2 s TRP 229 CO 0.13 -0.48 1.01 -1.33 -0.00 0.00 0.00 176.95 176.27 2be2 n MET 230 N 5.26 -5.95 -0.63 5.86 2.81 -1.26 -0.96 117.12 122.26 2be2 n MET 230 Ca -0.07 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 2be2 n MET 230 Cb 0.49 -5.55 0.00 0.00 -0.71 0.00 0.00 33.22 27.45 2be2 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2be2 n GLY 231 N -1.74 0.66 3.37 3.03 0.00 -1.26 -5.04 105.19 104.21 2be2 n GLY 231 Ca 0.02 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 2be2 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2be2 s TYR 232 N -2.00 1.77 -0.16 1.61 1.51 -0.13 -2.25 117.35 117.70 2be2 s TYR 232 Ca 0.00 -0.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 2be2 s TYR 232 Cb 0.00 -0.90 0.05 0.00 -0.11 0.00 0.00 41.96 40.99 2be2 s TYR 232 CO 0.00 0.30 -0.00 -2.00 -1.11 0.00 0.00 175.55 172.74 2be2 s GLU 233 N -3.69 0.92 -0.19 -0.62 2.12 -0.43 0.06 118.70 116.87 2be2 s GLU 233 Ca 0.25 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 55.19 2be2 s GLU 233 Cb 0.01 -1.83 -0.02 0.00 0.26 0.00 0.00 34.13 32.55 2be2 s GLU 233 CO 0.08 -0.50 -0.03 -0.51 -0.54 0.00 0.00 175.26 173.77 2be2 s LEU 234 N 1.80 3.13 0.40 2.70 1.43 -0.50 -1.43 118.68 126.21 2be2 s LEU 234 Ca 0.01 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 2be2 s LEU 234 Cb -0.15 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2be2 s LEU 234 CO -0.07 0.08 0.28 -1.00 0.23 0.00 0.00 176.35 175.87 2be2 s HIS 235 N 0.91 2.69 0.45 0.29 3.76 0.35 -1.79 115.29 121.95 2be2 s HIS 235 Ca 0.00 -0.50 0.39 0.00 -0.15 0.00 0.00 55.06 54.81 2be2 s HIS 235 Cb -0.14 -2.03 2.12 0.00 1.11 0.00 0.00 32.58 33.64 2be2 s HIS 235 CO 0.01 0.04 2.21 -1.35 -0.85 0.00 0.00 174.74 174.80 2be2 h PRO 236 N 1.22 0.00 0.00 8.40 0.11 -1.98 -3.22 132.00 136.53 2be2 h PRO 236 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2be2 h PRO 236 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2be2 h PRO 236 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 2be2 n ASP 237 N -2.90 0.14 -3.89 -2.05 5.68 -1.26 -4.62 116.55 107.64 2be2 n ASP 237 Ca -0.02 -1.03 -0.08 0.00 -0.50 0.00 0.00 54.79 53.15 2be2 n ASP 237 Cb 0.07 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.02 2be2 n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2be2 s LYS 238 N -0.03 1.59 0.05 0.11 -2.85 -1.22 -4.40 119.74 113.00 2be2 s LYS 238 Ca 0.00 -1.08 -0.09 0.00 -1.00 0.00 0.00 55.97 53.80 2be2 s LYS 238 Cb 0.00 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 2be2 s LYS 238 CO 0.00 -0.69 0.20 1.67 0.10 0.00 0.00 175.35 176.63 2be2 s TRP 239 N -3.95 0.07 0.37 1.78 1.48 0.65 -0.49 118.94 118.85 2be2 s TRP 239 Ca 0.16 -0.34 -0.07 0.00 -1.06 0.00 0.00 56.10 54.79 2be2 s TRP 239 Cb -0.03 -0.03 0.03 0.00 -1.16 0.00 0.00 33.47 32.28 2be2 s TRP 239 CO 0.06 -0.46 0.61 0.99 -4.06 0.00 0.00 176.95 174.09 2be2 s THR 240 N -2.87 0.00 0.17 0.66 2.01 -0.51 0.76 115.64 115.85 2be2 s THR 240 Ca -0.03 -1.37 -0.09 0.00 0.31 0.00 0.00 61.69 60.52 2be2 s THR 240 Cb 0.00 -2.79 -0.06 0.00 0.01 0.00 0.00 72.50 69.66 2be2 s THR 240 CO -0.06 0.00 0.48 -0.69 -0.69 0.00 0.00 174.62 173.66 2be2 s VAL 241 N -2.63 5.01 0.66 3.82 1.01 -1.26 -1.31 120.40 125.69 2be2 s VAL 241 Ca 0.25 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 2be2 s VAL 241 Cb -0.02 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 2be2 s VAL 241 CO 0.18 0.06 1.19 -1.10 0.00 0.00 0.00 175.10 175.42 2be2 s GLN 242 N -2.51 2.63 -0.45 2.72 -0.21 -0.95 -4.73 119.66 116.16 2be2 s GLN 242 Ca 0.42 1.71 -0.30 0.00 0.02 0.00 0.00 55.36 57.21 2be2 s GLN 242 Cb -0.12 -1.90 -0.14 0.00 1.00 0.00 0.00 33.01 31.84 2be2 s GLN 242 CO 0.21 -1.44 1.67 -2.30 -2.12 0.00 0.00 175.29 171.31 2be2 n PRO 243 N -2.17 0.00 -2.86 2.91 -0.02 -1.26 -4.90 135.00 126.70 2be2 n PRO 243 Ca 0.13 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 2be2 n PRO 243 Cb 0.50 -1.11 -0.05 0.00 -0.02 0.00 0.00 33.50 32.83 2be2 n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2be2 s ILE 244 N 4.91 4.68 -0.22 4.25 -1.09 -1.26 -5.04 121.20 127.43 2be2 s ILE 244 Ca 0.91 1.83 -0.03 0.00 -2.23 0.00 0.00 60.65 61.13 2be2 s ILE 244 Cb -1.07 -4.21 0.07 0.00 -1.58 0.00 0.00 42.46 35.68 2be2 s ILE 244 CO 0.46 0.32 0.06 -0.69 -1.23 0.00 0.00 174.94 173.86 2be2 s VAL 245 N 0.13 0.46 -0.23 2.92 1.01 -1.26 -5.12 120.40 118.31 2be2 s VAL 245 Ca 0.43 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 2be2 s VAL 245 Cb -0.21 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2be2 s VAL 245 CO 0.26 -0.34 0.64 -0.76 0.00 0.00 0.00 175.10 174.90 2be2 s LEU 246 N 1.87 4.09 0.33 3.92 1.43 -1.26 -5.06 118.68 124.00 2be2 s LEU 246 Ca 0.02 0.77 -0.26 0.00 -1.03 0.00 0.00 54.13 53.63 2be2 s LEU 246 Cb -0.17 -2.88 -0.09 0.00 0.03 0.00 0.00 46.19 43.07 2be2 s LEU 246 CO -0.13 -0.34 0.99 -2.16 0.23 0.00 0.00 176.35 174.94 2be2 s PRO 247 N 2.30 4.51 -0.26 1.29 0.04 -1.26 -5.04 135.00 136.58 2be2 s PRO 247 Ca 0.28 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 2be2 s PRO 247 Cb -0.16 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 2be2 s PRO 247 CO 0.09 0.18 0.13 -1.21 0.04 0.00 0.00 177.00 176.23 2be2 s GLU 248 N -1.99 3.83 0.19 4.56 2.02 -1.26 -5.09 118.70 120.96 2be2 s GLU 248 Ca 0.50 -0.39 0.04 0.00 0.02 0.00 0.00 54.97 55.15 2be2 s GLU 248 Cb -0.22 -3.49 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 2be2 s GLU 248 CO 0.28 -0.15 -0.07 0.15 0.02 0.00 0.00 175.26 175.50 2be2 s LYS 249 N 1.59 1.21 -0.24 1.61 1.02 -1.26 -5.06 119.74 118.60 2be2 s LYS 249 Ca 0.07 -1.56 -0.01 0.00 0.02 0.00 0.00 55.97 54.49 2be2 s LYS 249 Cb -0.15 -0.68 -0.18 0.00 -0.52 0.00 0.00 37.83 36.29 2be2 s LYS 249 CO 0.07 0.02 -0.13 -0.25 -0.92 0.00 0.00 175.35 174.14 2be2 n ASP 250 N -0.31 2.00 -4.07 2.83 8.00 -1.26 -4.86 116.55 118.89 2be2 n ASP 250 Ca -0.08 -0.04 -0.32 0.00 0.71 0.00 0.00 54.79 55.06 2be2 n ASP 250 Cb 0.62 -0.52 -0.16 0.00 -0.02 0.00 0.00 41.12 41.04 2be2 n ASP 250 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2be2 s SER 251 N -6.69 3.41 -0.15 -2.24 1.04 -1.26 -4.96 113.70 102.85 2be2 s SER 251 Ca -0.33 -0.84 -0.07 0.00 0.48 0.00 0.00 55.95 55.19 2be2 s SER 251 Cb 0.09 -1.40 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 2be2 s SER 251 CO 0.62 -0.08 0.11 0.26 0.98 0.00 0.00 173.24 175.13 2be2 s TRP 252 N 1.30 3.43 0.37 5.02 0.52 -1.25 -4.97 118.94 123.35 2be2 s TRP 252 Ca 0.01 0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.52 2be2 s TRP 252 Cb -0.15 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 2be2 s TRP 252 CO -0.10 0.47 0.52 -0.08 0.02 0.00 0.00 176.95 177.78 2be2 s THR 253 N -0.34 4.01 0.27 2.01 -1.32 -1.26 0.20 115.64 119.20 2be2 s THR 253 Ca 0.10 -0.88 -0.00 0.00 -1.21 0.00 0.00 61.69 59.70 2be2 s THR 253 Cb -0.12 -3.41 0.26 0.00 -1.51 0.00 0.00 72.50 67.73 2be2 s THR 253 CO 0.01 -0.19 1.81 0.58 -2.21 0.00 0.00 174.62 174.62 2be2 h VAL 254 N 0.76 0.85 -0.19 5.08 2.07 -1.61 -0.04 116.25 123.17 2be2 h VAL 254 Ca -0.46 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2be2 h VAL 254 Cb 1.26 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2be2 h VAL 254 CO 0.53 0.15 0.06 -1.13 0.02 0.00 0.00 177.57 177.21 2be2 h ASN 255 N 0.84 0.29 -0.88 0.57 -0.73 -1.44 -1.77 115.58 112.46 2be2 h ASN 255 Ca 0.48 -0.21 0.12 0.00 1.87 0.00 0.00 56.30 58.56 2be2 h ASN 255 Cb 0.54 -0.07 -0.09 0.00 0.27 0.00 0.00 38.32 38.97 2be2 h ASN 255 CO -0.29 0.42 0.51 0.44 -0.37 0.00 0.00 177.43 178.13 2be2 h ASP 256 N 0.13 0.69 0.42 1.15 3.32 -1.32 -2.48 116.42 118.34 2be2 h ASP 256 Ca 0.06 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2be2 h ASP 256 Cb 0.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2be2 h ASP 256 CO -0.00 0.34 -0.20 0.40 -1.72 0.00 0.00 179.24 178.06 2be2 h ILE 257 N 0.78 0.39 -0.99 0.35 2.04 -0.94 -2.64 117.51 116.51 2be2 h ILE 257 Ca 0.45 -0.58 0.27 0.00 1.00 0.00 0.00 64.86 66.01 2be2 h ILE 257 Cb 0.53 0.59 -0.13 0.00 -0.74 0.00 0.00 36.82 37.06 2be2 h ILE 257 CO -0.30 0.07 0.55 1.56 0.00 0.00 0.00 178.15 180.04 2be2 h GLN 258 N -0.98 0.44 -0.32 2.37 4.20 -1.18 0.68 115.11 120.32 2be2 h GLN 258 Ca -0.06 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 2be2 h GLN 258 Cb 0.56 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2be2 h GLN 258 CO 0.10 0.29 -0.22 0.87 -0.67 0.00 0.00 178.83 179.20 2be2 h LYS 259 N 0.46 0.61 0.27 1.46 1.57 -1.47 -1.10 116.57 118.36 2be2 h LYS 259 Ca 0.67 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 2be2 h LYS 259 Cb 1.36 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2be2 h LYS 259 CO -0.53 0.79 -0.13 1.25 -0.57 0.00 0.00 179.45 180.25 2be2 h LEU 260 N 0.54 -0.30 -0.25 2.94 5.85 0.67 -2.22 115.31 122.54 2be2 h LEU 260 Ca 0.08 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2be2 h LEU 260 Cb 0.67 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2be2 h LEU 260 CO 0.05 -0.01 0.04 0.58 -0.34 0.00 0.00 178.44 178.76 2be2 h VAL 261 N -0.61 0.88 -0.51 1.05 2.07 -1.05 0.11 116.25 118.20 2be2 h VAL 261 Ca -0.04 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2be2 h VAL 261 Cb 0.44 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 2be2 h VAL 261 CO 0.06 0.02 0.04 1.23 0.02 0.00 0.00 177.57 178.95 2be2 h GLY 262 N 0.13 0.57 1.26 2.17 0.00 -1.19 0.31 103.07 106.33 2be2 h GLY 262 Ca 0.11 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 2be2 h GLY 262 CO -0.15 -0.12 0.01 0.50 0.00 0.00 0.00 176.54 176.78 2be2 h LYS 263 N 0.16 0.90 -0.26 4.80 1.57 -0.86 -2.33 116.57 120.55 2be2 h LYS 263 Ca 0.26 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2be2 h LYS 263 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2be2 h LYS 263 CO -0.39 0.89 0.11 -0.07 -0.57 0.00 0.00 179.45 179.42 2be2 h LEU 264 N 0.83 0.36 -1.69 2.94 3.38 0.67 -1.68 115.31 120.12 2be2 h LEU 264 Ca 0.16 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2be2 h LEU 264 Cb 0.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2be2 h LEU 264 CO 0.02 0.42 0.26 0.78 0.09 0.00 0.00 178.44 180.01 2be2 h ASN 265 N 0.28 0.35 0.70 -0.43 2.35 -0.28 -0.21 115.58 118.34 2be2 h ASN 265 Ca 0.09 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2be2 h ASN 265 Cb 0.16 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2be2 h ASN 265 CO -0.01 0.24 -0.48 -0.25 -1.65 0.00 0.00 177.43 175.28 2be2 h TRP 266 N 0.41 0.00 -0.01 1.19 2.91 -0.85 -2.70 115.95 116.89 2be2 h TRP 266 Ca 0.16 0.00 -0.19 0.00 1.13 0.00 0.00 58.89 59.99 2be2 h TRP 266 Cb 0.14 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 2be2 h TRP 266 CO -0.00 0.48 -0.84 0.00 -1.03 0.00 0.00 178.44 177.05 2be2 h ALA 267 N 1.52 0.55 -0.30 2.65 0.00 -0.18 -3.26 119.26 120.25 2be2 h ALA 267 Ca -0.00 -0.70 0.09 0.00 0.00 0.00 0.00 54.91 54.30 2be2 h ALA 267 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2be2 h ALA 267 CO 0.06 0.88 0.57 1.03 0.00 0.00 0.00 179.25 181.79 2be2 h SER 268 N 0.13 0.00 0.41 0.00 0.87 -0.93 -1.12 113.55 112.92 2be2 h SER 268 Ca -0.04 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2be2 h SER 268 Cb 1.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2be2 h SER 268 CO 0.13 0.00 -0.19 1.56 -0.53 0.00 0.00 176.83 177.80 2be2 h GLN 269 N 0.00 0.00 0.00 2.24 4.20 -1.67 -3.08 115.11 116.81 2be2 h GLN 269 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2be2 h GLN 269 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2be2 h GLN 269 CO -0.00 0.19 -0.05 1.51 -0.67 0.00 0.00 178.83 179.81 2be2 n ILE 270 N -3.78 0.00 -3.14 2.54 0.13 -0.89 0.10 119.36 114.33 2be2 n ILE 270 Ca -0.02 -0.01 -0.43 0.00 -1.10 0.00 0.00 62.75 61.19 2be2 n ILE 270 Cb 0.30 0.32 -0.07 0.00 -0.84 0.00 0.00 39.64 39.35 2be2 n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 2be2 s TYR 271 N -0.13 3.05 0.45 9.51 1.51 -0.47 -4.76 117.35 126.52 2be2 s TYR 271 Ca 0.00 -0.31 -0.24 0.00 -1.01 0.00 0.00 57.07 55.51 2be2 s TYR 271 Cb 0.00 -3.42 -0.08 0.00 -0.11 0.00 0.00 41.96 38.36 2be2 s TYR 271 CO 0.00 -0.95 1.32 -2.14 -1.11 0.00 0.00 175.55 172.67 2be2 s PRO 272 N 2.72 3.69 0.00 -1.71 0.02 -1.26 -3.64 135.00 134.82 2be2 s PRO 272 Ca 0.18 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2be2 s PRO 272 Cb -0.17 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.78 2be2 s PRO 272 CO 0.15 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2be2 n GLY 273 N 0.63 0.75 3.77 0.52 0.00 -1.26 -5.03 105.19 104.57 2be2 n GLY 273 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2be2 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2be2 s ILE 274 N -2.88 2.39 0.03 -0.61 -1.09 -1.24 -4.94 121.20 112.86 2be2 s ILE 274 Ca 0.00 0.37 0.05 0.00 -2.23 0.00 0.00 60.65 58.84 2be2 s ILE 274 Cb 0.00 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.62 2be2 s ILE 274 CO 0.00 0.08 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.10 2be2 s LYS 275 N -1.56 1.03 0.00 2.79 1.02 -1.26 -4.94 119.74 116.82 2be2 s LYS 275 Ca 0.53 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.78 2be2 s LYS 275 Cb -0.43 -1.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.86 2be2 s LYS 275 CO 0.55 0.26 0.88 1.33 -0.92 0.00 0.00 175.35 177.45 2be2 n VAL 276 N 1.97 0.00 0.30 3.17 0.24 -1.26 -4.90 118.33 117.85 2be2 n VAL 276 Ca -0.17 -0.07 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 2be2 n VAL 276 Cb 0.54 0.40 -0.08 0.00 -1.47 0.00 0.00 33.84 33.24 2be2 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2be2 h ARG 277 N 0.07 -0.75 -0.64 7.34 2.43 -1.96 -2.30 114.38 118.57 2be2 h ARG 277 Ca -0.03 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2be2 h ARG 277 Cb 1.33 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 2be2 h ARG 277 CO -0.00 -0.44 0.17 1.96 -1.51 0.00 0.00 179.97 180.15 2be2 h GLN 278 N -1.04 1.01 -0.33 0.20 1.08 -1.93 0.35 115.11 114.45 2be2 h GLN 278 Ca -0.08 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 56.83 2be2 h GLN 278 Cb 0.66 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 2be2 h GLN 278 CO 0.13 0.90 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.81 2be2 h LEU 279 N 0.93 0.50 0.03 1.46 3.38 -1.85 -2.47 115.31 117.28 2be2 h LEU 279 Ca 0.20 -0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 2be2 h LEU 279 Cb 0.33 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.96 2be2 h LEU 279 CO -0.00 0.59 -1.16 0.28 0.09 0.00 0.00 178.44 178.24 2be2 h SER 280 N 0.50 0.58 -0.83 -0.43 0.02 -1.02 -3.23 113.55 109.15 2be2 h SER 280 Ca 0.10 -0.55 0.13 0.00 -0.84 0.00 0.00 61.79 60.64 2be2 h SER 280 Cb 0.38 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 2be2 h SER 280 CO 0.02 1.39 0.54 0.50 -1.14 0.00 0.00 176.83 178.14 2be2 h LYS 281 N 0.17 0.61 -0.88 3.45 3.64 -0.03 0.26 116.57 123.79 2be2 h LYS 281 Ca -0.14 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 2be2 h LYS 281 Cb 1.84 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.48 2be2 h LYS 281 CO 0.20 0.40 0.09 -0.11 -2.27 0.00 0.00 179.45 177.77 2be2 n LEU 282 N -4.53 3.48 0.00 5.20 7.94 -0.96 -4.73 117.00 123.41 2be2 n LEU 282 Ca 0.16 -1.78 0.00 0.00 -1.11 0.00 0.00 56.01 53.27 2be2 n LEU 282 Cb 0.45 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.80 2be2 n LEU 282 CO 0.31 0.51 0.00 -0.11 -1.11 0.00 0.00 177.39 176.99 2be2 n LEU 283 N 0.12 0.00 -4.55 -1.96 7.94 0.91 -4.90 117.00 114.55 2be2 n LEU 283 Ca 0.16 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.65 2be2 n LEU 283 Cb 0.76 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.66 2be2 n LEU 283 CO 0.17 0.00 1.94 -1.14 -1.11 0.00 0.00 177.39 177.26 2be2 n ARG 284 N 0.00 1.33 0.03 1.96 0.63 -1.26 -4.30 116.66 115.05 2be2 n ARG 284 Ca 0.00 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 2be2 n ARG 284 Cb 0.00 -3.12 0.00 0.00 0.45 0.00 0.00 32.46 29.79 2be2 n ARG 284 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2be2 n GLY 285 N 6.03 -0.02 3.21 5.14 0.00 -1.26 -5.04 105.19 113.25 2be2 n GLY 285 Ca 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 2be2 n GLY 285 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2be2 s THR 286 N -1.36 0.43 -0.80 2.61 2.01 -1.26 -5.09 115.64 112.19 2be2 s THR 286 Ca 0.00 -1.95 -0.01 0.00 0.31 0.00 0.00 61.69 60.03 2be2 s THR 286 Cb 0.00 -2.13 0.36 0.00 0.01 0.00 0.00 72.50 70.74 2be2 s THR 286 CO 0.00 -0.43 1.93 0.29 -0.69 0.00 0.00 174.62 175.72 2be2 n LYS 287 N -0.20 2.82 -2.43 4.92 5.02 -1.26 -4.92 118.16 122.12 2be2 n LYS 287 Ca -0.06 -3.62 -0.43 0.00 -2.02 0.00 0.00 58.31 52.19 2be2 n LYS 287 Cb 0.64 -2.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.36 2be2 n LYS 287 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2be2 s ALA 288 N -4.02 3.62 -0.70 7.82 0.00 -1.26 -4.87 121.76 122.36 2be2 s ALA 288 Ca 0.52 0.40 0.22 0.00 0.00 0.00 0.00 51.96 53.10 2be2 s ALA 288 Cb 0.44 -3.64 0.88 0.00 0.00 0.00 0.00 23.12 20.79 2be2 s ALA 288 CO -0.38 -1.26 1.67 1.28 0.00 0.00 0.00 175.76 177.07 2be2 n LEU 289 N 6.75 0.45 -0.04 0.00 4.77 -1.26 -3.67 117.00 124.00 2be2 n LEU 289 Ca 0.14 0.60 0.01 0.00 -0.03 0.00 0.00 56.01 56.73 2be2 n LEU 289 Cb 0.45 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2be2 n LEU 289 CO 0.57 -0.38 0.43 1.07 -1.33 0.00 0.00 177.39 177.74 2be2 n THR 290 N -1.98 0.78 -2.65 -5.08 5.66 -1.26 -1.42 114.28 108.34 2be2 n THR 290 Ca 0.03 -0.83 -0.42 0.00 -3.05 0.00 0.00 64.05 59.78 2be2 n THR 290 Cb 0.25 0.54 -0.03 0.00 -1.55 0.00 0.00 70.33 69.54 2be2 n THR 290 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2be2 s GLU 291 N -0.90 3.45 0.39 1.09 -6.30 -1.24 -4.80 118.70 110.40 2be2 s GLU 291 Ca 0.04 0.10 -0.26 0.00 -2.50 0.00 0.00 54.97 52.35 2be2 s GLU 291 Cb 0.04 -4.03 -0.11 0.00 0.00 0.00 0.00 34.13 30.02 2be2 s GLU 291 CO 0.00 -1.65 1.16 1.33 0.02 0.00 0.00 175.26 176.12 2be2 n VAL 292 N 6.54 2.37 -4.85 3.70 0.24 -1.26 -2.77 118.33 122.29 2be2 n VAL 292 Ca 0.07 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.34 61.59 2be2 n VAL 292 Cb 0.49 -1.37 -0.17 0.00 -1.47 0.00 0.00 33.84 31.32 2be2 n VAL 292 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2be2 s ILE 293 N -1.19 1.55 -0.14 1.34 1.01 0.54 -4.89 121.20 119.42 2be2 s ILE 293 Ca 0.61 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 2be2 s ILE 293 Cb -0.55 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 2be2 s ILE 293 CO 0.58 0.45 1.26 -2.84 0.00 0.00 0.00 174.94 174.39 2be2 s PRO 294 N 0.54 4.25 -0.01 2.79 0.02 -1.26 -3.88 135.00 137.46 2be2 s PRO 294 Ca -0.16 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.24 2be2 s PRO 294 Cb -0.17 -3.73 -0.07 0.00 0.02 0.00 0.00 34.50 30.56 2be2 s PRO 294 CO 0.06 -0.66 1.67 -0.51 -0.33 0.00 0.00 177.00 177.22 2be2 s LEU 295 N 3.25 4.34 0.71 -5.54 1.02 -1.26 -4.99 118.68 116.22 2be2 s LEU 295 Ca 0.56 2.34 -0.13 0.00 0.02 0.00 0.00 54.13 56.91 2be2 s LEU 295 Cb -0.23 -3.54 0.03 0.00 0.02 0.00 0.00 46.19 42.47 2be2 s LEU 295 CO 0.17 -0.91 1.12 0.28 0.02 0.00 0.00 176.35 177.02 2be2 s THR 296 N 3.57 3.11 0.15 5.49 -1.32 -1.26 -4.88 115.64 120.49 2be2 s THR 296 Ca 0.74 0.46 -0.17 0.00 -1.21 0.00 0.00 61.69 61.52 2be2 s THR 296 Cb -0.36 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 2be2 s THR 296 CO 0.31 -0.37 1.77 -0.33 -2.21 0.00 0.00 174.62 173.79 2be2 h GLU 297 N -0.42 0.31 -0.16 7.08 3.07 -1.99 -1.66 114.58 120.81 2be2 h GLU 297 Ca -0.46 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.36 2be2 h GLU 297 Cb 1.25 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 2be2 h GLU 297 CO 0.52 0.21 0.00 0.93 -1.40 0.00 0.00 179.01 179.27 2be2 h GLU 298 N 0.32 0.27 -0.82 2.33 3.07 -1.98 -1.15 114.58 116.63 2be2 h GLU 298 Ca 0.14 -0.09 0.18 0.00 -0.50 0.00 0.00 59.36 59.10 2be2 h GLU 298 Cb 0.07 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.90 2be2 h GLU 298 CO -0.11 0.49 0.55 0.00 -1.40 0.00 0.00 179.01 178.53 2be2 h ALA 299 N 0.77 2.20 0.00 3.43 0.00 -1.79 0.63 119.26 124.51 2be2 h ALA 299 Ca 0.04 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2be2 h ALA 299 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2be2 h ALA 299 CO 0.01 -0.44 -1.12 0.93 0.00 0.00 0.00 179.25 178.62 2be2 h GLU 300 N 0.38 0.00 0.00 0.00 5.08 -1.07 -1.04 114.58 117.93 2be2 h GLU 300 Ca 0.41 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 2be2 h GLU 300 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2be2 h GLU 300 CO -0.13 0.88 -0.49 1.25 -1.00 0.00 0.00 179.01 179.52 2be2 h LEU 301 N 0.00 0.00 0.07 1.33 5.85 0.50 -1.63 115.31 121.43 2be2 h LEU 301 Ca -0.06 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 2be2 h LEU 301 Cb 1.80 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.85 2be2 h LEU 301 CO 0.12 0.49 -0.48 -0.08 -0.34 0.00 0.00 178.44 178.15 2be2 h GLU 302 N 0.00 0.20 -0.74 1.25 4.81 0.15 -3.01 114.58 117.25 2be2 h GLU 302 Ca -0.00 -0.31 0.06 0.00 -0.13 0.00 0.00 59.36 58.98 2be2 h GLU 302 Cb 1.05 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 2be2 h GLU 302 CO 0.06 1.12 0.48 1.25 -0.73 0.00 0.00 179.01 181.20 2be2 h LEU 303 N -0.56 0.68 -0.03 1.64 5.85 -1.15 -1.49 115.31 120.25 2be2 h LEU 303 Ca -0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2be2 h LEU 303 Cb 1.34 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2be2 h LEU 303 CO 0.09 0.44 0.01 0.00 -0.34 0.00 0.00 178.44 178.64 2be2 h ALA 304 N 1.60 0.04 -0.96 1.25 0.00 -1.35 -2.02 119.26 117.82 2be2 h ALA 304 Ca 0.32 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2be2 h ALA 304 Cb 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2be2 h ALA 304 CO -0.11 -0.34 0.62 0.93 0.00 0.00 0.00 179.25 180.36 2be2 h GLU 305 N -0.18 1.12 -0.84 0.00 5.08 -1.25 -1.99 114.58 116.51 2be2 h GLU 305 Ca 0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2be2 h GLU 305 Cb 0.25 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2be2 h GLU 305 CO 0.00 0.74 0.46 -0.91 -1.00 0.00 0.00 179.01 178.30 2be2 h ASN 306 N 1.15 1.05 -0.55 1.42 2.35 -1.12 -2.02 115.58 117.87 2be2 h ASN 306 Ca 0.40 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 2be2 h ASN 306 Cb 0.11 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2be2 h ASN 306 CO -0.15 0.85 0.26 0.03 -1.65 0.00 0.00 177.43 176.76 2be2 h ARG 307 N 1.17 0.79 -0.36 0.81 3.08 -0.66 -1.36 114.38 117.86 2be2 h ARG 307 Ca 0.30 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2be2 h ARG 307 Cb 0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2be2 h ARG 307 CO -0.05 0.65 0.21 1.49 -1.07 0.00 0.00 179.97 181.20 2be2 h GLU 308 N 0.73 0.50 -0.90 0.04 4.57 -1.08 -2.19 114.58 116.26 2be2 h GLU 308 Ca 0.19 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2be2 h GLU 308 Cb 0.12 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 2be2 h GLU 308 CO -0.02 0.40 0.57 0.82 -1.18 0.00 0.00 179.01 179.60 2be2 h ILE 309 N 0.47 1.24 0.00 2.32 2.04 -1.11 -1.09 117.51 121.38 2be2 h ILE 309 Ca 0.13 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2be2 h ILE 309 Cb 0.03 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 2be2 h ILE 309 CO -0.02 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.55 2be2 n LEU 310 N -4.43 0.00 0.01 1.44 4.77 -0.53 -3.52 117.00 114.73 2be2 n LEU 310 Ca 0.10 0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 56.43 2be2 n LEU 310 Cb 0.03 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 2be2 n LEU 310 CO 0.37 -0.19 0.85 0.11 -1.33 0.00 0.00 177.39 177.20 2be2 h LYS 311 N 0.00 0.06 -5.59 3.23 1.57 -0.56 -3.41 116.57 111.88 2be2 h LYS 311 Ca 0.00 -0.01 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2be2 h LYS 311 Cb 0.28 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.48 2be2 h LYS 311 CO 0.00 0.12 -0.27 -1.21 -0.57 0.00 0.00 179.45 177.51 2be2 s GLU 312 N -5.89 4.25 0.55 3.15 0.41 -1.23 -5.06 118.70 114.87 2be2 s GLU 312 Ca -0.13 0.20 -0.21 0.00 -0.41 0.00 0.00 54.97 54.42 2be2 s GLU 312 Cb 0.06 -3.41 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 2be2 s GLU 312 CO 0.67 0.25 1.25 -2.14 -0.49 0.00 0.00 175.26 174.80 2be2 s PRO 313 N 0.41 3.20 0.08 0.39 0.02 -1.26 -5.03 135.00 132.80 2be2 s PRO 313 Ca 0.19 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.20 2be2 s PRO 313 Cb -0.14 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 2be2 s PRO 313 CO 0.06 -1.06 -0.09 0.08 -0.33 0.00 0.00 177.00 175.66 2be2 s VAL 314 N -1.47 0.80 0.12 3.83 1.01 -1.26 -5.17 120.40 118.27 2be2 s VAL 314 Ca 0.72 -1.50 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2be2 s VAL 314 Cb -0.34 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2be2 s VAL 314 CO 0.39 -0.53 -0.04 -1.38 0.00 0.00 0.00 175.10 173.54 2be2 s HIS 315 N -2.22 1.00 0.26 5.22 -3.43 -1.26 -4.73 115.29 110.13 2be2 s HIS 315 Ca 0.01 -0.96 0.11 0.00 -0.80 0.00 0.00 55.06 53.43 2be2 s HIS 315 Cb -0.04 -0.57 -0.05 0.00 -1.43 0.00 0.00 32.58 30.49 2be2 s HIS 315 CO -0.00 -0.18 -0.17 0.20 -2.00 0.00 0.00 174.74 172.58 2be2 s GLY 316 N -3.09 1.83 0.43 -1.38 0.00 0.23 -4.75 107.32 100.59 2be2 s GLY 316 Ca 0.16 -1.80 0.07 0.00 0.00 0.00 0.00 44.72 43.15 2be2 s GLY 316 CO -0.02 -1.88 0.32 0.54 0.00 0.00 0.00 173.10 172.06 2be2 s VAL 317 N -2.35 2.41 0.57 1.40 0.11 0.09 -0.25 120.40 122.38 2be2 s VAL 317 Ca 0.29 -1.48 -0.02 0.00 -2.93 0.00 0.00 61.98 57.84 2be2 s VAL 317 Cb -0.06 -2.89 0.02 0.00 -1.53 0.00 0.00 36.38 31.93 2be2 s VAL 317 CO 0.15 0.00 0.83 -0.31 -3.33 0.00 0.00 175.10 172.44 2be2 s TYR 318 N -2.55 3.05 0.14 1.54 4.12 -1.26 -4.57 117.35 117.81 2be2 s TYR 318 Ca 0.44 0.29 -0.26 0.00 0.02 0.00 0.00 57.07 57.56 2be2 s TYR 318 Cb -0.01 -2.73 -0.07 0.00 -1.52 0.00 0.00 41.96 37.63 2be2 s TYR 318 CO 0.25 -0.84 0.79 -0.47 0.02 0.00 0.00 175.55 175.29 2be2 s TYR 319 N -2.86 3.87 -0.32 2.71 5.04 -0.02 -4.90 117.35 120.86 2be2 s TYR 319 Ca 0.55 1.61 0.03 0.00 -2.44 0.00 0.00 57.07 56.82 2be2 s TYR 319 Cb -0.10 -2.80 0.09 0.00 0.35 0.00 0.00 41.96 39.50 2be2 s TYR 319 CO 0.41 0.44 0.02 0.34 -1.34 0.00 0.00 175.55 175.42 2be2 s ASP 320 N -0.84 4.57 0.50 4.32 -1.08 -1.26 -3.77 116.67 119.10 2be2 s ASP 320 Ca 0.37 -1.90 0.20 0.00 -0.52 0.00 0.00 52.55 50.70 2be2 s ASP 320 Cb -0.23 -1.50 1.26 0.00 -1.46 0.00 0.00 42.92 40.99 2be2 s ASP 320 CO 0.26 -0.34 2.01 1.55 0.52 0.00 0.00 175.17 179.16 2be2 h PRO 321 N 7.71 0.13 0.43 4.34 0.13 -1.98 -2.84 132.00 139.93 2be2 h PRO 321 Ca -0.09 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2be2 h PRO 321 Cb 1.03 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2be2 h PRO 321 CO 0.50 0.09 -0.30 0.77 -0.23 0.00 0.00 178.00 178.82 2be2 h SER 322 N 0.14 -0.79 -4.22 1.44 0.02 -2.05 -3.42 113.55 104.67 2be2 h SER 322 Ca 0.23 0.05 -0.52 0.00 -0.84 0.00 0.00 61.79 60.71 2be2 h SER 322 Cb 0.73 0.24 0.16 0.00 0.14 0.00 0.00 62.40 63.67 2be2 h SER 322 CO -0.03 -0.45 0.33 -0.54 -1.14 0.00 0.00 176.83 175.01 2be2 s LYS 323 N -4.76 1.92 0.55 3.45 1.02 -1.07 -5.04 119.74 115.82 2be2 s LYS 323 Ca -0.11 1.58 0.07 0.00 0.02 0.00 0.00 55.97 57.52 2be2 s LYS 323 Cb 0.02 -1.83 0.07 0.00 -0.52 0.00 0.00 37.83 35.57 2be2 s LYS 323 CO 0.36 -1.96 0.76 0.16 -0.92 0.00 0.00 175.35 173.75 2be2 s ASP 324 N -2.46 5.16 -0.08 2.83 1.47 -1.26 -4.84 116.67 117.49 2be2 s ASP 324 Ca 0.70 -0.57 -0.14 0.00 1.18 0.00 0.00 52.55 53.71 2be2 s ASP 324 Cb -0.25 -0.13 -0.05 0.00 -0.34 0.00 0.00 42.92 42.15 2be2 s ASP 324 CO 0.50 -1.24 0.35 -0.76 0.68 0.00 0.00 175.17 174.70 2be2 s LEU 325 N -4.66 4.36 -0.02 2.11 1.43 -1.26 -4.45 118.68 116.18 2be2 s LEU 325 Ca 0.60 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.47 2be2 s LEU 325 Cb -0.07 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 2be2 s LEU 325 CO 0.38 0.21 -0.14 -0.63 0.23 0.00 0.00 176.35 176.40 2be2 s ILE 326 N -0.30 1.13 -0.04 -0.59 1.01 -0.52 0.39 121.20 122.27 2be2 s ILE 326 Ca 0.21 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2be2 s ILE 326 Cb -0.15 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.36 2be2 s ILE 326 CO 0.09 0.33 -0.17 0.00 0.00 0.00 0.00 174.94 175.18 2be2 s ALA 327 N -0.11 1.54 0.03 9.38 0.00 0.65 -0.59 121.76 132.66 2be2 s ALA 327 Ca 0.01 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2be2 s ALA 327 Cb -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2be2 s ALA 327 CO 0.00 0.28 -0.18 -2.00 0.00 0.00 0.00 175.76 173.87 2be2 s GLU 328 N 0.04 1.21 0.00 0.00 2.12 -0.77 0.07 118.70 121.37 2be2 s GLU 328 Ca -0.04 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.50 2be2 s GLU 328 Cb -0.12 -1.26 -0.01 0.00 0.26 0.00 0.00 34.13 33.01 2be2 s GLU 328 CO 0.02 0.32 -0.06 0.42 -0.54 0.00 0.00 175.26 175.42 2be2 s ILE 329 N -0.74 0.47 0.00 -3.70 1.01 -1.08 -1.98 121.20 115.18 2be2 s ILE 329 Ca 0.05 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2be2 s ILE 329 Cb -0.08 -0.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 2be2 s ILE 329 CO 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 174.94 174.91 2be2 s GLN 330 N -0.39 0.58 0.61 2.79 0.00 -0.81 -4.20 119.66 118.24 2be2 s GLN 330 Ca 0.00 -0.36 -0.16 0.00 -0.00 0.00 0.00 55.36 54.84 2be2 s GLN 330 Cb -0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 33.01 32.41 2be2 s GLN 330 CO -0.00 0.14 1.10 0.21 0.00 0.00 0.00 175.29 176.74 2be2 s LYS 331 N -0.44 3.06 0.00 9.60 2.20 -1.26 -2.47 119.74 130.43 2be2 s LYS 331 Ca 0.01 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 2be2 s LYS 331 Cb -0.04 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.30 2be2 s LYS 331 CO -0.00 -1.05 0.00 1.04 -0.36 0.00 0.00 175.35 174.98 2be2 n GLN 332 N -2.02 0.00 -3.37 4.03 6.02 -0.22 -4.83 117.38 116.99 2be2 n GLN 332 Ca 0.10 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.11 2be2 n GLN 332 Cb 0.52 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.75 2be2 n GLN 332 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2be2 s GLY 333 N -0.56 -0.73 -0.38 1.08 0.00 -1.23 -5.00 107.32 100.51 2be2 s GLY 333 Ca 0.00 2.29 -0.06 0.00 0.00 0.00 0.00 44.72 46.94 2be2 s GLY 333 CO 0.00 3.28 0.43 0.61 0.00 0.00 0.00 173.10 177.43 2be2 n GLN 334 N 5.38 -1.31 -1.23 2.90 10.64 -1.26 -3.87 117.38 128.63 2be2 n GLN 334 Ca -0.07 1.43 -0.08 0.00 -1.83 0.00 0.00 57.00 56.45 2be2 n GLN 334 Cb 0.51 -4.36 -0.03 0.00 -0.86 0.00 0.00 30.24 25.49 2be2 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2be2 n GLY 335 N -0.85 0.87 3.33 2.61 0.00 -1.26 -4.98 105.19 104.91 2be2 n GLY 335 Ca 0.05 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 2be2 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2be2 s GLN 336 N -2.37 3.10 0.06 1.61 -0.21 -1.25 -4.25 119.66 116.34 2be2 s GLN 336 Ca 0.00 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 54.66 2be2 s GLN 336 Cb 0.00 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 2be2 s GLN 336 CO 0.00 0.27 -0.12 -1.58 -2.12 0.00 0.00 175.29 171.74 2be2 s TRP 337 N 0.16 1.06 0.12 0.91 0.52 -0.99 -1.05 118.94 119.67 2be2 s TRP 337 Ca -0.10 -0.45 0.05 0.00 0.02 0.00 0.00 56.10 55.62 2be2 s TRP 337 Cb -0.16 -0.61 -0.04 0.00 -1.15 0.00 0.00 33.47 31.52 2be2 s TRP 337 CO 0.06 0.02 -0.11 -0.08 0.02 0.00 0.00 176.95 176.85 2be2 s THR 338 N -1.24 1.12 0.16 2.01 -1.32 -1.03 -1.16 115.64 114.18 2be2 s THR 338 Ca -0.04 -1.80 -0.11 0.00 -1.21 0.00 0.00 61.69 58.53 2be2 s THR 338 Cb -0.10 -1.57 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 2be2 s THR 338 CO 0.02 -0.58 0.33 -0.72 -2.21 0.00 0.00 174.62 171.45 2be2 s TYR 339 N -2.66 0.25 0.01 9.09 1.13 0.59 -1.93 117.35 123.83 2be2 s TYR 339 Ca 0.10 -0.61 -0.03 0.00 -1.41 0.00 0.00 57.07 55.12 2be2 s TYR 339 Cb -0.02 0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.88 2be2 s TYR 339 CO 0.01 -0.75 0.03 1.14 -2.51 0.00 0.00 175.55 173.48 2be2 s GLN 340 N -3.93 0.34 -0.08 -3.49 0.00 -0.84 -1.61 119.66 110.05 2be2 s GLN 340 Ca 0.14 -0.47 0.04 0.00 -0.00 0.00 0.00 55.36 55.07 2be2 s GLN 340 Cb 0.02 0.13 -0.00 0.00 0.00 0.00 0.00 33.01 33.17 2be2 s GLN 340 CO -0.02 -0.07 -0.22 0.42 0.00 0.00 0.00 175.29 175.40 2be2 s ILE 341 N -1.28 1.88 0.24 3.63 1.01 -0.39 -1.85 121.20 124.44 2be2 s ILE 341 Ca -0.14 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.45 2be2 s ILE 341 Cb -0.08 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 2be2 s ILE 341 CO -0.00 0.52 0.47 -0.72 0.00 0.00 0.00 174.94 175.21 2be2 s TYR 342 N 0.25 0.31 -0.05 3.97 -0.85 0.25 -0.40 117.35 120.82 2be2 s TYR 342 Ca -0.14 -0.67 0.01 0.00 -0.52 0.00 0.00 57.07 55.76 2be2 s TYR 342 Cb -0.16 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 2be2 s TYR 342 CO 0.07 -0.97 -0.03 1.04 -1.52 0.00 0.00 175.55 174.14 2be2 n GLN 343 N -0.36 1.17 -4.38 -3.49 6.02 -1.26 -1.45 117.38 113.64 2be2 n GLN 343 Ca -0.03 0.02 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 2be2 n GLN 343 Cb 0.62 -1.10 -0.12 0.00 1.02 0.00 0.00 30.24 30.66 2be2 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2be2 s GLU 344 N -2.10 1.38 0.33 -1.09 2.02 -1.26 -4.86 118.70 113.13 2be2 s GLU 344 Ca -0.05 -1.43 -0.29 0.00 0.02 0.00 0.00 54.97 53.22 2be2 s GLU 344 Cb 0.02 -1.63 -0.12 0.00 0.10 0.00 0.00 34.13 32.50 2be2 s GLU 344 CO 0.13 0.35 1.49 -2.30 0.02 0.00 0.00 175.26 174.95 2be2 n PRO 345 N 0.42 2.55 -0.89 0.39 -0.02 -1.26 -2.05 135.00 134.14 2be2 n PRO 345 Ca -0.14 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2be2 n PRO 345 Cb 0.56 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2be2 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2be2 n PHE 346 N 1.13 0.00 -3.84 6.00 3.01 -1.26 -4.98 117.46 117.53 2be2 n PHE 346 Ca 0.05 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.21 2be2 n PHE 346 Cb 0.37 -1.02 -0.14 0.00 -0.01 0.00 0.00 39.48 38.68 2be2 n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2be2 s LYS 347 N -0.90 1.36 0.16 -1.08 1.02 -0.87 -5.11 119.74 114.32 2be2 s LYS 347 Ca 0.00 -1.92 -0.30 0.00 0.02 0.00 0.00 55.97 53.77 2be2 s LYS 347 Cb 0.00 -2.67 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 2be2 s LYS 347 CO 0.00 -1.07 1.22 -0.80 -0.92 0.00 0.00 175.35 173.79 2be2 s ASN 348 N 0.59 7.04 -0.01 2.83 0.01 -1.26 -4.13 114.94 120.01 2be2 s ASN 348 Ca 0.14 2.23 -0.21 0.00 -0.71 0.00 0.00 52.86 54.31 2be2 s ASN 348 Cb -0.22 -2.60 -0.25 0.00 0.41 0.00 0.00 41.25 38.58 2be2 s ASN 348 CO -0.07 -0.42 1.04 -0.07 -1.51 0.00 0.00 177.10 176.07 2be2 h LEU 349 N 5.61 0.48 -7.65 0.60 -0.00 -0.97 0.28 115.31 113.67 2be2 h LEU 349 Ca -0.44 -0.81 0.25 0.00 -0.00 0.00 0.00 57.88 56.88 2be2 h LEU 349 Cb 1.21 -0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 41.64 2be2 h LEU 349 CO 0.77 1.24 0.70 -1.59 -0.00 0.00 0.00 178.44 179.56 2be2 s LYS 350 N -3.00 0.81 0.33 1.13 -2.85 -1.16 -4.21 119.74 110.79 2be2 s LYS 350 Ca -0.14 -0.49 0.03 0.00 -1.00 0.00 0.00 55.97 54.38 2be2 s LYS 350 Cb 0.03 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 2be2 s LYS 350 CO 0.82 -0.38 0.13 0.25 0.10 0.00 0.00 175.35 176.27 2be2 n THR 351 N -0.62 0.00 0.00 3.79 -2.24 0.28 -1.26 114.28 114.24 2be2 n THR 351 Ca -0.04 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 2be2 n THR 351 Cb 0.61 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2be2 n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2be2 n GLY 352 N -0.25 -0.22 3.16 3.38 0.00 -0.63 -4.29 105.19 106.34 2be2 n GLY 352 Ca -0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 2be2 n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2be2 s LYS 353 N -2.00 0.80 -0.22 1.61 -2.85 -1.26 -0.30 119.74 115.52 2be2 s LYS 353 Ca 0.00 -1.29 -0.04 0.00 -1.00 0.00 0.00 55.97 53.63 2be2 s LYS 353 Cb 0.00 -0.17 0.08 0.00 -2.06 0.00 0.00 37.83 35.67 2be2 s LYS 353 CO 0.00 -0.02 0.11 -0.47 0.10 0.00 0.00 175.35 175.06 2be2 s TYR 354 N -3.53 0.29 -0.51 1.78 5.04 -0.31 -4.98 117.35 115.13 2be2 s TYR 354 Ca 0.10 -0.58 0.07 0.00 -2.44 0.00 0.00 57.07 54.23 2be2 s TYR 354 Cb 0.05 -0.80 0.27 0.00 0.35 0.00 0.00 41.96 41.83 2be2 s TYR 354 CO -0.05 -0.65 0.68 0.00 -1.34 0.00 0.00 175.55 174.19 2be2 n ALA 355 N 5.26 3.27 -3.59 3.97 0.00 -1.26 -2.34 120.51 125.82 2be2 n ALA 355 Ca -0.07 -4.08 -0.25 0.00 0.00 0.00 0.00 53.44 49.05 2be2 n ALA 355 Cb 0.46 -0.85 -0.17 0.00 0.00 0.00 0.00 19.45 18.89 2be2 n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2be2 s ARG 356 N -2.08 1.56 -0.04 0.00 3.52 -1.26 -5.03 118.95 115.62 2be2 s ARG 356 Ca 0.39 -0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 55.63 2be2 s ARG 356 Cb 0.19 -1.38 -0.27 0.00 -1.56 0.00 0.00 34.95 31.93 2be2 s ARG 356 CO -0.07 -0.06 0.68 0.52 -0.81 0.00 0.00 175.30 175.56 2be2 h MET 357 N 7.29 0.22 -1.67 5.12 2.86 -1.96 -3.48 114.93 123.30 2be2 h MET 357 Ca -0.31 -0.38 -0.28 0.00 -2.06 0.00 0.00 59.70 56.67 2be2 h MET 357 Cb 1.17 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.93 2be2 h MET 357 CO 0.46 1.05 -0.33 0.54 1.06 0.00 0.00 176.91 179.68 2be2 n ARG 358 N -3.40 -1.08 0.00 1.72 1.74 -1.26 -4.89 116.66 109.49 2be2 n ARG 358 Ca -0.21 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 2be2 n ARG 358 Cb 1.05 -4.98 0.00 0.00 -1.02 0.00 0.00 32.46 27.51 2be2 n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2be2 n GLY 359 N -1.08 2.41 0.29 -0.13 0.00 -1.26 -4.96 105.19 100.46 2be2 n GLY 359 Ca -0.16 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 2be2 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2be2 h ALA 360 N 0.00 0.85 -3.40 4.61 0.00 -1.97 -3.45 119.26 115.90 2be2 h ALA 360 Ca 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 54.91 54.20 2be2 h ALA 360 Cb 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 17.79 17.38 2be2 h ALA 360 CO 0.00 0.65 -0.77 -1.01 0.00 0.00 0.00 179.25 178.12 2be2 s HIS 361 N -4.81 1.02 0.29 0.00 3.76 -1.26 -0.45 115.29 113.84 2be2 s HIS 361 Ca -0.11 -0.45 -0.11 0.00 -0.15 0.00 0.00 55.06 54.25 2be2 s HIS 361 Cb 0.13 -0.59 0.04 0.00 1.11 0.00 0.00 32.58 33.28 2be2 s HIS 361 CO 0.85 0.01 0.58 2.41 -0.85 0.00 0.00 174.74 177.74 2be2 n THR 362 N 1.47 0.00 -4.06 1.30 -1.04 -0.95 -5.02 114.28 105.98 2be2 n THR 362 Ca -0.21 -0.74 -0.08 0.00 -2.04 0.00 0.00 64.05 60.98 2be2 n THR 362 Cb 0.54 0.73 -0.10 0.00 -1.82 0.00 0.00 70.33 69.69 2be2 n THR 362 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2be2 s ASN 363 N -2.53 0.39 0.22 8.00 2.20 -1.26 -0.97 114.94 121.00 2be2 s ASN 363 Ca 0.12 -0.98 -0.08 0.00 -0.94 0.00 0.00 52.86 50.98 2be2 s ASN 363 Cb -0.04 0.24 0.33 0.00 -2.00 0.00 0.00 41.25 39.79 2be2 s ASN 363 CO 0.09 -0.65 1.74 0.44 -2.94 0.00 0.00 177.10 175.78 2be2 h ASP 364 N 3.02 0.26 0.01 3.54 3.45 -1.94 -2.09 116.42 122.67 2be2 h ASP 364 Ca -0.34 0.08 0.02 0.00 0.43 0.00 0.00 57.03 57.23 2be2 h ASP 364 Cb 1.16 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.96 2be2 h ASP 364 CO 0.63 0.14 -0.16 0.58 -1.57 0.00 0.00 179.24 178.86 2be2 h VAL 365 N 0.44 0.61 -0.24 -1.35 2.07 -1.97 0.55 116.25 116.36 2be2 h VAL 365 Ca 0.34 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 2be2 h VAL 365 Cb 0.44 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2be2 h VAL 365 CO -0.33 0.00 0.07 0.50 0.02 0.00 0.00 177.57 177.83 2be2 h LYS 366 N -0.27 0.33 0.17 1.57 3.64 -1.92 0.14 116.57 120.23 2be2 h LYS 366 Ca 0.05 -0.04 -0.30 0.00 -1.27 0.00 0.00 60.65 59.09 2be2 h LYS 366 Cb 0.34 -0.06 0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2be2 h LYS 366 CO -0.15 0.30 -1.29 1.96 -2.27 0.00 0.00 179.45 178.00 2be2 h GLN 367 N 0.33 0.57 -0.83 1.90 4.20 -0.92 -2.82 115.11 117.54 2be2 h GLN 367 Ca 0.08 -0.84 -0.01 0.00 0.06 0.00 0.00 58.65 57.94 2be2 h GLN 367 Cb 0.11 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 2be2 h GLN 367 CO -0.01 1.39 0.48 1.25 -0.67 0.00 0.00 178.83 181.27 2be2 h LEU 368 N 0.17 1.01 -0.82 1.46 5.85 0.76 -0.06 115.31 123.69 2be2 h LEU 368 Ca -0.21 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 2be2 h LEU 368 Cb 1.98 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2be2 h LEU 368 CO 0.25 0.80 -0.27 0.74 -0.34 0.00 0.00 178.44 179.61 2be2 h THR 369 N 1.15 1.27 -0.28 1.05 2.02 -0.78 -2.09 112.91 115.26 2be2 h THR 369 Ca 0.30 -1.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.02 2be2 h THR 369 Cb -0.01 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2be2 h THR 369 CO -0.05 0.43 -0.24 -0.33 0.37 0.00 0.00 175.52 175.70 2be2 h GLU 370 N 0.50 0.65 -0.98 6.66 5.08 -1.08 -2.32 114.58 123.09 2be2 h GLU 370 Ca 0.07 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2be2 h GLU 370 Cb 0.73 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2be2 h GLU 370 CO 0.06 0.94 0.64 0.00 -1.00 0.00 0.00 179.01 179.64 2be2 h ALA 371 N 0.70 1.40 -0.79 3.43 0.00 -0.87 -0.14 119.26 123.00 2be2 h ALA 371 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2be2 h ALA 371 Cb 0.80 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2be2 h ALA 371 CO 0.06 0.47 0.52 0.28 0.00 0.00 0.00 179.25 180.58 2be2 h VAL 372 N 1.18 1.19 -0.25 0.00 2.07 -1.16 -1.88 116.25 117.39 2be2 h VAL 372 Ca 0.41 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2be2 h VAL 372 Cb 0.11 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2be2 h VAL 372 CO -0.15 0.19 0.14 -0.61 0.02 0.00 0.00 177.57 177.16 2be2 h GLN 373 N 1.05 0.36 -0.79 1.57 5.75 -0.51 0.03 115.11 122.58 2be2 h GLN 373 Ca 0.29 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.75 2be2 h GLN 373 Cb -0.10 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 2be2 h GLN 373 CO -0.07 0.33 0.47 -0.22 -2.65 0.00 0.00 178.83 176.69 2be2 h LYS 374 N 0.29 1.07 -0.44 1.69 3.64 -0.96 -1.13 116.57 120.74 2be2 h LYS 374 Ca 0.09 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2be2 h LYS 374 Cb 0.08 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2be2 h LYS 374 CO -0.01 0.76 -0.01 0.82 -2.27 0.00 0.00 179.45 178.73 2be2 h ILE 375 N 1.08 1.26 -0.45 2.00 2.04 -1.14 -1.40 117.51 120.90 2be2 h ILE 375 Ca 0.28 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.13 2be2 h ILE 375 Cb -0.04 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 2be2 h ILE 375 CO -0.05 0.36 0.23 0.74 0.00 0.00 0.00 178.15 179.43 2be2 h THR 376 N 0.61 0.97 -0.46 -0.27 2.02 -0.58 0.36 112.91 115.57 2be2 h THR 376 Ca 0.12 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2be2 h THR 376 Cb 0.50 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2be2 h THR 376 CO 0.02 0.08 0.24 0.74 0.37 0.00 0.00 175.52 176.98 2be2 h THR 377 N 0.46 1.17 -0.60 3.16 2.02 -1.02 -1.49 112.91 116.61 2be2 h THR 377 Ca 0.19 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2be2 h THR 377 Cb 0.09 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 2be2 h THR 377 CO -0.13 0.18 0.31 -0.08 0.37 0.00 0.00 175.52 176.17 2be2 h GLU 378 N 0.60 0.85 -0.56 6.66 4.81 -0.58 -1.32 114.58 125.04 2be2 h GLU 378 Ca 0.16 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2be2 h GLU 378 Cb 0.07 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2be2 h GLU 378 CO -0.02 0.66 0.35 0.77 -0.73 0.00 0.00 179.01 180.04 2be2 h SER 379 N 0.81 0.66 -0.46 1.04 0.02 -0.05 0.69 113.55 116.26 2be2 h SER 379 Ca 0.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2be2 h SER 379 Cb 0.08 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2be2 h SER 379 CO -0.03 0.51 0.24 0.40 -1.14 0.00 0.00 176.83 176.81 2be2 h ILE 380 N 0.75 1.18 0.14 3.27 2.04 -1.00 0.14 117.51 124.03 2be2 h ILE 380 Ca 0.20 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2be2 h ILE 380 Cb -0.04 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2be2 h ILE 380 CO -0.04 0.19 -0.07 0.58 0.00 0.00 0.00 178.15 178.82 2be2 h VAL 381 N 0.61 0.90 -0.08 1.67 2.07 -0.67 -0.16 116.25 120.58 2be2 h VAL 381 Ca 0.16 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 2be2 h VAL 381 Cb 0.09 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2be2 h VAL 381 CO -0.02 0.04 -0.47 0.40 0.02 0.00 0.00 177.57 177.53 2be2 h ILE 382 N -0.25 1.39 0.00 4.57 2.04 -0.76 -3.40 117.51 121.10 2be2 h ILE 382 Ca -0.02 -1.83 -0.10 0.00 1.00 0.00 0.00 64.86 63.90 2be2 h ILE 382 Cb 0.20 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2be2 h ILE 382 CO 0.03 0.54 -1.71 0.79 0.00 0.00 0.00 178.15 177.80 2be2 n TRP 383 N -4.27 0.00 -0.58 1.37 8.01 0.44 -4.71 117.44 117.70 2be2 n TRP 383 Ca -0.08 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.11 2be2 n TRP 383 Cb 0.59 -0.44 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 2be2 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2be2 n GLY 384 N 1.98 0.88 3.82 6.99 0.00 -0.07 -5.01 105.19 113.78 2be2 n GLY 384 Ca -0.11 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2be2 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2be2 s LYS 385 N -1.32 1.59 0.04 1.61 -2.85 -1.25 -4.95 119.74 112.61 2be2 s LYS 385 Ca 0.00 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.07 2be2 s LYS 385 Cb 0.00 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 2be2 s LYS 385 CO 0.00 -0.73 0.14 0.95 0.10 0.00 0.00 175.35 175.81 2be2 s THR 386 N -3.50 5.02 0.56 3.79 -4.23 -1.26 -2.96 115.64 113.06 2be2 s THR 386 Ca 0.12 -0.47 -0.00 0.00 -1.18 0.00 0.00 61.69 60.16 2be2 s THR 386 Cb -0.04 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.43 2be2 s THR 386 CO 0.06 0.21 0.80 -2.16 -0.54 0.00 0.00 174.62 172.98 2be2 s PRO 387 N -2.24 2.61 -0.12 3.99 0.04 -1.26 -4.81 135.00 133.22 2be2 s PRO 387 Ca 0.30 -0.61 -0.20 0.00 0.04 0.00 0.00 61.00 60.53 2be2 s PRO 387 Cb -0.13 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2be2 s PRO 387 CO 0.22 -0.71 0.58 0.15 0.04 0.00 0.00 177.00 177.28 2be2 s LYS 388 N -4.81 4.35 0.08 4.56 1.02 0.16 -4.84 119.74 120.26 2be2 s LYS 388 Ca 0.56 0.62 -0.10 0.00 0.02 0.00 0.00 55.97 57.07 2be2 s LYS 388 Cb -0.10 -3.47 -0.06 0.00 -0.52 0.00 0.00 37.83 33.68 2be2 s LYS 388 CO 0.40 0.05 0.40 -0.06 -0.92 0.00 0.00 175.35 175.22 2be2 s PHE 389 N 0.94 3.58 -0.20 3.18 0.08 -1.18 -0.25 117.98 124.12 2be2 s PHE 389 Ca 0.30 0.80 0.01 0.00 0.12 0.00 0.00 56.93 58.15 2be2 s PHE 389 Cb -0.16 -2.17 0.05 0.00 -0.57 0.00 0.00 43.02 40.17 2be2 s PHE 389 CO 0.13 0.52 -0.08 0.15 -0.10 0.00 0.00 175.22 175.84 2be2 s LYS 390 N -1.91 1.78 0.01 0.44 1.02 0.11 -0.02 119.74 121.18 2be2 s LYS 390 Ca 0.33 -0.81 0.05 0.00 0.02 0.00 0.00 55.97 55.56 2be2 s LYS 390 Cb -0.14 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2be2 s LYS 390 CO 0.18 -0.48 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.47 2be2 s LEU 391 N 1.45 2.08 0.00 3.17 1.43 0.38 -2.64 118.68 124.55 2be2 s LEU 391 Ca -0.02 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2be2 s LEU 391 Cb -0.17 -0.74 -0.15 0.00 0.03 0.00 0.00 46.19 45.16 2be2 s LEU 391 CO -0.07 0.14 2.33 -0.81 0.23 0.00 0.00 176.35 178.16 2be2 n PRO 392 N 2.39 1.18 -3.74 1.29 -0.04 -1.26 -1.04 135.00 133.78 2be2 n PRO 392 Ca -0.16 -0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 62.61 2be2 n PRO 392 Cb 0.55 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 2be2 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2be2 s ILE 393 N 1.73 -0.01 0.33 0.52 2.07 -1.26 0.15 121.20 124.72 2be2 s ILE 393 Ca 0.38 0.04 -0.15 0.00 -1.41 0.00 0.00 60.65 59.52 2be2 s ILE 393 Cb 0.18 -0.47 -0.09 0.00 0.13 0.00 0.00 42.46 42.21 2be2 s ILE 393 CO 0.00 0.02 0.75 -1.58 -1.91 0.00 0.00 174.94 172.22 2be2 s GLN 394 N 0.61 4.01 0.32 3.50 0.74 -1.26 -4.52 119.66 123.05 2be2 s GLN 394 Ca -0.04 0.69 0.09 0.00 0.05 0.00 0.00 55.36 56.15 2be2 s GLN 394 Cb -0.05 -2.41 0.88 0.00 1.10 0.00 0.00 33.01 32.53 2be2 s GLN 394 CO -0.04 0.14 1.73 0.87 -0.55 0.00 0.00 175.29 177.44 2be2 h LYS 395 N 2.20 0.56 0.54 1.67 1.79 -2.00 -1.61 116.57 119.72 2be2 h LYS 395 Ca -0.48 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 57.93 2be2 h LYS 395 Cb 1.17 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2be2 h LYS 395 CO 0.65 0.37 -0.28 1.49 -1.08 0.00 0.00 179.45 180.60 2be2 h GLU 396 N 0.57 -0.73 -0.28 3.15 4.81 -1.98 0.15 114.58 120.27 2be2 h GLU 396 Ca 0.64 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.96 2be2 h GLU 396 Cb 1.22 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.71 2be2 h GLU 396 CO -0.48 -0.49 -0.39 1.15 -0.73 0.00 0.00 179.01 178.07 2be2 h THR 397 N -0.76 0.00 -0.89 0.32 2.02 -1.69 0.15 112.91 112.07 2be2 h THR 397 Ca -0.07 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2be2 h THR 397 Cb 0.59 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2be2 h THR 397 CO 0.10 0.00 0.58 -0.25 0.37 0.00 0.00 175.52 176.32 2be2 h TRP 398 N -0.28 1.13 -0.18 3.16 2.91 -1.51 -1.60 115.95 119.58 2be2 h TRP 398 Ca 0.05 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.13 2be2 h TRP 398 Cb 0.42 -0.38 -0.04 0.00 -0.51 0.00 0.00 29.16 28.65 2be2 h TRP 398 CO -0.69 0.72 -0.07 1.49 -1.03 0.00 0.00 178.44 178.86 2be2 h GLU 399 N 1.21 -0.04 0.29 2.65 4.57 0.33 -2.57 114.58 121.02 2be2 h GLU 399 Ca 0.32 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 2be2 h GLU 399 Cb -0.12 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2be2 h GLU 399 CO -0.07 -0.03 -0.14 1.15 -1.18 0.00 0.00 179.01 178.74 2be2 h THR 400 N -0.05 0.74 -0.75 0.32 2.02 -0.27 -2.81 112.91 112.10 2be2 h THR 400 Ca 0.09 -0.17 0.15 0.00 0.77 0.00 0.00 66.41 67.26 2be2 h THR 400 Cb 0.19 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 2be2 h THR 400 CO -0.21 0.04 0.50 -0.25 0.37 0.00 0.00 175.52 175.97 2be2 h TRP 401 N -0.48 0.46 0.00 3.16 7.01 -1.15 -3.05 115.95 121.91 2be2 h TRP 401 Ca -0.04 0.01 -0.32 0.00 2.11 0.00 0.00 58.89 60.65 2be2 h TRP 401 Cb 0.36 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.22 2be2 h TRP 401 CO -0.03 0.17 -1.94 -2.67 -2.79 0.00 0.00 178.44 171.18 2be2 n TRP 402 N -4.47 0.68 0.25 2.65 4.27 -0.98 -2.02 117.44 117.82 2be2 n TRP 402 Ca 0.14 0.24 0.13 0.00 -3.89 0.00 0.00 57.50 54.12 2be2 n TRP 402 Cb 0.54 -1.12 0.78 0.00 -1.36 0.00 0.00 31.31 30.15 2be2 n TRP 402 CO 0.00 0.00 0.00 1.15 -2.29 0.00 0.00 177.69 176.55 2be2 h THR 403 N 0.00 0.73 0.01 -1.67 2.02 -1.41 -1.98 112.91 110.61 2be2 h THR 403 Ca -0.37 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.50 2be2 h THR 403 Cb 2.09 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 69.41 2be2 h THR 403 CO 0.06 0.00 -1.81 1.21 0.37 0.00 0.00 175.52 175.36 2be2 n GLU 404 N -4.17 0.65 -1.82 6.66 2.13 -1.16 -4.94 120.64 117.99 2be2 n GLU 404 Ca -0.02 0.26 -0.42 0.00 0.66 0.00 0.00 57.16 57.65 2be2 n GLU 404 Cb 0.15 -1.76 -0.03 0.00 0.27 0.00 0.00 31.44 30.07 2be2 n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2be2 s TYR 405 N -2.58 2.94 -0.59 4.31 5.04 -0.75 -4.90 117.35 120.82 2be2 s TYR 405 Ca -0.07 0.45 0.19 0.00 -2.44 0.00 0.00 57.07 55.20 2be2 s TYR 405 Cb 0.08 -4.05 0.84 0.00 0.35 0.00 0.00 41.96 39.18 2be2 s TYR 405 CO 0.82 -3.95 1.57 -2.67 -1.34 0.00 0.00 175.55 169.98 2be2 n TRP 406 N 4.08 0.54 -3.94 4.97 4.27 -1.26 -4.75 117.44 121.35 2be2 n TRP 406 Ca 0.15 0.23 -0.21 0.00 -3.89 0.00 0.00 57.50 53.78 2be2 n TRP 406 Cb 0.37 -0.87 -0.03 0.00 -1.36 0.00 0.00 31.31 29.42 2be2 n TRP 406 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2be2 s GLN 407 N -3.27 3.13 -0.19 -2.67 0.74 -1.26 -5.09 119.66 111.05 2be2 s GLN 407 Ca 0.03 -0.96 -0.16 0.00 0.05 0.00 0.00 55.36 54.32 2be2 s GLN 407 Cb 0.08 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 2be2 s GLN 407 CO 0.28 0.33 0.39 0.00 -0.55 0.00 0.00 175.29 175.75 2be2 s ALA 408 N -2.10 3.55 0.30 1.58 0.00 -1.26 -5.05 121.76 118.78 2be2 s ALA 408 Ca 0.36 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.85 2be2 s ALA 408 Cb -0.08 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 2be2 s ALA 408 CO 0.28 -0.24 0.08 0.95 0.00 0.00 0.00 175.76 176.82 2be2 s THR 409 N 1.18 0.90 -0.13 0.00 -4.23 -1.26 -5.16 115.64 106.93 2be2 s THR 409 Ca 0.19 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.41 2be2 s THR 409 Cb -0.15 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 71.05 2be2 s THR 409 CO 0.08 0.00 0.71 0.86 -0.54 0.00 0.00 174.62 175.73 2be2 s TRP 410 N -3.49 -0.69 -0.02 3.99 -0.11 -1.26 -5.16 118.94 112.19 2be2 s TRP 410 Ca 0.37 1.38 -0.01 0.00 1.22 0.00 0.00 56.10 59.06 2be2 s TRP 410 Cb 0.08 0.36 0.02 0.00 -1.50 0.00 0.00 33.47 32.44 2be2 s TRP 410 CO 0.15 -0.52 0.04 0.42 -4.62 0.00 0.00 176.95 172.42 2be2 s ILE 411 N -0.64 -0.04 1.27 5.86 1.01 -1.26 -4.98 121.20 122.42 2be2 s ILE 411 Ca -0.07 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 2be2 s ILE 411 Cb -0.02 -0.09 0.32 0.00 0.01 0.00 0.00 42.46 42.69 2be2 s ILE 411 CO 0.06 0.06 0.98 -2.84 0.00 0.00 0.00 174.94 173.21 2be2 s PRO 412 N 0.73 -1.79 0.35 2.79 0.02 -1.26 -4.83 135.00 131.01 2be2 s PRO 412 Ca -0.06 0.57 -0.26 0.00 0.02 0.00 0.00 61.00 61.27 2be2 s PRO 412 Cb -0.08 -1.47 -0.13 0.00 0.02 0.00 0.00 34.50 32.84 2be2 s PRO 412 CO -0.02 -4.23 0.98 0.39 -0.33 0.00 0.00 177.00 173.78 2be2 n GLU 413 N -5.24 1.31 -4.06 5.54 -0.58 -1.26 -4.88 120.64 111.48 2be2 n GLU 413 Ca 0.06 0.46 -0.10 0.00 -0.42 0.00 0.00 57.16 57.16 2be2 n GLU 413 Cb 0.56 -1.90 -0.08 0.00 -0.57 0.00 0.00 31.44 29.45 2be2 n GLU 413 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 2be2 s TRP 414 N -1.17 0.66 -0.01 -0.32 -2.14 -1.26 -3.12 118.94 111.58 2be2 s TRP 414 Ca 0.60 -1.00 0.04 0.00 2.66 0.00 0.00 56.10 58.41 2be2 s TRP 414 Cb -0.64 -0.23 -0.01 0.00 -3.10 0.00 0.00 33.47 29.49 2be2 s TRP 414 CO 0.59 -0.69 -0.14 -2.00 -2.66 0.00 0.00 176.95 172.05 2be2 s GLU 415 N -4.03 1.11 -0.12 3.25 2.12 0.98 -4.97 118.70 117.05 2be2 s GLU 415 Ca 0.24 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 2be2 s GLU 415 Cb 0.05 -1.08 -0.01 0.00 0.26 0.00 0.00 34.13 33.34 2be2 s GLU 415 CO 0.04 0.30 1.06 0.12 -0.54 0.00 0.00 175.26 176.24 2be2 s PHE 416 N -0.34 3.39 -0.34 5.30 5.36 -1.26 -0.47 117.98 129.63 2be2 s PHE 416 Ca 0.05 1.47 -0.09 0.00 -0.96 0.00 0.00 56.93 57.41 2be2 s PHE 416 Cb -0.05 -3.26 0.02 0.00 -0.34 0.00 0.00 43.02 39.38 2be2 s PHE 416 CO -0.00 -0.55 0.14 0.08 -1.46 0.00 0.00 175.22 173.43 2be2 s VAL 417 N 2.28 4.26 -1.00 3.12 1.01 -0.20 -4.86 120.40 125.01 2be2 s VAL 417 Ca 0.50 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 2be2 s VAL 417 Cb -0.19 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 32.95 2be2 s VAL 417 CO 0.17 -0.09 1.37 0.21 0.00 0.00 0.00 175.10 176.76 2be2 s ASN 418 N 1.52 6.53 -0.34 3.32 3.04 -1.26 -4.17 114.94 123.59 2be2 s ASN 418 Ca 0.02 -1.60 0.05 0.00 0.04 0.00 0.00 52.86 51.37 2be2 s ASN 418 Cb -0.18 -2.53 0.17 0.00 -1.54 0.00 0.00 41.25 37.17 2be2 s ASN 418 CO 0.05 -1.40 0.50 0.42 -3.04 0.00 0.00 177.10 173.62 2be2 s THR 419 N 4.42 -0.74 0.91 -5.21 -4.23 -1.26 -5.15 115.64 104.38 2be2 s THR 419 Ca 0.43 -0.30 -0.15 0.00 -1.18 0.00 0.00 61.69 60.49 2be2 s THR 419 Cb -0.01 -0.67 -0.05 0.00 1.34 0.00 0.00 72.50 73.10 2be2 s THR 419 CO -0.10 -0.21 -0.06 -0.81 -0.54 0.00 0.00 174.62 172.90 2be2 n PRO 420 N 4.90 -0.09 -2.58 3.99 -0.04 -1.26 -4.49 135.00 135.43 2be2 n PRO 420 Ca 0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 2be2 n PRO 420 Cb 0.51 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 2be2 n PRO 420 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2be2 s PRO 421 N -2.76 4.57 0.19 0.54 0.04 -1.26 -5.03 135.00 131.28 2be2 s PRO 421 Ca 0.52 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 63.02 2be2 s PRO 421 Cb -0.23 -3.35 -0.07 0.00 0.04 0.00 0.00 34.50 30.88 2be2 s PRO 421 CO 0.72 -0.00 0.60 -0.51 0.04 0.00 0.00 177.00 177.85 2be2 s LEU 422 N 0.34 4.29 0.30 -3.56 1.02 -1.26 -4.60 118.68 115.20 2be2 s LEU 422 Ca 0.52 1.14 -0.29 0.00 0.02 0.00 0.00 54.13 55.52 2be2 s LEU 422 Cb -0.26 -3.46 -0.10 0.00 0.02 0.00 0.00 46.19 42.39 2be2 s LEU 422 CO 0.31 0.04 1.14 -0.69 0.02 0.00 0.00 176.35 177.17 2be2 s VAL 423 N -1.57 3.32 0.24 -1.59 1.01 0.39 -5.00 120.40 117.19 2be2 s VAL 423 Ca 0.42 1.32 -0.22 0.00 0.00 0.00 0.00 61.98 63.50 2be2 s VAL 423 Cb -0.14 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.44 2be2 s VAL 423 CO 0.20 0.30 0.69 -1.59 0.00 0.00 0.00 175.10 174.70 2be2 s LYS 424 N -1.58 1.61 -0.26 2.72 -2.85 -1.26 -4.63 119.74 113.49 2be2 s LYS 424 Ca 0.46 -0.82 -0.17 0.00 -1.00 0.00 0.00 55.97 54.45 2be2 s LYS 424 Cb -0.33 0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 36.00 2be2 s LYS 424 CO 0.43 -0.73 0.46 -0.51 0.10 0.00 0.00 175.35 175.10 2be2 s LEU 425 N -2.86 4.05 0.22 2.77 1.43 -1.26 -4.82 118.68 118.21 2be2 s LEU 425 Ca 0.08 0.44 0.26 0.00 -1.03 0.00 0.00 54.13 53.87 2be2 s LEU 425 Cb -0.04 -2.57 0.69 0.00 0.03 0.00 0.00 46.19 44.30 2be2 s LEU 425 CO 0.01 -0.24 1.69 -0.50 0.23 0.00 0.00 176.35 177.54 2be2 h TRP 426 N 8.03 0.00 -1.66 0.29 4.06 -1.97 -3.46 115.95 121.23 2be2 h TRP 426 Ca -0.30 0.00 0.05 0.00 2.06 0.00 0.00 58.89 60.69 2be2 h TRP 426 Cb 1.15 0.00 -0.22 0.00 -1.00 0.00 0.00 29.16 29.08 2be2 h TRP 426 CO 0.75 0.00 0.45 1.52 -3.56 0.00 0.00 178.44 177.61 2be2 s TYR 427 N -3.12 -0.45 -0.02 0.49 -0.85 -1.26 -4.70 117.35 107.43 2be2 s TYR 427 Ca 0.10 0.82 0.04 0.00 -0.52 0.00 0.00 57.07 57.51 2be2 s TYR 427 Cb 0.12 0.43 -0.01 0.00 0.38 0.00 0.00 41.96 42.88 2be2 s TYR 427 CO 0.62 -0.38 -0.14 -0.65 -1.52 0.00 0.00 175.55 173.48 2be2 s GLN 428 N -0.93 1.27 0.27 -3.49 -0.21 -1.26 -5.03 119.66 110.27 2be2 s GLN 428 Ca -0.03 -0.49 -0.18 0.00 0.02 0.00 0.00 55.36 54.68 2be2 s GLN 428 Cb -0.01 -1.18 -0.09 0.00 1.00 0.00 0.00 33.01 32.73 2be2 s GLN 428 CO 0.02 0.25 0.74 -0.51 -2.12 0.00 0.00 175.29 173.68 2be2 s LEU 429 N -0.14 4.22 0.83 2.90 1.43 -1.26 -4.69 118.68 121.97 2be2 s LEU 429 Ca 0.02 1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 2be2 s LEU 429 Cb -0.08 -3.82 0.10 0.00 0.03 0.00 0.00 46.19 42.42 2be2 s LEU 429 CO 0.00 -0.07 1.16 -1.61 0.23 0.00 0.00 176.35 176.06 2be2 s GLU 430 N -2.41 1.59 0.00 1.70 0.41 -0.12 -4.93 118.70 114.95 2be2 s GLU 430 Ca 0.48 1.57 0.15 0.00 -0.41 0.00 0.00 54.97 56.77 2be2 s GLU 430 Cb -0.14 -1.79 0.10 0.00 -1.78 0.00 0.00 34.13 30.53 2be2 s GLU 430 CO 0.19 -2.21 0.96 1.63 -0.49 0.00 0.00 175.26 175.35 2be2 n LYS 431 N -3.60 1.26 -3.89 1.61 5.02 -1.26 -4.76 118.16 112.54 2be2 n LYS 431 Ca 0.12 -1.33 -0.10 0.00 -2.02 0.00 0.00 58.31 54.99 2be2 n LYS 431 Cb 0.52 -1.29 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 2be2 n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2be2 s GLU 432 N -1.37 0.66 0.52 1.97 0.41 -1.26 -5.14 118.70 114.49 2be2 s GLU 432 Ca 0.17 -0.73 -0.21 0.00 -0.41 0.00 0.00 54.97 53.79 2be2 s GLU 432 Cb 0.13 0.27 -0.06 0.00 -1.78 0.00 0.00 34.13 32.69 2be2 s GLU 432 CO 0.22 -0.18 1.23 -1.25 -0.49 0.00 0.00 175.26 174.79 2be2 s PRO 433 N -2.75 3.38 0.30 0.39 0.04 -1.26 -4.83 135.00 130.28 2be2 s PRO 433 Ca -0.04 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 2be2 s PRO 433 Cb -0.00 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 2be2 s PRO 433 CO -0.05 -0.90 0.68 0.42 0.04 0.00 0.00 177.00 177.19 2be2 s ILE 434 N -1.50 4.78 -0.12 0.56 1.01 -1.26 -5.05 121.20 119.62 2be2 s ILE 434 Ca 0.70 0.74 -0.12 0.00 0.00 0.00 0.00 60.65 61.96 2be2 s ILE 434 Cb -0.32 -3.63 -0.26 0.00 0.01 0.00 0.00 42.46 38.26 2be2 s ILE 434 CO 0.37 -0.19 0.44 0.58 0.00 0.00 0.00 174.94 176.14 2be2 h VAL 435 N 1.85 0.84 -0.91 2.92 2.07 -2.01 -3.36 116.25 117.64 2be2 h VAL 435 Ca -0.47 -2.36 -0.60 0.00 0.82 0.00 0.00 66.70 64.08 2be2 h VAL 435 Cb 1.17 2.56 -0.31 0.00 -1.52 0.00 0.00 31.29 33.20 2be2 h VAL 435 CO 0.66 0.75 0.49 0.61 0.02 0.00 0.00 177.57 180.10 2be2 n GLY 436 N 1.81 5.73 3.40 2.17 0.00 -1.26 -4.93 105.19 112.11 2be2 n GLY 436 Ca -0.29 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.26 2be2 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2be2 s ALA 437 N -3.68 2.71 0.37 4.61 0.00 -1.26 -5.04 121.76 119.47 2be2 s ALA 437 Ca 0.60 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 2be2 s ALA 437 Cb 0.48 -1.31 -0.11 0.00 0.00 0.00 0.00 23.12 22.18 2be2 s ALA 437 CO 0.01 0.21 1.49 -1.91 0.00 0.00 0.00 175.76 175.56 2be2 n GLU 438 N 3.58 2.66 -3.66 0.00 2.13 -1.26 -4.64 120.64 119.44 2be2 n GLU 438 Ca -0.18 0.93 -0.37 0.00 0.66 0.00 0.00 57.16 58.20 2be2 n GLU 438 Cb 0.53 -2.66 -0.12 0.00 0.27 0.00 0.00 31.44 29.46 2be2 n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2be2 s THR 439 N -1.06 4.88 -0.22 6.31 2.01 -1.26 -2.35 115.64 123.96 2be2 s THR 439 Ca 0.54 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.47 2be2 s THR 439 Cb -0.48 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2be2 s THR 439 CO 0.63 0.29 0.11 -0.36 -0.69 0.00 0.00 174.62 174.60 2be2 s PHE 440 N 1.68 3.25 -0.38 4.92 0.40 -0.03 -2.52 117.98 125.30 2be2 s PHE 440 Ca 0.07 0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.33 2be2 s PHE 440 Cb -0.16 -2.20 0.01 0.00 0.51 0.00 0.00 43.02 41.19 2be2 s PHE 440 CO 0.08 0.02 0.25 0.71 0.70 0.00 0.00 175.22 176.98 2be2 s TYR 441 N 0.92 3.23 0.22 0.36 1.51 -0.07 -0.57 117.35 122.95 2be2 s TYR 441 Ca 0.06 -0.66 0.07 0.00 -1.01 0.00 0.00 57.07 55.53 2be2 s TYR 441 Cb -0.13 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 2be2 s TYR 441 CO 0.03 -0.56 0.12 0.14 -1.11 0.00 0.00 175.55 174.16 2be2 s VAL 442 N 1.64 4.19 -0.11 0.71 -7.23 -0.76 -1.65 120.40 117.19 2be2 s VAL 442 Ca 0.04 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 2be2 s VAL 442 Cb -0.19 -3.21 0.10 0.00 0.56 0.00 0.00 36.38 33.64 2be2 s VAL 442 CO 0.09 -0.25 0.82 -0.62 -0.31 0.00 0.00 175.10 174.83 2be2 s ASP 443 N -3.48 -0.53 0.02 4.85 2.15 -0.96 -4.50 116.67 114.22 2be2 s ASP 443 Ca 0.31 0.60 0.01 0.00 0.43 0.00 0.00 52.55 53.90 2be2 s ASP 443 Cb -0.08 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 42.98 2be2 s ASP 443 CO 0.23 -0.48 -0.04 -0.83 -0.17 0.00 0.00 175.17 173.88 2be2 s GLY 444 N -1.09 0.29 -0.03 2.66 0.00 -1.26 -1.57 107.32 106.31 2be2 s GLY 444 Ca -0.07 -0.57 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 2be2 s GLY 444 CO 0.06 -0.62 0.28 0.00 0.00 0.00 0.00 173.10 172.82 2be2 s ALA 445 N -1.24 -0.70 0.02 3.20 0.00 -0.57 -4.54 121.76 117.93 2be2 s ALA 445 Ca -0.12 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 2be2 s ALA 445 Cb -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2be2 s ALA 445 CO -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 175.76 175.52 2be2 s ALA 446 N -1.01 0.05 -0.23 0.00 0.00 -1.26 -0.99 121.76 118.32 2be2 s ALA 446 Ca -0.11 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 2be2 s ALA 446 Cb -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2be2 s ALA 446 CO 0.03 -0.16 0.74 1.21 0.00 0.00 0.00 175.76 177.58 2be2 s ASN 447 N -1.37 6.75 0.18 0.00 3.84 0.14 -4.75 114.94 119.73 2be2 s ASN 447 Ca -0.15 0.93 0.19 0.00 0.21 0.00 0.00 52.86 54.04 2be2 s ASN 447 Cb -0.09 -2.40 0.85 0.00 -0.55 0.00 0.00 41.25 39.06 2be2 s ASN 447 CO -0.01 -0.42 1.59 0.54 -2.79 0.00 0.00 177.10 176.01 2be2 n ARG 448 N 5.68 0.12 -0.04 0.43 5.12 -1.26 0.18 116.66 126.89 2be2 n ARG 448 Ca 0.03 0.41 -0.09 0.00 -1.93 0.00 0.00 57.85 56.27 2be2 n ARG 448 Cb 0.48 -1.76 -0.03 0.00 -1.16 0.00 0.00 32.46 29.99 2be2 n ARG 448 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2be2 n GLU 449 N -2.00 0.28 0.19 5.56 4.07 -1.26 -4.66 120.64 122.82 2be2 n GLU 449 Ca 0.02 0.12 0.13 0.00 -0.06 0.00 0.00 57.16 57.37 2be2 n GLU 449 Cb 0.17 -0.98 0.38 0.00 -0.06 0.00 0.00 31.44 30.94 2be2 n GLU 449 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 2be2 h THR 450 N -0.51 0.00 -2.63 6.31 1.35 -1.98 -3.47 112.91 111.99 2be2 h THR 450 Ca -0.14 -0.68 -0.35 0.00 -0.55 0.00 0.00 66.41 64.69 2be2 h THR 450 Cb 0.82 1.65 -0.06 0.00 -1.73 0.00 0.00 68.15 68.83 2be2 h THR 450 CO -0.08 0.00 -0.41 0.29 -0.25 0.00 0.00 175.52 175.07 2be2 n LYS 451 N -2.80 -1.73 -3.81 4.72 5.02 0.47 -4.71 118.16 115.31 2be2 n LYS 451 Ca 0.03 0.91 -0.30 0.00 -2.02 0.00 0.00 58.31 56.93 2be2 n LYS 451 Cb 0.42 -5.45 -0.04 0.00 -0.02 0.00 0.00 35.03 29.95 2be2 n LYS 451 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2be2 s LEU 452 N -5.37 4.31 0.00 -0.35 1.43 -1.24 -0.31 118.68 117.15 2be2 s LEU 452 Ca 0.00 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2be2 s LEU 452 Cb 0.00 -3.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.12 2be2 s LEU 452 CO 0.00 0.09 0.07 0.61 0.23 0.00 0.00 176.35 177.35 2be2 n GLY 453 N -0.00 3.42 3.18 -3.19 0.00 0.22 -0.69 105.19 108.14 2be2 n GLY 453 Ca -0.04 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 2be2 n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2be2 s LYS 454 N -2.21 0.67 -0.13 1.61 1.02 -0.17 -1.29 119.74 119.24 2be2 s LYS 454 Ca 0.07 -0.54 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 2be2 s LYS 454 Cb 0.00 0.28 0.04 0.00 -0.52 0.00 0.00 37.83 37.64 2be2 s LYS 454 CO 0.05 -0.19 0.34 0.00 -0.92 0.00 0.00 175.35 174.63 2be2 s ALA 455 N -2.28 -0.84 0.05 5.17 0.00 -0.75 -1.51 121.76 121.59 2be2 s ALA 455 Ca -0.07 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 2be2 s ALA 455 Cb -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.43 2be2 s ALA 455 CO -0.02 -0.20 0.16 0.41 0.00 0.00 0.00 175.76 176.10 2be2 n GLY 456 N 3.58 1.50 3.52 0.00 0.00 -0.61 0.21 105.19 113.40 2be2 n GLY 456 Ca -0.19 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 2be2 n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2be2 s TYR 457 N -6.60 -0.46 -0.03 1.61 1.13 -0.35 -2.25 117.35 110.40 2be2 s TYR 457 Ca 0.03 0.20 0.00 0.00 -1.41 0.00 0.00 57.07 55.89 2be2 s TYR 457 Cb -0.01 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.48 2be2 s TYR 457 CO 0.01 -0.93 0.02 0.08 -2.51 0.00 0.00 175.55 172.22 2be2 s VAL 458 N -3.78 0.03 0.37 -3.49 1.01 -0.66 -1.50 120.40 112.38 2be2 s VAL 458 Ca 0.03 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.28 2be2 s VAL 458 Cb -0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 2be2 s VAL 458 CO -0.09 0.12 0.10 0.42 0.00 0.00 0.00 175.10 175.65 2be2 s THR 459 N 1.14 2.54 0.32 3.92 -4.23 0.16 -0.89 115.64 118.59 2be2 s THR 459 Ca -0.08 -1.82 0.17 0.00 -1.18 0.00 0.00 61.69 58.78 2be2 s THR 459 Cb -0.13 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 70.93 2be2 s THR 459 CO -0.03 -0.11 1.84 -0.55 -0.54 0.00 0.00 174.62 175.23 2be2 h ASN 460 N 1.62 0.00 0.00 3.99 -0.00 -1.82 -1.85 115.58 117.52 2be2 h ASN 460 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.87 2be2 h ASN 460 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.57 2be2 h ASN 460 CO 0.68 0.33 0.00 0.29 -0.00 0.00 0.00 177.43 178.74 2be2 n LYS 461 N -3.84 0.67 -0.33 4.14 5.02 -1.26 -4.86 118.16 117.70 2be2 n LYS 461 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2be2 n LYS 461 Cb 0.41 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2be2 n LYS 461 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2be2 n GLY 462 N 0.32 0.67 3.78 0.72 0.00 -0.69 -5.07 105.19 104.92 2be2 n GLY 462 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2be2 n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2be2 s ARG 463 N -0.67 4.58 0.04 1.61 0.52 -1.26 -4.85 118.95 118.92 2be2 s ARG 463 Ca 0.00 1.25 0.02 0.00 -0.52 0.00 0.00 55.73 56.48 2be2 s ARG 463 Cb 0.00 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 2be2 s ARG 463 CO 0.00 0.39 -0.07 -0.65 0.02 0.00 0.00 175.30 174.99 2be2 s GLN 464 N -1.74 0.53 -0.19 3.54 -0.21 -1.26 -0.66 119.66 119.66 2be2 s GLN 464 Ca 0.45 -0.81 -0.27 0.00 0.02 0.00 0.00 55.36 54.75 2be2 s GLN 464 Cb -0.20 -0.20 0.08 0.00 1.00 0.00 0.00 33.01 33.69 2be2 s GLN 464 CO 0.25 0.02 0.77 0.21 -2.12 0.00 0.00 175.29 174.43 2be2 s LYS 465 N -1.86 0.85 -0.01 2.91 2.20 -0.56 -4.97 119.74 118.29 2be2 s LYS 465 Ca -0.08 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2be2 s LYS 465 Cb -0.08 0.41 0.01 0.00 -1.51 0.00 0.00 37.83 36.65 2be2 s LYS 465 CO -0.01 -0.18 -0.01 0.08 -0.36 0.00 0.00 175.35 174.88 2be2 s VAL 466 N -0.27 0.12 -0.08 4.02 1.01 -1.26 -1.21 120.40 122.73 2be2 s VAL 466 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2be2 s VAL 466 Cb -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.23 2be2 s VAL 466 CO 0.03 0.06 -0.14 -0.69 0.00 0.00 0.00 175.10 174.36 2be2 s VAL 467 N 0.20 1.28 0.30 2.92 1.01 0.13 -4.97 120.40 121.29 2be2 s VAL 467 Ca -0.02 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2be2 s VAL 467 Cb -0.04 -1.17 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 2be2 s VAL 467 CO -0.01 0.39 1.13 -2.16 0.00 0.00 0.00 175.10 174.45 2be2 s PRO 468 N 0.73 4.53 0.09 2.72 0.04 -1.26 -1.81 135.00 140.04 2be2 s PRO 468 Ca -0.13 1.84 0.06 0.00 0.04 0.00 0.00 61.00 62.81 2be2 s PRO 468 Cb -0.16 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2be2 s PRO 468 CO 0.03 0.10 -0.15 -0.51 0.04 0.00 0.00 177.00 176.51 2be2 s LEU 469 N -1.65 2.32 0.16 -3.56 1.43 -0.41 -4.94 118.68 112.02 2be2 s LEU 469 Ca 0.47 -0.68 0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2be2 s LEU 469 Cb -0.32 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2be2 s LEU 469 CO 0.41 -0.08 -0.25 -0.89 0.23 0.00 0.00 176.35 175.78 2be2 s THR 470 N -1.52 2.22 -0.43 5.49 2.01 -1.26 -0.61 115.64 121.54 2be2 s THR 470 Ca 0.02 -1.86 -0.23 0.00 0.31 0.00 0.00 61.69 59.94 2be2 s THR 470 Cb -0.08 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.46 2be2 s THR 470 CO 0.03 -0.03 0.51 -3.20 -0.69 0.00 0.00 174.62 171.24 2be2 n ASN 471 N 0.63 -4.13 -3.38 3.53 5.15 -0.40 -4.90 115.26 111.77 2be2 n ASN 471 Ca -0.16 -0.31 -0.15 0.00 -0.60 0.00 0.00 54.58 53.37 2be2 n ASN 471 Cb 0.54 -1.24 -0.05 0.00 -0.53 0.00 0.00 39.78 38.50 2be2 n ASN 471 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2be2 s THR 472 N -1.58 0.00 0.30 -0.44 -1.32 0.57 -5.02 115.64 108.15 2be2 s THR 472 Ca 0.22 -1.67 0.05 0.00 -1.21 0.00 0.00 61.69 59.09 2be2 s THR 472 Cb -0.02 -2.58 -0.06 0.00 -1.51 0.00 0.00 72.50 68.33 2be2 s THR 472 CO 0.69 0.00 -0.00 0.42 -2.21 0.00 0.00 174.62 173.52 2be2 s THR 473 N -3.25 1.46 0.12 5.08 -4.23 -1.26 -4.60 115.64 108.95 2be2 s THR 473 Ca 0.32 -2.06 -0.26 0.00 -1.18 0.00 0.00 61.69 58.51 2be2 s THR 473 Cb 0.00 -2.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 2be2 s THR 473 CO 0.20 -0.17 1.63 -1.13 -0.54 0.00 0.00 174.62 174.62 2be2 h ASN 474 N 2.19 -0.77 -0.69 3.99 -1.24 -1.91 -0.53 115.58 116.61 2be2 h ASN 474 Ca -0.40 0.10 0.02 0.00 0.71 0.00 0.00 56.30 56.72 2be2 h ASN 474 Cb 1.24 0.31 -0.04 0.00 0.73 0.00 0.00 38.32 40.56 2be2 h ASN 474 CO 0.69 -0.34 0.46 1.56 -1.29 0.00 0.00 177.43 178.51 2be2 h GLN 475 N -0.42 0.87 -0.37 6.67 4.20 -1.96 -2.20 115.11 121.89 2be2 h GLN 475 Ca 0.05 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2be2 h GLN 475 Cb 0.49 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2be2 h GLN 475 CO -0.21 0.57 -0.16 -0.22 -0.67 0.00 0.00 178.83 178.15 2be2 h LYS 476 N 0.89 0.69 -0.02 1.46 1.63 -1.72 -2.75 116.57 116.75 2be2 h LYS 476 Ca 0.27 -0.24 -0.15 0.00 -0.85 0.00 0.00 60.65 59.68 2be2 h LYS 476 Cb -0.03 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2be2 h LYS 476 CO -0.07 0.81 -0.67 1.79 -3.45 0.00 0.00 179.45 177.86 2be2 h THR 477 N 0.62 1.46 -0.43 1.00 1.35 -0.58 -2.15 112.91 114.17 2be2 h THR 477 Ca 0.10 -2.24 -0.02 0.00 -0.55 0.00 0.00 66.41 63.70 2be2 h THR 477 Cb 0.62 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 2be2 h THR 477 CO 0.04 0.65 0.21 -0.08 -0.25 0.00 0.00 175.52 176.09 2be2 h GLU 478 N 0.06 0.62 -0.24 4.72 4.57 -1.17 0.61 114.58 123.75 2be2 h GLU 478 Ca -0.01 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 2be2 h GLU 478 Cb 1.20 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 2be2 h GLU 478 CO 0.09 0.53 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.12 2be2 h LEU 479 N 0.56 0.47 -0.81 1.64 3.38 -1.35 -2.95 115.31 116.24 2be2 h LEU 479 Ca 0.15 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2be2 h LEU 479 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2be2 h LEU 479 CO -0.02 0.72 -0.28 -0.61 0.09 0.00 0.00 178.44 178.34 2be2 h GLN 480 N 0.41 0.57 -0.53 1.13 5.75 -0.94 -1.36 115.11 120.13 2be2 h GLN 480 Ca 0.06 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.26 2be2 h GLN 480 Cb 0.68 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2be2 h GLN 480 CO 0.05 0.79 0.07 0.00 -2.65 0.00 0.00 178.83 177.09 2be2 h ALA 481 N 1.20 1.12 -0.21 3.38 0.00 -0.72 0.95 119.26 124.97 2be2 h ALA 481 Ca 0.06 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2be2 h ALA 481 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2be2 h ALA 481 CO 0.06 0.58 -0.10 0.82 0.00 0.00 0.00 179.25 180.60 2be2 h ILE 482 N 0.81 1.31 -0.97 0.00 2.04 -1.40 -1.35 117.51 117.94 2be2 h ILE 482 Ca 0.17 -1.17 0.08 0.00 1.00 0.00 0.00 64.86 64.93 2be2 h ILE 482 Cb 0.39 1.62 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 2be2 h ILE 482 CO 0.01 0.36 0.63 0.22 0.00 0.00 0.00 178.15 179.36 2be2 h TYR 483 N 0.15 1.14 -0.08 1.37 3.20 -0.90 -0.30 116.97 121.56 2be2 h TYR 483 Ca 0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2be2 h TYR 483 Cb 0.60 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2be2 h TYR 483 CO 0.06 0.57 0.04 1.25 -1.64 0.00 0.00 178.16 178.44 2be2 h LEU 484 N 1.09 0.10 -0.40 2.82 5.85 -0.52 -1.63 115.31 122.62 2be2 h LEU 484 Ca 0.43 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.10 2be2 h LEU 484 Cb 0.24 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2be2 h LEU 484 CO -0.18 0.14 0.22 0.00 -0.34 0.00 0.00 178.44 178.29 2be2 h ALA 485 N 0.96 0.51 -0.85 1.25 0.00 -0.22 -1.71 119.26 119.19 2be2 h ALA 485 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2be2 h ALA 485 Cb 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2be2 h ALA 485 CO -0.00 -0.12 0.55 -0.07 0.00 0.00 0.00 179.25 179.61 2be2 h LEU 486 N 0.45 0.85 -0.64 0.00 3.38 -0.90 -2.18 115.31 116.27 2be2 h LEU 486 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2be2 h LEU 486 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2be2 h LEU 486 CO -0.10 0.56 -0.30 1.56 0.09 0.00 0.00 178.44 180.26 2be2 h GLN 487 N 0.98 0.75 -0.03 1.13 4.20 -0.44 -3.19 115.11 118.50 2be2 h GLN 487 Ca 0.36 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2be2 h GLN 487 Cb 0.15 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2be2 h GLN 487 CO -0.12 0.95 0.00 -0.25 -0.67 0.00 0.00 178.83 178.74 2be2 n ASP 488 N -4.08 1.59 -4.99 1.46 9.92 -0.78 -4.95 116.55 114.72 2be2 n ASP 488 Ca -0.01 -1.54 -0.19 0.00 -0.53 0.00 0.00 54.79 52.52 2be2 n ASP 488 Cb 0.47 -0.01 0.04 0.00 -0.64 0.00 0.00 41.12 40.98 2be2 n ASP 488 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2be2 s SER 489 N -1.96 5.30 0.63 -2.24 1.04 -0.85 -5.08 113.70 110.54 2be2 s SER 489 Ca 0.37 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2be2 s SER 489 Cb 0.21 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2be2 s SER 489 CO 0.33 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2be2 n GLY 490 N -2.13 -0.37 0.01 7.32 0.00 -1.26 -4.91 105.19 103.85 2be2 n GLY 490 Ca 0.12 -1.77 0.04 0.00 0.00 0.00 0.00 46.02 44.41 2be2 n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2be2 n LEU 491 N 0.00 0.04 -3.82 0.99 4.77 -1.26 -4.50 117.00 113.22 2be2 n LEU 491 Ca 0.00 0.51 -0.18 0.00 -0.03 0.00 0.00 56.01 56.32 2be2 n LEU 491 Cb 0.00 -0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.41 2be2 n LEU 491 CO 0.00 -0.40 -0.38 -1.61 -1.33 0.00 0.00 177.39 173.67 2be2 s GLU 492 N -3.03 0.39 -0.08 3.23 2.02 -1.26 0.89 118.70 120.86 2be2 s GLU 492 Ca 0.03 0.06 -0.18 0.00 0.02 0.00 0.00 54.97 54.90 2be2 s GLU 492 Cb 0.05 -0.56 0.04 0.00 0.10 0.00 0.00 34.13 33.75 2be2 s GLU 492 CO 0.14 -0.14 0.43 0.54 0.02 0.00 0.00 175.26 176.26 2be2 s VAL 493 N 1.08 0.02 -0.17 2.63 0.11 -0.45 -4.35 120.40 119.27 2be2 s VAL 493 Ca -0.09 -0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 58.69 2be2 s VAL 493 Cb -0.14 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2be2 s VAL 493 CO -0.02 -0.11 0.04 0.20 -3.33 0.00 0.00 175.10 171.88 2be2 s ASN 494 N -0.70 5.42 -0.06 3.54 0.01 -0.99 -1.59 114.94 120.57 2be2 s ASN 494 Ca -0.08 0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.13 2be2 s ASN 494 Cb -0.03 -1.92 0.00 0.00 0.41 0.00 0.00 41.25 39.71 2be2 s ASN 494 CO 0.04 0.17 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.01 2be2 s ILE 495 N 0.36 1.43 -0.19 0.60 1.01 0.15 -0.85 121.20 123.71 2be2 s ILE 495 Ca 0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2be2 s ILE 495 Cb -0.13 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.09 2be2 s ILE 495 CO 0.01 0.42 -0.14 -0.69 0.00 0.00 0.00 174.94 174.53 2be2 s VAL 496 N 0.33 2.57 0.26 2.92 1.01 0.27 0.80 120.40 128.56 2be2 s VAL 496 Ca -0.11 -0.77 0.11 0.00 0.00 0.00 0.00 61.98 61.22 2be2 s VAL 496 Cb -0.14 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2be2 s VAL 496 CO 0.04 0.50 -0.20 0.28 0.00 0.00 0.00 175.10 175.72 2be2 s THR 497 N 1.30 2.36 -1.23 3.92 -1.32 0.13 -1.83 115.64 118.98 2be2 s THR 497 Ca 0.04 -2.35 0.13 0.00 -1.21 0.00 0.00 61.69 58.31 2be2 s THR 497 Cb -0.14 -2.25 0.35 0.00 -1.51 0.00 0.00 72.50 68.95 2be2 s THR 497 CO -0.08 -0.40 1.27 -0.90 -2.21 0.00 0.00 174.62 172.30 2be2 n ASP 498 N -0.51 3.03 -4.42 8.08 5.68 -1.26 -1.45 116.55 125.71 2be2 n ASP 498 Ca -0.06 -1.95 -0.44 0.00 -0.50 0.00 0.00 54.79 51.84 2be2 n ASP 498 Cb 0.60 -0.25 -0.07 0.00 -1.14 0.00 0.00 41.12 40.25 2be2 n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2be2 s SER 499 N -1.02 6.17 0.34 -1.12 0.15 -1.26 -4.56 113.70 112.40 2be2 s SER 499 Ca 0.27 -1.13 0.03 0.00 0.70 0.00 0.00 55.95 55.83 2be2 s SER 499 Cb 0.15 -2.21 0.62 0.00 -1.71 0.00 0.00 66.02 62.86 2be2 s SER 499 CO 0.19 -0.70 1.94 1.56 1.20 0.00 0.00 173.24 177.44 2be2 h GLN 500 N 8.81 0.69 0.32 5.44 4.20 -1.96 -1.00 115.11 131.61 2be2 h GLN 500 Ca -0.28 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 2be2 h GLN 500 Cb 1.11 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 2be2 h GLN 500 CO 0.88 0.56 -0.29 -0.92 -0.67 0.00 0.00 178.83 178.40 2be2 h TYR 501 N 0.68 -0.77 -0.06 2.96 3.20 -1.99 0.28 116.97 121.28 2be2 h TYR 501 Ca 0.17 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2be2 h TYR 501 Cb 0.12 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2be2 h TYR 501 CO 0.01 -0.42 -0.26 0.00 -1.64 0.00 0.00 178.16 175.85 2be2 h ALA 502 N -0.06 1.47 0.37 1.82 0.00 -1.86 -2.43 119.26 118.58 2be2 h ALA 502 Ca -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2be2 h ALA 502 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2be2 h ALA 502 CO -0.04 0.39 -0.18 1.25 0.00 0.00 0.00 179.25 180.67 2be2 h LEU 503 N 0.09 -0.43 -1.15 0.00 5.85 -0.61 -2.66 115.31 116.41 2be2 h LEU 503 Ca 0.01 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.79 2be2 h LEU 503 Cb 0.51 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 2be2 h LEU 503 CO 0.04 -0.20 0.60 1.23 -0.34 0.00 0.00 178.44 179.76 2be2 h GLY 504 N -0.64 1.40 0.64 3.75 0.00 -0.25 0.25 103.07 108.22 2be2 h GLY 504 Ca -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2be2 h GLY 504 CO 0.08 0.16 -0.08 -2.22 0.00 0.00 0.00 176.54 174.49 2be2 h ILE 505 N 0.88 0.98 -0.34 2.60 2.04 -1.35 -3.05 117.51 119.26 2be2 h ILE 505 Ca 0.45 -0.74 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 2be2 h ILE 505 Cb 0.52 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2be2 h ILE 505 CO -0.22 0.17 -0.29 0.40 0.00 0.00 0.00 178.15 178.21 2be2 h ILE 506 N -0.57 1.29 0.00 -0.67 2.04 -1.21 -2.78 117.51 115.61 2be2 h ILE 506 Ca -0.02 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.39 2be2 h ILE 506 Cb 0.44 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2be2 h ILE 506 CO 0.04 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.66 2be2 n GLN 507 N -4.20 0.06 -0.04 2.37 6.02 0.85 -0.04 117.38 122.39 2be2 n GLN 507 Ca -0.03 0.49 0.12 0.00 -0.01 0.00 0.00 57.00 57.57 2be2 n GLN 507 Cb 0.48 -1.67 0.46 0.00 1.02 0.00 0.00 30.24 30.53 2be2 n GLN 507 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2be2 n ALA 508 N -1.61 2.55 -3.57 -1.58 0.00 -1.05 -4.98 120.51 110.28 2be2 n ALA 508 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 2be2 n ALA 508 Cb 0.06 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.39 2be2 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2be2 n GLN 509 N 0.15 -1.76 -3.65 0.00 6.02 0.94 -4.91 117.38 114.18 2be2 n GLN 509 Ca 0.17 1.18 -0.34 0.00 -0.01 0.00 0.00 57.00 58.00 2be2 n GLN 509 Cb 0.31 -2.56 -0.05 0.00 1.02 0.00 0.00 30.24 28.96 2be2 n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2be2 s PRO 510 N -3.59 3.68 0.00 -1.09 0.04 -1.26 -4.63 135.00 128.15 2be2 s PRO 510 Ca 0.19 0.06 0.12 0.00 0.04 0.00 0.00 61.00 61.40 2be2 s PRO 510 Cb -0.02 -3.00 0.15 0.00 0.04 0.00 0.00 34.50 31.66 2be2 s PRO 510 CO 0.87 0.58 0.97 -0.40 0.04 0.00 0.00 177.00 179.06 2be2 n ASP 511 N 0.86 2.23 -3.59 6.66 5.68 -0.14 -4.92 116.55 123.33 2be2 n ASP 511 Ca -0.08 -1.61 -0.15 0.00 -0.50 0.00 0.00 54.79 52.44 2be2 n ASP 511 Cb 0.52 -0.06 -0.07 0.00 -1.14 0.00 0.00 41.12 40.38 2be2 n ASP 511 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2be2 s LYS 512 N -0.99 0.91 0.06 0.11 -2.85 -1.15 -5.04 119.74 110.79 2be2 s LYS 512 Ca 0.16 0.72 -0.07 0.00 -1.00 0.00 0.00 55.97 55.78 2be2 s LYS 512 Cb 0.11 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.31 2be2 s LYS 512 CO 0.15 -0.18 0.15 0.45 0.10 0.00 0.00 175.35 176.02 2be2 s SER 513 N -0.20 0.14 0.00 0.03 0.15 -1.26 -2.23 113.70 110.33 2be2 s SER 513 Ca -0.04 -0.56 0.28 0.00 0.70 0.00 0.00 55.95 56.33 2be2 s SER 513 Cb -0.03 0.28 1.21 0.00 -1.71 0.00 0.00 66.02 65.77 2be2 s SER 513 CO 0.04 -0.61 1.91 -0.62 1.20 0.00 0.00 173.24 175.16 2be2 n GLU 514 N 0.39 0.00 -3.44 5.44 1.02 0.40 -4.71 120.64 119.74 2be2 n GLU 514 Ca -0.17 0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.61 2be2 n GLU 514 Cb 0.60 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.45 2be2 n GLU 514 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2be2 s SER 515 N -3.00 6.44 0.16 1.62 0.15 -1.26 -4.98 113.70 112.83 2be2 s SER 515 Ca 0.14 0.52 -0.14 0.00 0.70 0.00 0.00 55.95 57.16 2be2 s SER 515 Cb 0.19 -2.21 0.05 0.00 -1.71 0.00 0.00 66.02 62.33 2be2 s SER 515 CO 0.52 -0.01 1.79 1.05 1.20 0.00 0.00 173.24 177.79 2be2 h GLU 516 N 7.11 0.69 -0.74 5.44 9.09 -2.00 -1.85 114.58 132.33 2be2 h GLU 516 Ca -0.38 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 58.92 2be2 h GLU 516 Cb 1.16 -0.14 -0.03 0.00 -1.65 0.00 0.00 28.75 28.09 2be2 h GLU 516 CO 0.73 0.52 0.30 1.25 0.05 0.00 0.00 179.01 181.86 2be2 h LEU 517 N 0.68 1.01 -0.60 3.06 5.85 -1.97 -2.41 115.31 120.93 2be2 h LEU 517 Ca 0.18 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2be2 h LEU 517 Cb 0.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2be2 h LEU 517 CO -0.03 0.89 -0.32 0.58 -0.34 0.00 0.00 178.44 179.22 2be2 h VAL 518 N 1.08 1.28 -0.13 1.05 2.07 -1.89 -1.95 116.25 117.75 2be2 h VAL 518 Ca 0.25 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 2be2 h VAL 518 Cb 0.19 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2be2 h VAL 518 CO -0.02 0.48 -0.21 0.78 0.02 0.00 0.00 177.57 178.62 2be2 h ASN 519 N 0.65 0.21 -0.30 0.57 2.35 -1.02 -0.71 115.58 117.33 2be2 h ASN 519 Ca 0.07 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 2be2 h ASN 519 Cb 0.85 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 2be2 h ASN 519 CO 0.07 0.44 -0.41 1.56 -1.65 0.00 0.00 177.43 177.44 2be2 h GLN 520 N 0.20 0.80 -0.79 0.81 4.20 -1.13 -0.88 115.11 118.33 2be2 h GLN 520 Ca 0.04 -0.47 0.01 0.00 0.06 0.00 0.00 58.65 58.28 2be2 h GLN 520 Cb 0.49 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 2be2 h GLN 520 CO 0.03 1.10 0.51 0.82 -0.67 0.00 0.00 178.83 180.62 2be2 h ILE 521 N 0.57 1.21 -0.81 2.54 2.04 -1.07 -1.57 117.51 120.42 2be2 h ILE 521 Ca 0.03 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2be2 h ILE 521 Cb 1.01 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2be2 h ILE 521 CO 0.10 0.20 0.38 0.40 0.00 0.00 0.00 178.15 179.23 2be2 h ILE 522 N 1.07 1.25 -0.85 -0.67 2.04 -0.86 0.01 117.51 119.50 2be2 h ILE 522 Ca 0.29 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 2be2 h ILE 522 Cb -0.11 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 2be2 h ILE 522 CO -0.06 0.30 0.43 -0.08 0.00 0.00 0.00 178.15 178.74 2be2 h GLU 523 N 1.14 1.22 -0.40 2.37 4.57 -0.52 -2.47 114.58 120.49 2be2 h GLU 523 Ca 0.28 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 2be2 h GLU 523 Cb 0.12 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2be2 h GLU 523 CO -0.03 0.92 -0.02 1.96 -1.18 0.00 0.00 179.01 180.66 2be2 h GLN 524 N 1.21 0.72 -0.55 1.92 1.08 -0.72 -2.92 115.11 115.85 2be2 h GLN 524 Ca 0.30 -0.24 0.04 0.00 -1.45 0.00 0.00 58.65 57.30 2be2 h GLN 524 Cb 0.09 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 2be2 h GLN 524 CO -0.04 0.82 0.36 -0.07 -0.95 0.00 0.00 178.83 178.95 2be2 h LEU 525 N 0.54 0.50 -0.59 1.46 3.38 -0.70 -1.66 115.31 118.24 2be2 h LEU 525 Ca 0.11 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2be2 h LEU 525 Cb 0.51 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2be2 h LEU 525 CO 0.02 0.34 -0.50 0.40 0.09 0.00 0.00 178.44 178.80 2be2 h ILE 526 N 0.58 1.32 -0.56 1.22 2.04 -1.34 -3.15 117.51 117.63 2be2 h ILE 526 Ca 0.23 -1.72 -0.07 0.00 1.00 0.00 0.00 64.86 64.29 2be2 h ILE 526 Cb 0.17 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2be2 h ILE 526 CO -0.06 0.53 0.06 0.50 0.00 0.00 0.00 178.15 179.19 2be2 h LYS 527 N 0.42 0.94 -7.14 2.37 3.64 -1.14 -3.45 116.57 112.21 2be2 h LYS 527 Ca 0.02 -0.27 -0.55 0.00 -1.27 0.00 0.00 60.65 58.58 2be2 h LYS 527 Cb 1.02 -0.10 0.16 0.00 -0.41 0.00 0.00 32.23 32.90 2be2 h LYS 527 CO 0.09 0.92 0.46 0.15 -2.27 0.00 0.00 179.45 178.81 2be2 s LYS 528 N -5.14 2.27 -0.19 1.90 -0.14 -0.81 -4.98 119.74 112.64 2be2 s LYS 528 Ca -0.12 1.97 -0.20 0.00 -1.36 0.00 0.00 55.97 56.26 2be2 s LYS 528 Cb 0.12 -1.82 -0.17 0.00 -1.68 0.00 0.00 37.83 34.28 2be2 s LYS 528 CO 0.83 -1.79 0.19 1.49 -0.76 0.00 0.00 175.35 175.31 2be2 h GLU 529 N 0.11 0.00 -3.57 1.68 4.57 0.21 -3.47 114.58 114.09 2be2 h GLU 529 Ca -0.50 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.33 2be2 h GLU 529 Cb 1.33 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 29.56 2be2 h GLU 529 CO 0.51 0.83 -0.74 0.15 -1.18 0.00 0.00 179.01 178.57 2be2 s LYS 530 N -2.32 0.17 -0.09 1.92 1.02 -0.93 -5.02 119.74 114.49 2be2 s LYS 530 Ca -0.25 0.18 0.00 0.00 0.02 0.00 0.00 55.97 55.92 2be2 s LYS 530 Cb 0.05 -0.50 0.02 0.00 -0.52 0.00 0.00 37.83 36.88 2be2 s LYS 530 CO 0.53 -0.21 -0.07 0.08 -0.92 0.00 0.00 175.35 174.76 2be2 s VAL 531 N 1.44 0.91 -0.19 3.17 1.01 -1.26 -1.35 120.40 124.14 2be2 s VAL 531 Ca -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2be2 s VAL 531 Cb -0.13 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2be2 s VAL 531 CO -0.03 0.34 -0.14 -0.47 0.00 0.00 0.00 175.10 174.80 2be2 s TYR 532 N 1.46 2.84 -0.16 5.22 6.14 -0.62 -0.94 117.35 131.29 2be2 s TYR 532 Ca -0.01 -1.28 -0.03 0.00 0.64 0.00 0.00 57.07 56.39 2be2 s TYR 532 Cb -0.13 -1.98 -0.02 0.00 0.42 0.00 0.00 41.96 40.25 2be2 s TYR 532 CO -0.05 -0.65 -0.06 -1.17 0.64 0.00 0.00 175.55 174.26 2be2 s LEU 533 N 1.26 3.11 0.11 6.97 1.98 -1.26 0.33 118.68 131.18 2be2 s LEU 533 Ca 0.03 -0.19 0.04 0.00 -2.89 0.00 0.00 54.13 51.12 2be2 s LEU 533 Cb -0.14 -1.74 -0.04 0.00 0.66 0.00 0.00 46.19 44.93 2be2 s LEU 533 CO -0.07 0.15 -0.11 0.00 -1.89 0.00 0.00 176.35 174.43 2be2 s ALA 534 N 0.46 1.27 0.01 5.97 0.00 0.24 -4.95 121.76 124.76 2be2 s ALA 534 Ca -0.05 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2be2 s ALA 534 Cb -0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2be2 s ALA 534 CO 0.03 0.00 -0.23 -0.46 0.00 0.00 0.00 175.76 175.10 2be2 s TRP 535 N -2.44 2.41 -0.02 0.00 -0.00 -1.26 0.22 118.94 117.86 2be2 s TRP 535 Ca 0.08 -0.36 -0.02 0.00 -0.00 0.00 0.00 56.10 55.79 2be2 s TRP 535 Cb -0.03 -1.47 0.00 0.00 -0.00 0.00 0.00 33.47 31.97 2be2 s TRP 535 CO 0.01 0.09 0.06 0.14 -0.00 0.00 0.00 176.95 177.25 2be2 s VAL 536 N -0.74 0.01 -0.01 5.86 -7.23 -0.52 -4.95 120.40 112.83 2be2 s VAL 536 Ca 0.12 -0.12 -0.32 0.00 -1.81 0.00 0.00 61.98 59.84 2be2 s VAL 536 Cb -0.10 -0.13 -0.11 0.00 0.56 0.00 0.00 36.38 36.60 2be2 s VAL 536 CO 0.01 -0.07 1.90 -0.81 -0.31 0.00 0.00 175.10 175.83 2be2 n PRO 537 N 2.83 2.51 -1.89 4.82 -0.04 -1.26 -4.23 135.00 137.74 2be2 n PRO 537 Ca -0.14 0.92 -0.37 0.00 -0.04 0.00 0.00 63.50 63.87 2be2 n PRO 537 Cb 0.59 -2.81 0.04 0.00 -0.04 0.00 0.00 33.50 31.28 2be2 n PRO 537 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2be2 s ALA 538 N 3.92 2.61 -1.32 0.55 0.00 -1.26 -3.64 121.76 122.61 2be2 s ALA 538 Ca 0.89 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 54.01 2be2 s ALA 538 Cb -0.57 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2be2 s ALA 538 CO 0.46 -1.31 0.69 0.72 0.00 0.00 0.00 175.76 176.32 2be2 n HIS 539 N -1.43 -1.91 -1.38 0.00 8.25 -1.26 -4.91 115.22 112.58 2be2 n HIS 539 Ca 0.13 0.84 0.04 0.00 -0.26 0.00 0.00 57.72 58.47 2be2 n HIS 539 Cb 0.48 -4.33 0.06 0.00 1.12 0.00 0.00 29.99 27.32 2be2 n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2be2 n LYS 540 N -4.30 0.78 -1.05 -0.41 4.76 -1.24 -5.00 118.16 111.70 2be2 n LYS 540 Ca -0.29 -1.71 -0.02 0.00 -2.87 0.00 0.00 58.31 53.42 2be2 n LYS 540 Cb 0.67 -0.98 -0.01 0.00 -1.84 0.00 0.00 35.03 32.87 2be2 n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2be2 n GLY 541 N -0.68 0.46 3.63 0.72 0.00 -1.26 -4.97 105.19 103.08 2be2 n GLY 541 Ca 0.07 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2be2 n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2be2 s ILE 542 N -1.75 3.58 0.56 -0.61 1.09 -1.26 -4.88 121.20 117.93 2be2 s ILE 542 Ca 0.00 0.66 -0.20 0.00 -1.10 0.00 0.00 60.65 60.01 2be2 s ILE 542 Cb 0.00 -3.58 -0.06 0.00 -1.06 0.00 0.00 42.46 37.77 2be2 s ILE 542 CO 0.00 -0.23 1.11 0.61 -0.10 0.00 0.00 174.94 176.34 2be2 n GLY 543 N 4.68 0.08 0.00 6.18 0.00 -1.26 -1.47 105.19 113.41 2be2 n GLY 543 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2be2 n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2be2 n GLY 544 N 1.09 2.02 0.32 -0.02 0.00 -1.26 -4.66 105.19 102.67 2be2 n GLY 544 Ca 0.12 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 2be2 n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2be2 h ASN 545 N 0.00 0.91 -0.37 1.61 -1.24 -1.72 -2.52 115.58 112.25 2be2 h ASN 545 Ca 0.00 -0.17 -0.13 0.00 0.71 0.00 0.00 56.30 56.71 2be2 h ASN 545 Cb 0.00 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 2be2 h ASN 545 CO 0.00 0.87 -0.29 -0.33 -1.29 0.00 0.00 177.43 176.38 2be2 h GLU 546 N 0.94 0.85 -0.52 6.67 4.39 -1.52 -1.63 114.58 123.77 2be2 h GLU 546 Ca 0.21 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 2be2 h GLU 546 Cb 0.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2be2 h GLU 546 CO -0.01 1.06 0.30 1.96 -1.16 0.00 0.00 179.01 181.16 2be2 h GLN 547 N 0.65 0.71 -0.01 2.33 1.08 -1.80 -2.71 115.11 115.36 2be2 h GLN 547 Ca 0.07 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2be2 h GLN 547 Cb 0.87 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 2be2 h GLN 547 CO 0.08 0.53 -0.77 -0.24 -0.95 0.00 0.00 178.83 177.48 2be2 h VAL 548 N 0.69 1.51 -0.76 -0.54 3.04 -1.44 -3.00 116.25 115.76 2be2 h VAL 548 Ca 0.18 -2.53 -0.02 0.00 -1.01 0.00 0.00 66.70 63.32 2be2 h VAL 548 Cb 0.02 2.37 -0.04 0.00 -2.01 0.00 0.00 31.29 31.63 2be2 h VAL 548 CO -0.03 0.73 0.38 -0.78 -1.01 0.00 0.00 177.57 176.86 2be2 h ASP 549 N 0.05 0.97 0.81 3.17 3.58 -1.08 -2.29 116.42 121.63 2be2 h ASP 549 Ca -0.02 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.20 2be2 h ASP 549 Cb 1.36 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 2be2 h ASP 549 CO 0.11 0.80 -0.62 0.50 -2.88 0.00 0.00 179.24 177.15 2be2 h LYS 550 N 1.07 0.00 -0.20 0.28 1.63 -1.48 -3.25 116.57 114.61 2be2 h LYS 550 Ca 0.26 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.04 2be2 h LYS 550 Cb 0.08 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2be2 h LYS 550 CO -0.04 0.62 0.03 -0.07 -3.45 0.00 0.00 179.45 176.54 2be2 h LEU 551 N 0.00 0.32 -0.93 5.20 3.38 -1.28 -3.52 115.31 118.48 2be2 h LEU 551 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2be2 h LEU 551 Cb 1.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2be2 h LEU 551 CO 0.08 0.49 0.00 0.52 0.09 0.00 0.00 178.44 179.62