#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs3 s LYS 2 N 0.00 3.98 -0.02 2.12 3.01 -1.26 -5.08 119.74 122.49 2bs3 s LYS 2 Ca 0.00 -0.32 0.02 0.00 -1.01 0.00 0.00 55.97 54.66 2bs3 s LYS 2 Cb 0.00 -3.46 0.00 0.00 -1.01 0.00 0.00 37.83 33.36 2bs3 s LYS 2 CO 0.00 0.04 -0.08 0.08 0.51 0.00 0.00 175.35 175.90 2bs3 s VAL 3 N 1.08 0.68 -0.09 3.17 1.01 -1.26 -1.86 120.40 123.14 2bs3 s VAL 3 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2bs3 s VAL 3 Cb -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2bs3 s VAL 3 CO 0.04 0.21 -0.20 -1.10 0.00 0.00 0.00 175.10 174.06 2bs3 s GLN 4 N 0.10 2.57 0.07 2.72 -1.52 -0.33 -4.98 119.66 118.28 2bs3 s GLN 4 Ca -0.01 -0.72 0.06 0.00 -1.95 0.00 0.00 55.36 52.74 2bs3 s GLN 4 Cb -0.07 -1.98 -0.04 0.00 -0.22 0.00 0.00 33.01 30.70 2bs3 s GLN 4 CO 0.00 0.13 -0.10 -0.47 -0.25 0.00 0.00 175.29 174.60 2bs3 s TYR 5 N 0.44 2.75 0.09 0.91 6.14 -1.26 -1.10 117.35 125.31 2bs3 s TYR 5 Ca -0.17 -0.14 -0.22 0.00 0.64 0.00 0.00 57.07 57.17 2bs3 s TYR 5 Cb -0.17 -1.48 0.06 0.00 0.42 0.00 0.00 41.96 40.78 2bs3 s TYR 5 CO 0.07 0.39 0.53 0.00 0.64 0.00 0.00 175.55 177.18 2bs3 h ASP 7 N 2.47 0.73 -3.35 0.00 3.32 -1.39 -3.33 116.42 114.87 2bs3 h ASP 7 Ca -0.32 -0.49 -0.56 0.00 0.02 0.00 0.00 57.03 55.68 2bs3 h ASP 7 Cb 1.25 -0.22 -0.38 0.00 0.22 0.00 0.00 39.33 40.20 2bs3 h ASP 7 CO 0.41 1.26 -0.79 -0.44 -1.72 0.00 0.00 179.24 177.96 2bs3 s SER 8 N -7.06 2.91 -0.23 6.45 0.01 -0.58 -2.21 113.70 112.98 2bs3 s SER 8 Ca -0.08 -0.70 -0.10 0.00 1.31 0.00 0.00 55.95 56.38 2bs3 s SER 8 Cb 0.09 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 2bs3 s SER 8 CO 0.88 -0.19 0.14 -0.22 0.41 0.00 0.00 173.24 174.25 2bs3 s LEU 9 N 1.62 3.99 -0.16 2.44 2.96 -0.62 -1.90 118.68 127.00 2bs3 s LEU 9 Ca 0.00 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.97 2bs3 s LEU 9 Cb -0.16 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 2bs3 s LEU 9 CO -0.08 0.06 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.19 2bs3 s VAL 10 N 1.06 2.72 -0.39 1.68 1.01 0.64 -0.56 120.40 126.56 2bs3 s VAL 10 Ca 0.07 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2bs3 s VAL 10 Cb -0.14 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 34.14 2bs3 s VAL 10 CO 0.04 0.51 0.21 -0.63 0.00 0.00 0.00 175.10 175.23 2bs3 s ILE 11 N 0.92 4.23 0.00 2.22 1.01 0.86 -0.48 121.20 129.96 2bs3 s ILE 11 Ca -0.03 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.42 2bs3 s ILE 11 Cb -0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2bs3 s ILE 11 CO -0.01 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.17 2bs3 n GLY 12 N 4.92 3.68 2.02 6.18 0.00 0.34 -0.23 105.19 122.09 2bs3 n GLY 12 Ca -0.11 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 2bs3 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 13 N 0.00 5.87 0.00 -0.02 0.00 -1.25 -4.20 105.19 105.59 2bs3 n GLY 13 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 2bs3 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 14 N -0.88 1.09 0.20 -0.02 0.00 -1.26 -4.62 105.19 99.70 2bs3 n GLY 14 Ca 0.51 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.54 2bs3 n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bs3 h LEU 15 N 0.00 0.27 -0.12 0.99 3.38 -1.93 -1.35 115.31 116.56 2bs3 h LEU 15 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2bs3 h LEU 15 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bs3 h LEU 15 CO 0.00 0.19 0.01 0.00 0.09 0.00 0.00 178.44 178.73 2bs3 h ALA 16 N 1.30 0.16 -0.21 1.53 0.00 -1.90 -1.52 119.26 118.61 2bs3 h ALA 16 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2bs3 h ALA 16 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2bs3 h ALA 16 CO -0.20 -0.17 0.06 0.78 0.00 0.00 0.00 179.25 179.72 2bs3 h GLY 17 N -0.04 0.36 1.03 0.00 0.00 -1.70 -1.65 103.07 101.06 2bs3 h GLY 17 Ca 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2bs3 h GLY 17 CO 0.00 0.21 0.26 1.41 0.00 0.00 0.00 176.54 178.42 2bs3 h LEU 18 N 0.17 0.98 -0.90 3.11 3.38 -1.30 -1.02 115.31 119.74 2bs3 h LEU 18 Ca 0.07 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 2bs3 h LEU 18 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2bs3 h LEU 18 CO -0.00 0.90 -0.27 -0.09 0.09 0.00 0.00 178.44 179.07 2bs3 h ARG 19 N 1.01 0.49 -0.20 1.13 9.65 -1.20 -2.07 114.38 123.18 2bs3 h ARG 19 Ca 0.23 -0.19 -0.13 0.00 -1.10 0.00 0.00 59.98 58.79 2bs3 h ARG 19 Cb 0.24 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 2bs3 h ARG 19 CO -0.02 0.72 -0.41 0.00 2.80 0.00 0.00 179.97 183.07 2bs3 h ALA 20 N 1.28 0.92 -0.41 2.80 0.00 -1.03 -2.69 119.26 120.13 2bs3 h ALA 20 Ca 0.06 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2bs3 h ALA 20 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2bs3 h ALA 20 CO 0.05 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.91 2bs3 h ALA 21 N 1.17 1.20 -0.46 0.00 0.00 -0.78 -2.16 119.26 118.22 2bs3 h ALA 21 Ca 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2bs3 h ALA 21 Cb 0.88 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2bs3 h ALA 21 CO 0.07 0.52 0.17 0.28 0.00 0.00 0.00 179.25 180.30 2bs3 h VAL 22 N 0.62 1.21 -0.66 0.00 2.07 -1.16 -0.25 116.25 118.08 2bs3 h VAL 22 Ca 0.12 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.02 2bs3 h VAL 22 Cb 0.43 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2bs3 h VAL 22 CO 0.02 0.25 0.39 0.00 0.02 0.00 0.00 177.57 178.25 2bs3 h ALA 23 N 1.02 0.87 0.09 1.67 0.00 -1.09 -0.95 119.26 120.87 2bs3 h ALA 23 Ca 0.15 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 2bs3 h ALA 23 Cb 0.21 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.85 2bs3 h ALA 23 CO -0.01 0.12 -0.77 1.79 0.00 0.00 0.00 179.25 180.37 2bs3 h THR 24 N 0.75 1.46 -0.74 0.00 1.35 -1.28 -3.34 112.91 111.11 2bs3 h THR 24 Ca 0.28 -2.36 -0.03 0.00 -0.55 0.00 0.00 66.41 63.75 2bs3 h THR 24 Cb 0.09 2.94 -0.03 0.00 -1.73 0.00 0.00 68.15 69.41 2bs3 h THR 24 CO -0.14 0.68 0.35 -0.61 -0.25 0.00 0.00 175.52 175.55 2bs3 h GLN 25 N -0.22 1.06 0.00 4.72 5.75 -0.98 -2.33 115.11 123.11 2bs3 h GLN 25 Ca -0.12 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 2bs3 h GLN 25 Cb 1.55 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.90 2bs3 h GLN 25 CO 0.15 0.82 0.00 -0.56 -2.65 0.00 0.00 178.83 176.59 2bs3 h GLN 26 N 1.05 0.00 -0.56 1.69 3.07 -1.29 -2.13 115.11 116.94 2bs3 h GLN 26 Ca 0.25 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.81 2bs3 h GLN 26 Cb 0.12 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.57 2bs3 h GLN 26 CO -0.03 0.00 0.16 0.36 0.09 0.00 0.00 178.83 179.41 2bs3 n LYS 27 N -2.51 2.96 -0.91 0.06 2.85 -0.90 -4.94 118.16 114.77 2bs3 n LYS 27 Ca -0.00 -3.05 0.00 0.00 -1.05 0.00 0.00 58.31 54.20 2bs3 n LYS 27 Cb 0.14 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 32.48 2bs3 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2bs3 n GLY 28 N -0.56 0.79 3.67 2.58 0.00 -0.80 -5.02 105.19 105.85 2bs3 n GLY 28 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 2bs3 n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bs3 s LEU 29 N 0.00 4.19 0.06 0.99 1.43 -1.07 -4.99 118.68 119.29 2bs3 s LEU 29 Ca 0.00 1.20 -0.31 0.00 -1.03 0.00 0.00 54.13 54.00 2bs3 s LEU 29 Cb 0.00 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.89 2bs3 s LEU 29 CO 0.00 -0.38 1.63 -0.94 0.23 0.00 0.00 176.35 176.88 2bs3 s SER 30 N 1.13 6.63 0.03 2.29 1.04 -1.26 -3.95 113.70 119.61 2bs3 s SER 30 Ca 0.39 2.44 0.04 0.00 0.48 0.00 0.00 55.95 59.30 2bs3 s SER 30 Cb -0.17 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 2bs3 s SER 30 CO 0.13 -0.87 -0.13 0.28 0.98 0.00 0.00 173.24 173.63 2bs3 s THR 31 N 2.65 1.05 -0.03 2.02 -1.32 -1.26 -1.04 115.64 117.71 2bs3 s THR 31 Ca 0.73 -0.90 0.07 0.00 -1.21 0.00 0.00 61.69 60.38 2bs3 s THR 31 Cb -0.39 -0.94 -0.02 0.00 -1.51 0.00 0.00 72.50 69.65 2bs3 s THR 31 CO 0.32 0.04 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.90 2bs3 s ILE 32 N -0.75 1.91 -0.20 5.08 1.01 -0.80 -2.08 121.20 125.37 2bs3 s ILE 32 Ca 0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 2bs3 s ILE 32 Cb -0.07 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2bs3 s ILE 32 CO 0.01 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 174.67 2bs3 s VAL 33 N -0.43 2.69 -0.07 2.92 1.01 0.10 -0.26 120.40 126.35 2bs3 s VAL 33 Ca 0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2bs3 s VAL 33 Cb -0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2bs3 s VAL 33 CO 0.00 0.49 0.18 -0.76 0.00 0.00 0.00 175.10 175.01 2bs3 s LEU 34 N 1.33 4.39 -0.11 3.92 1.43 0.37 -0.85 118.68 129.16 2bs3 s LEU 34 Ca 0.05 0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 53.45 2bs3 s LEU 34 Cb -0.14 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.82 2bs3 s LEU 34 CO -0.08 0.35 0.45 -0.55 0.23 0.00 0.00 176.35 176.75 2bs3 s SER 35 N -1.33 -0.42 0.34 2.29 0.15 -0.88 -0.50 113.70 113.36 2bs3 s SER 35 Ca 0.20 0.64 0.07 0.00 0.70 0.00 0.00 55.95 57.56 2bs3 s SER 35 Cb -0.13 0.69 0.63 0.00 -1.71 0.00 0.00 66.02 65.50 2bs3 s SER 35 CO 0.10 -0.31 1.84 -0.07 1.20 0.00 0.00 173.24 175.99 2bs3 h LEU 36 N 4.59 0.32 -8.81 3.45 3.38 -1.87 0.14 115.31 116.50 2bs3 h LEU 36 Ca -0.28 -0.08 -0.32 0.00 0.09 0.00 0.00 57.88 57.29 2bs3 h LEU 36 Cb 1.17 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 2bs3 h LEU 36 CO 0.30 0.52 -0.62 0.27 0.09 0.00 0.00 178.44 179.00 2bs3 s ILE 37 N -4.62 0.45 0.22 1.22 -4.36 -1.26 -2.50 121.20 110.35 2bs3 s ILE 37 Ca -0.06 -2.00 -0.32 0.00 -0.26 0.00 0.00 60.65 58.02 2bs3 s ILE 37 Cb 0.15 -2.57 -0.13 0.00 1.25 0.00 0.00 42.46 41.15 2bs3 s ILE 37 CO 0.75 -0.04 1.45 -2.65 0.24 0.00 0.00 174.94 174.70 2bs3 n PRO 38 N -0.41 2.07 -0.08 0.37 -0.02 -1.26 -4.60 135.00 131.08 2bs3 n PRO 38 Ca -0.00 0.74 0.20 0.00 -2.02 0.00 0.00 63.50 62.42 2bs3 n PRO 38 Cb 0.66 -2.43 0.64 0.00 -0.02 0.00 0.00 33.50 32.35 2bs3 n PRO 38 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2bs3 h VAL 39 N 3.19 0.72 0.00 -1.45 -1.51 -1.96 -0.97 116.25 114.27 2bs3 h VAL 39 Ca -0.45 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2bs3 h VAL 39 Cb 1.27 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2bs3 h VAL 39 CO 0.79 0.02 0.00 0.29 -1.23 0.00 0.00 177.57 177.44 2bs3 n LYS 40 N -4.40 0.79 -0.10 5.19 5.02 -1.26 -2.32 118.16 121.08 2bs3 n LYS 40 Ca 0.13 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.49 2bs3 n LYS 40 Cb 0.64 -1.33 0.12 0.00 -0.02 0.00 0.00 35.03 34.44 2bs3 n LYS 40 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bs3 n ARG 41 N -0.83 1.80 -1.07 1.97 1.74 -0.37 -4.85 116.66 115.06 2bs3 n ARG 41 Ca 0.13 -1.73 -0.34 0.00 -0.77 0.00 0.00 57.85 55.14 2bs3 n ARG 41 Cb 0.06 -1.31 0.13 0.00 -1.02 0.00 0.00 32.46 30.32 2bs3 n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2bs3 n SER 42 N 0.80 0.61 -0.03 0.55 7.64 -0.98 -4.86 113.62 117.36 2bs3 n SER 42 Ca 0.11 0.56 0.22 0.00 1.01 0.00 0.00 58.87 60.78 2bs3 n SER 42 Cb 0.41 -1.46 0.71 0.00 -1.01 0.00 0.00 64.21 62.86 2bs3 n SER 42 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2bs3 h HIS 43 N -0.97 0.00 -1.02 1.43 2.76 -1.95 -0.85 115.15 114.55 2bs3 h HIS 43 Ca -0.46 0.00 0.28 0.00 -2.20 0.00 0.00 60.37 57.99 2bs3 h HIS 43 Cb 1.30 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.20 2bs3 h HIS 43 CO 0.45 0.00 0.71 0.77 -1.30 0.00 0.00 177.93 178.56 2bs3 h SER 44 N 0.00 0.16 0.17 3.26 0.02 -1.94 -0.06 113.55 115.15 2bs3 h SER 44 Ca 0.29 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2bs3 h SER 44 Cb 1.19 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2bs3 h SER 44 CO -0.00 0.04 -0.01 0.00 -1.14 0.00 0.00 176.83 175.72 2bs3 h ALA 45 N 1.53 1.11 0.00 3.77 0.00 -1.34 -2.84 119.26 121.49 2bs3 h ALA 45 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2bs3 h ALA 45 Cb 1.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2bs3 h ALA 45 CO -0.10 0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.04 2bs3 n ALA 46 N -2.14 2.55 -1.74 0.00 0.00 -0.04 -2.72 120.51 116.43 2bs3 n ALA 46 Ca -0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 2bs3 n ALA 46 Cb 0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 2bs3 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bs3 s ALA 47 N -3.04 3.68 0.00 0.00 0.00 -1.07 -4.85 121.76 116.48 2bs3 s ALA 47 Ca 0.12 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2bs3 s ALA 47 Cb 0.17 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2bs3 s ALA 47 CO 0.59 -1.36 0.00 1.04 0.00 0.00 0.00 175.76 176.03 2bs3 n GLN 48 N 6.49 3.75 0.27 0.00 6.02 -1.26 -0.44 117.38 132.20 2bs3 n GLN 48 Ca 0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.04 2bs3 n GLN 48 Cb 0.40 -0.70 -0.07 0.00 1.02 0.00 0.00 30.24 30.89 2bs3 n GLN 48 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2bs3 h GLY 49 N 0.00 -0.75 0.00 1.08 0.00 -1.92 -3.43 103.07 98.04 2bs3 h GLY 49 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2bs3 h GLY 49 CO 0.00 -0.27 0.00 0.61 0.00 0.00 0.00 176.54 176.88 2bs3 n GLY 50 N -0.30 0.57 3.26 4.60 0.00 -1.26 -4.83 105.19 107.23 2bs3 n GLY 50 Ca -0.10 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 2bs3 n GLY 50 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bs3 s MET 51 N -1.32 3.19 -0.05 1.61 1.75 0.51 -4.40 119.30 120.60 2bs3 s MET 51 Ca 0.00 -0.77 -0.29 0.00 -1.25 0.00 0.00 55.69 53.38 2bs3 s MET 51 Cb 0.00 -2.56 -0.02 0.00 2.84 0.00 0.00 34.83 35.08 2bs3 s MET 51 CO 0.00 0.06 0.94 -1.14 -0.65 0.00 0.00 175.02 174.23 2bs3 s GLN 52 N 0.69 4.49 -0.28 4.11 0.74 0.47 0.23 119.66 130.11 2bs3 s GLN 52 Ca -0.08 1.30 -0.19 0.00 0.05 0.00 0.00 55.36 56.44 2bs3 s GLN 52 Cb -0.16 -3.49 0.09 0.00 1.10 0.00 0.00 33.01 30.56 2bs3 s GLN 52 CO 0.02 -0.13 0.78 0.00 -0.55 0.00 0.00 175.29 175.41 2bs3 s ALA 53 N 1.33 -1.94 -1.44 1.58 0.00 -0.82 -4.86 121.76 115.61 2bs3 s ALA 53 Ca 0.48 2.24 -0.14 0.00 0.00 0.00 0.00 51.96 54.54 2bs3 s ALA 53 Cb -0.19 -1.42 0.05 0.00 0.00 0.00 0.00 23.12 21.55 2bs3 s ALA 53 CO 0.23 -0.35 2.19 -1.13 0.00 0.00 0.00 175.76 176.70 2bs3 n SER 54 N 3.62 3.99 -0.01 0.00 3.41 -1.26 -4.69 113.62 118.68 2bs3 n SER 54 Ca -0.18 -2.87 -0.17 0.00 -0.26 0.00 0.00 58.87 55.40 2bs3 n SER 54 Cb 0.58 -1.64 -0.10 0.00 -0.26 0.00 0.00 64.21 62.78 2bs3 n SER 54 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2bs3 h LEU 55 N 9.83 0.61 0.38 1.04 3.38 -1.88 -3.42 115.31 125.25 2bs3 h LEU 55 Ca 0.55 -0.71 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2bs3 h LEU 55 Cb 0.64 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2bs3 h LEU 55 CO 1.86 1.23 -0.09 0.61 0.09 0.00 0.00 178.44 182.14 2bs3 n GLY 56 N 0.92 0.51 0.12 0.83 0.00 -1.26 -4.58 105.19 101.73 2bs3 n GLY 56 Ca -0.09 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 2bs3 n GLY 56 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bs3 h ASN 57 N 0.00 -0.15 -4.39 1.61 -0.26 -1.84 -3.39 115.58 107.16 2bs3 h ASN 57 Ca -0.10 -0.37 -0.49 0.00 -0.56 0.00 0.00 56.30 54.78 2bs3 h ASN 57 Cb 0.60 0.04 0.10 0.00 -1.06 0.00 0.00 38.32 37.99 2bs3 h ASN 57 CO 0.13 0.44 0.37 -0.94 -1.06 0.00 0.00 177.43 176.38 2bs3 s SER 58 N -5.55 4.87 0.17 5.81 1.04 -1.26 -4.82 113.70 113.96 2bs3 s SER 58 Ca -0.12 1.19 -0.16 0.00 0.48 0.00 0.00 55.95 57.34 2bs3 s SER 58 Cb -0.00 -1.93 0.10 0.00 0.10 0.00 0.00 66.02 64.29 2bs3 s SER 58 CO 0.43 -1.71 1.69 0.50 0.98 0.00 0.00 173.24 175.14 2bs3 h LYS 59 N -0.91 0.09 0.00 4.02 1.63 -1.92 0.17 116.57 119.65 2bs3 h LYS 59 Ca -0.46 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2bs3 h LYS 59 Cb 1.27 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2bs3 h LYS 59 CO 0.62 0.06 0.00 -1.33 -3.45 0.00 0.00 179.45 175.34 2bs3 n MET 60 N -5.21 0.66 0.00 1.90 2.81 -1.26 -2.10 117.12 113.93 2bs3 n MET 60 Ca 0.02 0.01 0.05 0.00 -1.81 0.00 0.00 57.70 55.98 2bs3 n MET 60 Cb 0.21 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 2bs3 n MET 60 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2bs3 n SER 61 N -1.04 0.83 -4.65 7.83 7.64 0.38 -1.94 113.62 122.66 2bs3 n SER 61 Ca 0.16 -0.91 -0.50 0.00 1.01 0.00 0.00 58.87 58.63 2bs3 n SER 61 Cb 0.09 0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 64.01 2bs3 n SER 61 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bs3 n ASP 62 N -0.81 2.61 0.00 6.43 -0.08 0.12 -1.25 116.55 123.57 2bs3 n ASP 62 Ca 0.03 1.07 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 2bs3 n ASP 62 Cb 0.19 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.34 2bs3 n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bs3 n GLY 63 N 3.39 1.27 3.76 0.27 0.00 -1.26 -5.04 105.19 107.58 2bs3 n GLY 63 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2bs3 n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bs3 s ASP 64 N -2.95 5.86 0.35 1.61 2.15 -0.38 -5.01 116.67 118.30 2bs3 s ASP 64 Ca 0.00 2.50 -0.12 0.00 0.43 0.00 0.00 52.55 55.36 2bs3 s ASP 64 Cb 0.00 -2.62 0.05 0.00 -0.30 0.00 0.00 42.92 40.05 2bs3 s ASP 64 CO 0.00 -1.14 0.67 -0.46 -0.17 0.00 0.00 175.17 174.07 2bs3 n ASN 65 N -0.63 -1.96 -0.30 -0.34 0.23 -1.26 -4.56 115.26 106.44 2bs3 n ASN 65 Ca 0.08 -2.47 0.07 0.00 -0.53 0.00 0.00 54.58 51.73 2bs3 n ASN 65 Cb 0.47 3.29 0.29 0.00 -2.08 0.00 0.00 39.78 41.75 2bs3 n ASN 65 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2bs3 h GLU 66 N 0.00 0.88 -0.55 -3.83 3.07 -1.87 -2.53 114.58 109.75 2bs3 h GLU 66 Ca -0.29 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.48 2bs3 h GLU 66 Cb 1.11 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 2bs3 h GLU 66 CO 0.38 0.58 0.23 -0.44 -1.40 0.00 0.00 179.01 178.36 2bs3 h ASP 67 N 0.90 0.75 -0.43 1.42 3.32 -1.96 0.21 116.42 120.63 2bs3 h ASP 67 Ca 0.42 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 2bs3 h ASP 67 Cb 0.42 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2bs3 h ASP 67 CO -0.19 0.70 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.71 2bs3 h LEU 68 N 0.75 0.99 -0.55 1.55 3.38 -1.87 -1.25 115.31 118.31 2bs3 h LEU 68 Ca 0.18 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 2bs3 h LEU 68 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2bs3 h LEU 68 CO -0.02 1.18 -0.20 -0.74 0.09 0.00 0.00 178.44 178.76 2bs3 h HIS 69 N 0.81 1.10 -0.23 1.13 2.76 -1.30 -2.15 115.15 117.27 2bs3 h HIS 69 Ca 0.10 -0.26 0.01 0.00 -2.20 0.00 0.00 60.37 58.02 2bs3 h HIS 69 Cb 0.83 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 2bs3 h HIS 69 CO 0.05 1.06 0.13 0.35 -1.30 0.00 0.00 177.93 178.23 2bs3 h PHE 70 N 0.84 0.25 -0.68 5.26 3.57 -0.39 -1.77 116.94 124.01 2bs3 h PHE 70 Ca 0.11 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 2bs3 h PHE 70 Cb 0.76 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 2bs3 h PHE 70 CO 0.05 0.15 0.13 1.98 -2.23 0.00 0.00 178.31 178.38 2bs3 h MET 71 N 0.27 1.12 -0.76 1.11 4.05 -1.10 -0.70 114.93 118.93 2bs3 h MET 71 Ca 0.09 -0.29 -0.04 0.00 -0.28 0.00 0.00 59.70 59.18 2bs3 h MET 71 Cb -0.00 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 2bs3 h MET 71 CO -0.05 1.01 0.32 -0.44 0.23 0.00 0.00 176.91 177.98 2bs3 h ASP 72 N 1.05 1.02 -0.02 1.39 3.32 -1.22 -1.46 116.42 120.51 2bs3 h ASP 72 Ca 0.21 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2bs3 h ASP 72 Cb 0.42 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2bs3 h ASP 72 CO 0.01 0.90 -0.00 0.74 -1.72 0.00 0.00 179.24 179.17 2bs3 h THR 73 N 1.10 1.28 -0.04 0.35 2.02 -0.90 -0.86 112.91 115.85 2bs3 h THR 73 Ca 0.26 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2bs3 h THR 73 Cb 0.18 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2bs3 h THR 73 CO -0.02 0.22 0.02 0.58 0.37 0.00 0.00 175.52 176.69 2bs3 h VAL 74 N -0.31 1.11 -0.48 3.16 2.07 -1.05 -1.01 116.25 119.74 2bs3 h VAL 74 Ca 0.00 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2bs3 h VAL 74 Cb 0.36 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2bs3 h VAL 74 CO 0.00 0.09 -0.00 0.11 0.02 0.00 0.00 177.57 177.79 2bs3 h LYS 75 N -0.07 0.80 -0.59 1.57 1.57 -1.34 -2.21 116.57 116.30 2bs3 h LYS 75 Ca 0.01 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2bs3 h LYS 75 Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2bs3 h LYS 75 CO -0.00 0.81 0.24 0.78 -0.57 0.00 0.00 179.45 180.71 2bs3 h GLY 76 N 0.97 0.92 1.37 3.86 0.00 -0.93 -1.68 103.07 107.59 2bs3 h GLY 76 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2bs3 h GLY 76 CO 0.02 0.44 0.00 -1.14 0.00 0.00 0.00 176.54 175.86 2bs3 n SER 77 N -4.33 0.00 -3.44 0.19 3.41 -0.40 -4.18 113.62 104.86 2bs3 n SER 77 Ca 0.05 -0.21 -0.25 0.00 -0.26 0.00 0.00 58.87 58.21 2bs3 n SER 77 Cb 0.16 -0.19 0.05 0.00 -0.26 0.00 0.00 64.21 63.97 2bs3 n SER 77 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2bs3 n ASP 78 N -1.19 -5.75 -1.61 4.04 -0.08 -0.63 -2.03 116.55 109.30 2bs3 n ASP 78 Ca 0.11 -0.49 -0.19 0.00 -1.51 0.00 0.00 54.79 52.72 2bs3 n ASP 78 Cb 0.12 -4.59 -0.06 0.00 2.34 0.00 0.00 41.12 38.93 2bs3 n ASP 78 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2bs3 n TRP 79 N -4.68 -0.21 1.15 -0.67 8.01 -1.13 -4.83 117.44 115.08 2bs3 n TRP 79 Ca -0.03 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.28 2bs3 n TRP 79 Cb 0.57 -3.31 0.23 0.00 -2.01 0.00 0.00 31.31 26.78 2bs3 n TRP 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bs3 n GLY 80 N -0.74 -0.35 3.93 6.99 0.00 -0.86 -4.96 105.19 109.20 2bs3 n GLY 80 Ca -0.20 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2bs3 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 s ASP 82 N -4.22 6.39 0.55 0.00 1.01 0.25 -4.92 116.67 115.73 2bs3 s ASP 82 Ca 0.50 -0.19 0.21 0.00 0.71 0.00 0.00 52.55 53.78 2bs3 s ASP 82 Cb -0.10 -2.40 1.47 0.00 1.01 0.00 0.00 42.92 42.90 2bs3 s ASP 82 CO 0.42 -1.00 2.19 1.56 0.21 0.00 0.00 175.17 178.55 2bs3 h GLN 83 N 9.07 0.00 -0.55 8.23 4.20 -1.89 -1.71 115.11 132.47 2bs3 h GLN 83 Ca -0.25 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.36 2bs3 h GLN 83 Cb 1.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 2bs3 h GLN 83 CO 1.00 0.00 -0.07 0.87 -0.67 0.00 0.00 178.83 179.96 2bs3 h LYS 84 N 0.00 1.00 -0.46 1.46 1.57 -1.91 -1.42 116.57 116.81 2bs3 h LYS 84 Ca 0.00 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 2bs3 h LYS 84 Cb 0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2bs3 h LYS 84 CO -0.00 1.02 0.01 0.28 -0.57 0.00 0.00 179.45 180.19 2bs3 h VAL 85 N 0.90 1.26 -0.53 0.50 2.07 -1.65 -1.83 116.25 116.96 2bs3 h VAL 85 Ca 0.15 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2bs3 h VAL 85 Cb 0.62 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2bs3 h VAL 85 CO 0.04 0.35 0.35 0.00 0.02 0.00 0.00 177.57 178.34 2bs3 h ALA 86 N 0.92 1.73 -0.30 1.67 0.00 -1.11 -0.79 119.26 121.38 2bs3 h ALA 86 Ca 0.13 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2bs3 h ALA 86 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2bs3 h ALA 86 CO 0.02 0.21 -0.27 0.00 0.00 0.00 0.00 179.25 179.22 2bs3 h ARG 87 N 0.62 0.72 -0.78 0.00 2.47 -0.82 -1.62 114.38 114.97 2bs3 h ARG 87 Ca 0.21 -0.36 0.04 0.00 -1.26 0.00 0.00 59.98 58.61 2bs3 h ARG 87 Cb 0.09 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.36 2bs3 h ARG 87 CO -0.05 0.98 0.49 0.52 0.56 0.00 0.00 179.97 182.46 2bs3 h MET 88 N 0.47 0.91 0.85 0.04 2.86 -0.51 -2.60 114.93 116.95 2bs3 h MET 88 Ca 0.05 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2bs3 h MET 88 Cb 0.83 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.29 2bs3 h MET 88 CO 0.07 0.60 -0.41 0.35 1.06 0.00 0.00 176.91 178.58 2bs3 h PHE 89 N 0.94 -1.06 -0.19 -0.22 3.57 -0.99 -2.87 116.94 116.13 2bs3 h PHE 89 Ca 0.32 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.82 2bs3 h PHE 89 Cb 0.06 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2bs3 h PHE 89 CO -0.04 -0.65 0.13 -0.39 -2.23 0.00 0.00 178.31 175.13 2bs3 h VAL 90 N -1.26 0.98 0.00 1.41 -1.51 -1.27 0.15 116.25 114.75 2bs3 h VAL 90 Ca -0.12 -0.04 -0.03 0.00 -1.23 0.00 0.00 66.70 65.28 2bs3 h VAL 90 Cb 0.88 0.83 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2bs3 h VAL 90 CO 0.19 0.02 -0.16 -1.13 -1.23 0.00 0.00 177.57 175.27 2bs3 h ASN 91 N 0.13 0.00 0.02 4.19 -0.73 -1.48 -3.29 115.58 114.42 2bs3 h ASN 91 Ca 0.08 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.17 2bs3 h ASN 91 Cb 0.16 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2bs3 h ASN 91 CO -0.01 0.16 -2.06 0.41 -0.37 0.00 0.00 177.43 175.56 2bs3 n THR 92 N -3.18 0.30 -0.27 -3.57 -1.04 -0.53 -4.49 114.28 101.51 2bs3 n THR 92 Ca 0.02 -0.58 0.04 0.00 -2.04 0.00 0.00 64.05 61.50 2bs3 n THR 92 Cb 0.52 -0.11 0.18 0.00 -1.82 0.00 0.00 70.33 69.10 2bs3 n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bs3 h ALA 93 N 1.79 1.10 -1.00 2.41 0.00 -1.08 -1.57 119.26 120.92 2bs3 h ALA 93 Ca -0.11 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2bs3 h ALA 93 Cb 1.26 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2bs3 h ALA 93 CO 0.01 -0.08 0.66 -1.35 0.00 0.00 0.00 179.25 178.48 2bs3 h PRO 94 N 0.59 1.25 0.00 0.00 0.11 -1.79 -1.67 132.00 130.49 2bs3 h PRO 94 Ca 0.40 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.37 2bs3 h PRO 94 Cb 0.51 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2bs3 h PRO 94 CO -0.32 0.83 -0.32 1.57 -0.21 0.00 0.00 178.00 179.54 2bs3 h LYS 95 N 1.29 0.00 -0.17 1.05 2.10 -1.58 -2.34 116.57 116.91 2bs3 h LYS 95 Ca 0.39 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.99 2bs3 h LYS 95 Cb -0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.28 2bs3 h LYS 95 CO -0.11 0.32 -0.06 0.00 -2.00 0.00 0.00 179.45 177.59 2bs3 h ALA 96 N 1.68 0.24 -0.20 0.07 0.00 -0.55 0.21 119.26 120.72 2bs3 h ALA 96 Ca -0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2bs3 h ALA 96 Cb 0.90 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2bs3 h ALA 96 CO 0.04 0.03 0.01 0.82 0.00 0.00 0.00 179.25 180.16 2bs3 h ILE 97 N 0.05 0.88 -0.45 0.00 1.08 -1.28 -1.21 117.51 116.57 2bs3 h ILE 97 Ca 0.04 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.41 2bs3 h ILE 97 Cb 0.52 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 2bs3 h ILE 97 CO 0.02 0.01 -0.02 0.03 -0.69 0.00 0.00 178.15 177.51 2bs3 h ARG 98 N 0.08 0.74 -0.33 2.37 3.08 -1.34 -0.25 114.38 118.74 2bs3 h ARG 98 Ca 0.09 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 2bs3 h ARG 98 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2bs3 h ARG 98 CO -0.15 0.76 -0.10 1.49 -1.07 0.00 0.00 179.97 180.91 2bs3 h GLU 99 N 0.69 0.65 -0.49 0.04 4.81 -0.73 -1.94 114.58 117.62 2bs3 h GLU 99 Ca 0.13 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2bs3 h GLU 99 Cb 0.46 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2bs3 h GLU 99 CO 0.02 0.84 0.22 -0.07 -0.73 0.00 0.00 179.01 179.29 2bs3 h LEU 100 N 0.43 0.63 -0.79 1.64 3.38 -0.91 -0.52 115.31 119.17 2bs3 h LEU 100 Ca 0.08 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2bs3 h LEU 100 Cb 0.61 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2bs3 h LEU 100 CO 0.04 0.55 0.19 0.00 0.09 0.00 0.00 178.44 179.31 2bs3 h ALA 101 N 1.55 1.01 0.00 1.53 0.00 -0.78 -1.05 119.26 121.53 2bs3 h ALA 101 Ca 0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2bs3 h ALA 101 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2bs3 h ALA 101 CO -0.02 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.59 2bs3 h ALA 102 N 1.15 1.14 -0.10 0.00 0.00 -0.48 -1.98 119.26 119.00 2bs3 h ALA 102 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bs3 h ALA 102 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bs3 h ALA 102 CO -0.00 0.36 0.00 0.91 0.00 0.00 0.00 179.25 180.52 2bs3 n TRP 103 N -3.64 0.13 -0.18 0.00 8.01 -0.31 -4.90 117.44 116.55 2bs3 n TRP 103 Ca -0.01 -0.06 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 2bs3 n TRP 103 Cb 0.41 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.71 2bs3 n TRP 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bs3 n GLY 104 N 0.91 0.59 3.67 6.99 0.00 -0.74 -4.94 105.19 111.67 2bs3 n GLY 104 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2bs3 n GLY 104 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bs3 n VAL 105 N -2.00 0.60 -1.20 1.61 0.31 -0.50 -4.83 118.33 112.32 2bs3 n VAL 105 Ca 0.00 -0.11 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 2bs3 n VAL 105 Cb 0.00 -2.17 -0.02 0.00 -0.91 0.00 0.00 33.84 30.74 2bs3 n VAL 105 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2bs3 n PRO 106 N 6.71 2.72 -1.72 5.55 -0.04 -1.26 -4.59 135.00 142.37 2bs3 n PRO 106 Ca 0.20 -2.00 -0.42 0.00 -0.04 0.00 0.00 63.50 61.23 2bs3 n PRO 106 Cb 0.37 -2.81 -0.01 0.00 -0.04 0.00 0.00 33.50 31.02 2bs3 n PRO 106 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2bs3 n TRP 107 N 4.84 2.56 -1.97 0.54 7.02 -1.26 -4.57 117.44 124.60 2bs3 n TRP 107 Ca 0.59 0.45 -0.41 0.00 -1.02 0.00 0.00 57.50 57.11 2bs3 n TRP 107 Cb 0.26 -2.49 -0.02 0.00 -2.42 0.00 0.00 31.31 26.64 2bs3 n TRP 107 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2bs3 s THR 108 N -0.76 2.49 0.25 -0.99 2.01 0.25 -4.90 115.64 113.99 2bs3 s THR 108 Ca 0.58 0.44 0.08 0.00 0.31 0.00 0.00 61.69 63.10 2bs3 s THR 108 Cb -0.54 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2bs3 s THR 108 CO 0.58 0.09 0.11 -0.13 -0.69 0.00 0.00 174.62 174.58 2bs3 s ARG 109 N -1.05 2.65 0.14 4.92 1.81 -1.26 -1.25 118.95 124.92 2bs3 s ARG 109 Ca 0.56 -1.19 -0.27 0.00 -1.72 0.00 0.00 55.73 53.10 2bs3 s ARG 109 Cb -0.43 -2.40 -0.07 0.00 -0.45 0.00 0.00 34.95 31.60 2bs3 s ARG 109 CO 0.50 0.39 0.86 0.42 -0.68 0.00 0.00 175.30 176.79 2bs3 s ILE 110 N -2.18 4.41 0.04 1.52 1.01 0.08 -4.73 121.20 121.35 2bs3 s ILE 110 Ca 0.32 1.86 0.09 0.00 0.00 0.00 0.00 60.65 62.93 2bs3 s ILE 110 Cb -0.07 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 2bs3 s ILE 110 CO 0.23 0.43 -0.26 -1.38 0.00 0.00 0.00 174.94 173.96 2bs3 s HIS 111 N -0.63 2.31 0.55 3.97 -3.43 -1.26 0.13 115.29 116.93 2bs3 s HIS 111 Ca 0.40 -0.41 -0.21 0.00 -0.80 0.00 0.00 55.06 54.04 2bs3 s HIS 111 Cb -0.23 -1.39 -0.05 0.00 -1.43 0.00 0.00 32.58 29.48 2bs3 s HIS 111 CO 0.28 0.12 1.26 0.21 -2.00 0.00 0.00 174.74 174.60 2bs3 s LYS 112 N -1.21 3.16 0.00 -0.38 2.20 -1.26 -4.75 119.74 117.51 2bs3 s LYS 112 Ca 0.12 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 2bs3 s LYS 112 Cb -0.10 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2bs3 s LYS 112 CO 0.02 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.32 2bs3 n GLY 113 N 0.61 0.90 3.92 5.54 0.00 -0.83 -4.95 105.19 110.38 2bs3 n GLY 113 Ca 0.11 -2.14 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 2bs3 n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bs3 s ASP 114 N -0.56 6.33 -0.09 1.61 1.01 -1.26 -1.16 116.67 122.55 2bs3 s ASP 114 Ca 0.00 0.63 -0.08 0.00 0.71 0.00 0.00 52.55 53.81 2bs3 s ASP 114 Cb 0.00 -2.11 0.03 0.00 1.01 0.00 0.00 42.92 41.85 2bs3 s ASP 114 CO 0.00 -0.32 0.24 -0.60 0.21 0.00 0.00 175.17 174.69 2bs3 s ARG 115 N -4.17 0.26 -0.68 8.23 3.52 0.54 -4.95 118.95 121.71 2bs3 s ARG 115 Ca 0.43 0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 56.13 2bs3 s ARG 115 Cb -0.10 0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.41 2bs3 s ARG 115 CO 0.36 -0.06 1.21 -1.64 -0.81 0.00 0.00 175.30 174.37 2bs3 s MET 116 N 0.34 3.29 0.18 5.12 -1.94 -1.26 -1.37 119.30 123.66 2bs3 s MET 116 Ca -0.02 -0.13 0.11 0.00 -1.71 0.00 0.00 55.69 53.94 2bs3 s MET 116 Cb -0.03 -4.13 -0.04 0.00 2.01 0.00 0.00 34.83 32.64 2bs3 s MET 116 CO -0.01 -1.95 -0.24 0.00 -0.01 0.00 0.00 175.02 172.81 2bs3 s ALA 117 N 5.29 2.47 -0.35 3.03 0.00 -1.09 -5.01 121.76 126.10 2bs3 s ALA 117 Ca 0.36 -1.61 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 2bs3 s ALA 117 Cb -0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 2bs3 s ALA 117 CO 0.18 0.43 0.22 0.42 0.00 0.00 0.00 175.76 177.01 2bs3 s ILE 118 N -1.62 5.00 -0.28 0.00 -1.09 -1.26 -3.32 121.20 118.63 2bs3 s ILE 118 Ca 0.19 -0.46 0.22 0.00 -2.23 0.00 0.00 60.65 58.38 2bs3 s ILE 118 Cb -0.08 -3.64 -0.27 0.00 -1.58 0.00 0.00 42.46 36.90 2bs3 s ILE 118 CO 0.09 -0.09 0.66 -0.38 -1.23 0.00 0.00 174.94 174.00 2bs3 n ILE 119 N 5.07 0.07 -2.65 2.92 5.41 -1.26 -4.94 119.36 123.98 2bs3 n ILE 119 Ca -0.12 -0.39 -0.21 0.00 1.00 0.00 0.00 62.75 63.03 2bs3 n ILE 119 Cb 0.48 0.17 0.01 0.00 -0.71 0.00 0.00 39.64 39.59 2bs3 n ILE 119 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2bs3 n ASN 120 N -2.13 -5.77 0.00 4.38 3.02 -1.26 -4.48 115.26 109.02 2bs3 n ASN 120 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2bs3 n ASN 120 Cb 0.51 -4.76 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 2bs3 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bs3 n ALA 121 N -2.62 0.00 0.00 5.41 0.00 -1.26 -4.96 120.51 117.08 2bs3 n ALA 121 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2bs3 n ALA 121 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2bs3 n ALA 121 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bs3 n GLN 122 N 0.00 0.00 -0.76 0.00 6.02 -1.26 -5.06 117.38 116.32 2bs3 n GLN 122 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2bs3 n GLN 122 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 2bs3 n GLN 122 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2bs3 n LYS 123 N 0.00 0.02 0.00 -1.09 2.85 -1.26 -4.27 118.16 114.41 2bs3 n LYS 123 Ca 0.00 -1.12 0.00 0.00 -1.05 0.00 0.00 58.31 56.14 2bs3 n LYS 123 Cb 0.00 -2.77 0.00 0.00 -0.65 0.00 0.00 35.03 31.61 2bs3 n LYS 123 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2bs3 n THR 124 N 7.36 0.00 -4.77 0.58 5.66 -1.21 -4.85 114.28 117.05 2bs3 n THR 124 Ca 0.44 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 61.12 2bs3 n THR 124 Cb 0.43 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.08 2bs3 n THR 124 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2bs3 s THR 125 N 4.04 3.16 -0.06 1.09 2.01 -1.26 -2.65 115.64 121.96 2bs3 s THR 125 Ca 0.00 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.24 2bs3 s THR 125 Cb 0.00 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 2bs3 s THR 125 CO 0.00 0.52 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.70 2bs3 s ILE 126 N -0.81 3.25 -0.11 1.82 1.01 -0.47 -4.91 121.20 120.98 2bs3 s ILE 126 Ca 0.13 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2bs3 s ILE 126 Cb -0.11 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 2bs3 s ILE 126 CO 0.02 0.59 -0.18 -0.89 0.00 0.00 0.00 174.94 174.48 2bs3 s THR 127 N -0.65 2.59 -0.24 2.92 2.01 -1.26 -0.34 115.64 120.67 2bs3 s THR 127 Ca 0.10 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 2bs3 s THR 127 Cb -0.11 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2bs3 s THR 127 CO 0.01 0.54 0.02 -1.61 -0.69 0.00 0.00 174.62 172.90 2bs3 s GLU 128 N 0.26 3.53 0.86 4.92 0.41 -0.31 -4.69 118.70 123.68 2bs3 s GLU 128 Ca -0.13 -0.54 -0.11 0.00 -0.41 0.00 0.00 54.97 53.78 2bs3 s GLU 128 Cb -0.16 -3.19 0.11 0.00 -1.78 0.00 0.00 34.13 29.11 2bs3 s GLU 128 CO 0.07 -0.19 1.09 -1.21 -0.49 0.00 0.00 175.26 174.53 2bs3 s GLU 129 N 1.55 1.53 0.41 1.61 8.01 -1.26 -1.97 118.70 128.58 2bs3 s GLU 129 Ca 0.06 0.97 0.07 0.00 0.01 0.00 0.00 54.97 56.09 2bs3 s GLU 129 Cb -0.15 -1.83 0.86 0.00 -4.31 0.00 0.00 34.13 28.70 2bs3 s GLU 129 CO 0.01 -2.10 2.05 0.38 0.01 0.00 0.00 175.26 175.61 2bs3 h ASP 130 N -1.45 0.48 0.53 -0.19 3.04 -1.97 -2.02 116.42 114.84 2bs3 h ASP 130 Ca -0.47 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2bs3 h ASP 130 Cb 1.27 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 2bs3 h ASP 130 CO 0.53 0.34 0.00 2.22 -2.04 0.00 0.00 179.24 180.29 2bs3 n PHE 131 N -4.47 0.00 0.29 4.15 1.16 -1.26 -2.22 117.46 115.11 2bs3 n PHE 131 Ca 0.04 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.73 2bs3 n PHE 131 Cb 0.09 -0.46 -0.05 0.00 -1.61 0.00 0.00 39.48 37.46 2bs3 n PHE 131 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2bs3 n ARG 132 N -1.46 0.47 -1.64 3.97 1.74 -0.76 -4.96 116.66 114.02 2bs3 n ARG 132 Ca 0.05 -0.03 -0.47 0.00 -0.77 0.00 0.00 57.85 56.63 2bs3 n ARG 132 Cb 0.18 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 2bs3 n ARG 132 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2bs3 n HIS 133 N -2.22 1.96 -0.48 -1.55 -0.00 -0.94 -2.22 115.22 109.76 2bs3 n HIS 133 Ca -0.00 0.46 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2bs3 n HIS 133 Cb 0.50 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.94 2bs3 n HIS 133 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2bs3 n GLY 134 N 2.51 1.47 3.94 1.57 0.00 0.12 -4.96 105.19 109.84 2bs3 n GLY 134 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2bs3 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bs3 s LEU 135 N 0.00 3.47 0.08 0.99 1.43 -0.94 -4.74 118.68 118.97 2bs3 s LEU 135 Ca 0.00 0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 53.25 2bs3 s LEU 135 Cb 0.00 -3.32 -0.09 0.00 0.03 0.00 0.00 46.19 42.81 2bs3 s LEU 135 CO 0.00 -0.85 1.67 -0.63 0.23 0.00 0.00 176.35 176.77 2bs3 s ILE 136 N -2.74 2.95 0.90 -0.59 1.01 -1.26 -0.74 121.20 120.73 2bs3 s ILE 136 Ca 0.51 0.43 -0.14 0.00 0.00 0.00 0.00 60.65 61.45 2bs3 s ILE 136 Cb -0.10 -3.28 0.15 0.00 0.01 0.00 0.00 42.46 39.24 2bs3 s ILE 136 CO 0.41 0.00 1.26 -2.28 0.00 0.00 0.00 174.94 174.33 2bs3 s HIS 137 N 2.57 2.10 0.05 3.97 2.46 -0.38 -4.55 115.29 121.50 2bs3 s HIS 137 Ca 0.74 0.46 -0.14 0.00 0.47 0.00 0.00 55.06 56.60 2bs3 s HIS 137 Cb -0.41 -3.87 0.02 0.00 -0.13 0.00 0.00 32.58 28.20 2bs3 s HIS 137 CO 0.33 -2.30 0.31 -1.12 -2.47 0.00 0.00 174.74 169.48 2bs3 s SER 138 N -4.77 -0.13 0.28 9.88 0.01 -1.26 -4.42 113.70 113.29 2bs3 s SER 138 Ca 0.69 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.77 2bs3 s SER 138 Cb -0.07 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 2bs3 s SER 138 CO 0.51 -0.63 0.09 0.00 0.41 0.00 0.00 173.24 173.62 2bs3 s ARG 139 N -2.66 1.49 -0.21 12.44 1.70 -0.19 -4.90 118.95 126.62 2bs3 s ARG 139 Ca -0.04 -1.82 -0.29 0.00 -0.47 0.00 0.00 55.73 53.11 2bs3 s ARG 139 Cb -0.00 -0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 33.98 2bs3 s ARG 139 CO -0.04 -0.29 1.32 0.34 -1.08 0.00 0.00 175.30 175.55 2bs3 s ASP 140 N -3.36 6.80 -0.28 -2.89 2.15 -1.26 -3.43 116.67 114.40 2bs3 s ASP 140 Ca 0.37 1.56 -0.21 0.00 0.43 0.00 0.00 52.55 54.70 2bs3 s ASP 140 Cb 0.08 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.27 2bs3 s ASP 140 CO 0.14 -0.91 0.92 0.12 -0.17 0.00 0.00 175.17 175.27 2bs3 s PHE 141 N 3.94 -0.64 0.00 -5.34 5.36 -1.26 -4.94 117.98 115.10 2bs3 s PHE 141 Ca 0.57 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.97 2bs3 s PHE 141 Cb -0.21 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 2bs3 s PHE 141 CO 0.19 -0.31 0.00 0.41 -1.46 0.00 0.00 175.22 174.05 2bs3 n GLY 142 N 2.98 0.76 2.34 13.12 0.00 -1.26 -4.13 105.19 119.00 2bs3 n GLY 142 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 2bs3 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 143 N -2.29 0.91 3.78 -0.02 0.00 -1.26 -4.50 105.19 101.80 2bs3 n GLY 143 Ca 0.00 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2bs3 n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bs3 s THR 144 N -2.14 4.42 0.22 2.61 -4.23 -1.26 -4.96 115.64 110.30 2bs3 s THR 144 Ca 0.00 1.67 -0.08 0.00 -1.18 0.00 0.00 61.69 62.10 2bs3 s THR 144 Cb 0.00 -4.12 0.17 0.00 1.34 0.00 0.00 72.50 69.88 2bs3 s THR 144 CO 0.00 0.51 1.81 0.50 -0.54 0.00 0.00 174.62 176.90 2bs3 h LYS 145 N 4.47 0.69 -5.81 3.99 3.64 -1.96 -3.38 116.57 118.20 2bs3 h LYS 145 Ca -0.47 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.29 2bs3 h LYS 145 Cb 1.21 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.79 2bs3 h LYS 145 CO 0.66 0.46 0.12 0.21 -2.27 0.00 0.00 179.45 178.63 2bs3 s LYS 146 N -6.07 4.30 -0.57 1.90 2.47 -1.26 -5.00 119.74 115.50 2bs3 s LYS 146 Ca -0.13 0.72 -0.28 0.00 -1.56 0.00 0.00 55.97 54.73 2bs3 s LYS 146 Cb 0.17 -3.53 0.02 0.00 -1.46 0.00 0.00 37.83 33.03 2bs3 s LYS 146 CO 0.77 -0.13 1.36 -1.58 0.16 0.00 0.00 175.35 175.93 2bs3 s TRP 147 N 1.50 2.37 -0.04 4.03 0.52 -0.82 -4.80 118.94 121.71 2bs3 s TRP 147 Ca 0.32 0.45 0.06 0.00 0.02 0.00 0.00 56.10 56.94 2bs3 s TRP 147 Cb -0.16 -4.43 0.09 0.00 -1.15 0.00 0.00 33.47 27.81 2bs3 s TRP 147 CO 0.13 -1.88 0.94 2.89 0.02 0.00 0.00 176.95 179.04 2bs3 n ARG 148 N 8.62 1.24 -2.85 4.98 1.85 -1.26 -4.10 116.66 125.14 2bs3 n ARG 148 Ca 0.11 -1.51 -0.43 0.00 -1.00 0.00 0.00 57.85 55.02 2bs3 n ARG 148 Cb 0.49 -0.94 -0.04 0.00 -1.05 0.00 0.00 32.46 30.92 2bs3 n ARG 148 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2bs3 s THR 149 N -1.14 4.53 0.33 8.89 2.01 -1.22 -1.94 115.64 127.09 2bs3 s THR 149 Ca 0.09 0.72 -0.16 0.00 0.31 0.00 0.00 61.69 62.66 2bs3 s THR 149 Cb 0.08 -4.40 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 2bs3 s THR 149 CO 0.01 -0.77 0.76 0.00 -0.69 0.00 0.00 174.62 173.92 2bs3 s TYR 151 N -1.98 -0.30 -0.75 0.00 1.13 -1.26 -0.36 117.35 113.83 2bs3 s TYR 151 Ca 0.54 0.08 0.00 0.00 -1.41 0.00 0.00 57.07 56.28 2bs3 s TYR 151 Cb -0.10 0.32 0.18 0.00 -1.10 0.00 0.00 41.96 41.26 2bs3 s TYR 151 CO 0.17 -0.71 0.58 0.95 -2.51 0.00 0.00 175.55 174.03 2bs3 s THR 152 N -3.48 3.69 0.00 -3.49 -4.23 -1.26 -0.58 115.64 106.29 2bs3 s THR 152 Ca 0.01 -3.69 0.00 0.00 -1.18 0.00 0.00 61.69 56.83 2bs3 s THR 152 Cb 0.01 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2bs3 s THR 152 CO -0.10 -0.99 0.00 0.00 -0.54 0.00 0.00 174.62 172.99 2bs3 n ALA 153 N 2.61 0.00 -1.05 3.99 0.00 -1.26 -1.96 120.51 122.85 2bs3 n ALA 153 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.63 2bs3 n ALA 153 Cb 0.36 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.11 2bs3 n ALA 153 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bs3 n ASP 154 N 4.60 4.35 -2.79 0.00 5.75 -1.26 -4.61 116.55 122.58 2bs3 n ASP 154 Ca 0.00 -3.14 -0.11 0.00 -0.01 0.00 0.00 54.79 51.53 2bs3 n ASP 154 Cb 0.00 -0.64 0.03 0.00 -1.03 0.00 0.00 41.12 39.49 2bs3 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bs3 n ALA 155 N -0.27 2.52 0.16 2.12 0.00 -0.83 -4.74 120.51 119.47 2bs3 n ALA 155 Ca 0.29 -2.83 -0.14 0.00 0.00 0.00 0.00 53.44 50.76 2bs3 n ALA 155 Cb 1.10 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 2bs3 n ALA 155 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2bs3 h THR 156 N 2.39 0.77 -0.82 0.00 2.02 -1.62 -2.24 112.91 113.40 2bs3 h THR 156 Ca -0.08 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 67.18 2bs3 h THR 156 Cb 1.14 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 68.26 2bs3 h THR 156 CO 0.40 0.00 0.48 1.23 0.37 0.00 0.00 175.52 178.00 2bs3 h GLY 157 N -0.33 1.27 0.78 2.16 0.00 -0.95 -1.19 103.07 104.81 2bs3 h GLY 157 Ca -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2bs3 h GLY 157 CO 0.05 0.16 -0.26 0.84 0.00 0.00 0.00 176.54 177.33 2bs3 h HIS 158 N 0.83 -0.70 -0.31 5.60 6.17 -1.30 -0.36 115.15 125.08 2bs3 h HIS 158 Ca 0.39 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.38 2bs3 h HIS 158 Cb 0.31 0.26 -0.02 0.00 2.52 0.00 0.00 27.41 30.48 2bs3 h HIS 158 CO -0.05 -0.39 -0.15 1.79 0.71 0.00 0.00 177.93 179.83 2bs3 h THR 159 N -0.60 1.25 -0.05 6.26 1.35 -1.18 -1.75 112.91 118.18 2bs3 h THR 159 Ca -0.02 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 2bs3 h THR 159 Cb 0.53 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2bs3 h THR 159 CO -0.01 0.37 0.00 0.24 -0.25 0.00 0.00 175.52 175.87 2bs3 h MET 160 N 0.50 0.09 -0.31 4.72 2.86 -1.09 -2.41 114.93 119.29 2bs3 h MET 160 Ca 0.09 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2bs3 h MET 160 Cb 0.56 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 2bs3 h MET 160 CO 0.04 0.35 0.18 1.25 1.06 0.00 0.00 176.91 179.78 2bs3 h LEU 161 N -0.19 0.28 -1.00 1.22 5.85 -0.94 -2.38 115.31 118.16 2bs3 h LEU 161 Ca 0.01 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2bs3 h LEU 161 Cb 0.31 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2bs3 h LEU 161 CO 0.00 0.21 0.66 -0.26 -0.34 0.00 0.00 178.44 178.71 2bs3 h PHE 162 N 0.36 1.23 -0.14 1.25 -1.00 -1.32 -0.25 116.94 117.08 2bs3 h PHE 162 Ca 0.12 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 2bs3 h PHE 162 Cb 0.00 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 39.15 2bs3 h PHE 162 CO -0.08 0.72 0.05 0.00 -1.61 0.00 0.00 178.31 177.39 2bs3 h ALA 163 N 1.40 0.18 -0.53 2.45 0.00 -1.08 0.43 119.26 122.11 2bs3 h ALA 163 Ca 0.40 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2bs3 h ALA 163 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2bs3 h ALA 163 CO -0.12 -0.22 -0.06 0.28 0.00 0.00 0.00 179.25 179.13 2bs3 h VAL 164 N 0.05 1.26 -0.61 0.00 2.07 -1.20 -0.69 116.25 117.13 2bs3 h VAL 164 Ca 0.04 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 2bs3 h VAL 164 Cb 0.19 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2bs3 h VAL 164 CO -0.00 0.41 0.17 0.00 0.02 0.00 0.00 177.57 178.17 2bs3 h ALA 165 N 1.06 0.80 -0.26 1.67 0.00 -0.95 -1.86 119.26 119.72 2bs3 h ALA 165 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2bs3 h ALA 165 Cb 0.58 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bs3 h ALA 165 CO 0.04 0.49 -0.14 -0.91 0.00 0.00 0.00 179.25 178.72 2bs3 h ASN 166 N 0.88 0.43 -0.49 0.00 2.35 -0.53 -1.93 115.58 116.28 2bs3 h ASN 166 Ca 0.19 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2bs3 h ASN 166 Cb 0.33 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2bs3 h ASN 166 CO -0.00 0.60 0.01 -0.33 -1.65 0.00 0.00 177.43 176.06 2bs3 h GLU 167 N 0.41 0.91 -0.76 0.81 4.39 -0.71 0.26 114.58 119.88 2bs3 h GLU 167 Ca 0.08 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 2bs3 h GLU 167 Cb 0.49 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2bs3 h GLU 167 CO 0.03 0.89 0.34 0.00 -1.16 0.00 0.00 179.01 179.11 2bs3 h LEU 169 N 1.08 0.98 -0.30 0.00 3.38 -0.92 -0.49 115.31 119.04 2bs3 h LEU 169 Ca 0.26 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2bs3 h LEU 169 Cb 0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2bs3 h LEU 169 CO -0.03 1.05 0.16 0.50 0.09 0.00 0.00 178.44 180.21 2bs3 h LYS 170 N 0.91 0.32 0.00 1.13 3.64 -0.41 -2.62 116.57 119.55 2bs3 h LYS 170 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2bs3 h LYS 170 Cb 0.57 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2bs3 h LYS 170 CO 0.03 0.21 0.00 1.28 -2.27 0.00 0.00 179.45 178.71 2bs3 n LEU 171 N -4.94 0.00 0.00 5.20 4.77 -0.36 -4.91 117.00 116.76 2bs3 n LEU 171 Ca -0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2bs3 n LEU 171 Cb 0.06 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2bs3 n LEU 171 CO 0.32 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2bs3 n GLY 172 N 0.85 0.48 3.77 -0.72 0.00 -0.79 -4.97 105.19 103.81 2bs3 n GLY 172 Ca 0.11 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2bs3 n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs3 s VAL 173 N -2.00 2.22 -0.54 1.61 1.01 -0.26 -4.93 120.40 117.51 2bs3 s VAL 173 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 2bs3 s VAL 173 Cb 0.00 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.30 2bs3 s VAL 173 CO 0.00 0.03 0.91 -0.55 0.00 0.00 0.00 175.10 175.49 2bs3 s SER 174 N -0.48 6.34 -0.31 3.32 0.15 -0.89 -4.78 113.70 117.06 2bs3 s SER 174 Ca 0.58 -0.37 -0.16 0.00 0.70 0.00 0.00 55.95 56.69 2bs3 s SER 174 Cb -0.43 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.44 2bs3 s SER 174 CO 0.56 -1.18 0.44 -0.63 1.20 0.00 0.00 173.24 173.63 2bs3 s ILE 175 N 3.81 5.11 -0.33 6.45 -1.09 -1.26 -0.72 121.20 133.16 2bs3 s ILE 175 Ca 0.29 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 59.20 2bs3 s ILE 175 Cb -0.13 -3.83 0.10 0.00 -1.58 0.00 0.00 42.46 37.02 2bs3 s ILE 175 CO 0.19 -0.02 0.04 -1.10 -1.23 0.00 0.00 174.94 172.83 2bs3 s GLN 176 N 2.20 1.44 0.71 2.79 -0.21 -0.03 -4.97 119.66 121.59 2bs3 s GLN 176 Ca 0.17 -1.73 -0.03 0.00 0.02 0.00 0.00 55.36 53.78 2bs3 s GLN 176 Cb -0.16 -3.03 0.11 0.00 1.00 0.00 0.00 33.01 30.92 2bs3 s GLN 176 CO 0.11 -0.92 0.99 0.16 -2.12 0.00 0.00 175.29 173.52 2bs3 s ASP 177 N 1.01 4.46 -1.53 5.90 -4.77 -1.26 -2.07 116.67 118.40 2bs3 s ASP 177 Ca 0.09 -0.10 -0.12 0.00 -3.30 0.00 0.00 52.55 49.13 2bs3 s ASP 177 Cb -0.19 -0.38 0.08 0.00 -1.09 0.00 0.00 42.92 41.34 2bs3 s ASP 177 CO -0.10 -1.78 0.83 0.54 0.70 0.00 0.00 175.17 175.36 2bs3 n ARG 178 N -2.86 -4.57 -4.24 2.11 1.74 0.39 -4.85 116.66 104.38 2bs3 n ARG 178 Ca 0.13 0.52 -0.22 0.00 -0.77 0.00 0.00 57.85 57.50 2bs3 n ARG 178 Cb 0.60 -5.23 -0.17 0.00 -1.02 0.00 0.00 32.46 26.65 2bs3 n ARG 178 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2bs3 s LYS 179 N -6.61 1.15 -0.12 5.56 2.47 -0.62 -1.55 119.74 120.02 2bs3 s LYS 179 Ca 0.52 -0.20 0.02 0.00 -1.56 0.00 0.00 55.97 54.75 2bs3 s LYS 179 Cb -0.27 -1.10 0.01 0.00 -1.46 0.00 0.00 37.83 35.01 2bs3 s LYS 179 CO 0.86 -0.08 -0.19 -2.00 0.16 0.00 0.00 175.35 174.09 2bs3 s GLU 180 N 0.99 2.69 -0.14 4.03 2.12 -0.35 -3.31 118.70 124.74 2bs3 s GLU 180 Ca -0.09 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.21 2bs3 s GLU 180 Cb -0.14 -2.19 -0.01 0.00 0.26 0.00 0.00 34.13 32.04 2bs3 s GLU 180 CO 0.00 -0.01 1.15 0.00 -0.54 0.00 0.00 175.26 175.85 2bs3 s ALA 181 N 0.83 3.57 -0.68 6.30 0.00 -1.26 -0.36 121.76 130.17 2bs3 s ALA 181 Ca -0.08 0.43 0.07 0.00 0.00 0.00 0.00 51.96 52.38 2bs3 s ALA 181 Cb -0.15 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.44 2bs3 s ALA 181 CO -0.01 -0.92 0.56 0.44 0.00 0.00 0.00 175.76 175.83 2bs3 n ILE 182 N 4.98 0.00 -3.58 0.00 -5.35 -0.56 -4.87 119.36 109.98 2bs3 n ILE 182 Ca 0.12 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 62.06 2bs3 n ILE 182 Cb 0.46 1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 39.41 2bs3 n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bs3 s ALA 183 N -0.97 -1.95 -0.11 -1.28 0.00 -1.21 -4.88 121.76 111.36 2bs3 s ALA 183 Ca 0.06 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.54 2bs3 s ALA 183 Cb 0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2bs3 s ALA 183 CO 0.15 -0.33 0.12 -0.51 0.00 0.00 0.00 175.76 175.19 2bs3 s LEU 184 N -1.20 4.27 -0.23 0.00 1.43 -1.26 -0.31 118.68 121.38 2bs3 s LEU 184 Ca -0.00 0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 53.33 2bs3 s LEU 184 Cb -0.01 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 2bs3 s LEU 184 CO 0.00 0.40 0.55 -0.63 0.23 0.00 0.00 176.35 176.90 2bs3 s ILE 185 N -1.01 5.06 0.05 -0.59 1.01 0.26 -4.86 121.20 121.13 2bs3 s ILE 185 Ca 0.15 0.99 -0.10 0.00 0.00 0.00 0.00 60.65 61.69 2bs3 s ILE 185 Cb -0.12 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.49 2bs3 s ILE 185 CO 0.04 0.11 0.21 -1.38 0.00 0.00 0.00 174.94 173.93 2bs3 s HIS 186 N 2.03 0.05 -0.27 3.97 -3.43 -1.26 -0.48 115.29 115.90 2bs3 s HIS 186 Ca 0.24 -0.31 -0.25 0.00 -0.80 0.00 0.00 55.06 53.94 2bs3 s HIS 186 Cb -0.16 -0.01 0.08 0.00 -1.43 0.00 0.00 32.58 31.06 2bs3 s HIS 186 CO 0.09 -0.47 0.78 -1.14 -2.00 0.00 0.00 174.74 172.00 2bs3 s GLN 187 N -2.90 0.79 -1.44 -0.38 0.74 -0.46 -4.95 119.66 111.06 2bs3 s GLN 187 Ca -0.02 0.91 -0.11 0.00 0.05 0.00 0.00 55.36 56.19 2bs3 s GLN 187 Cb 0.00 0.38 0.07 0.00 1.10 0.00 0.00 33.01 34.57 2bs3 s GLN 187 CO -0.06 -0.10 0.71 -0.25 -0.55 0.00 0.00 175.29 175.04 2bs3 n ASP 188 N 2.55 -4.57 -0.28 6.67 8.00 -1.26 -1.36 116.55 126.29 2bs3 n ASP 188 Ca -0.14 -0.53 -0.04 0.00 0.71 0.00 0.00 54.79 54.79 2bs3 n ASP 188 Cb 0.55 -3.70 -0.02 0.00 -0.02 0.00 0.00 41.12 37.93 2bs3 n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs3 n GLY 189 N -1.44 0.65 3.26 0.44 0.00 -1.26 -5.02 105.19 101.81 2bs3 n GLY 189 Ca -0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 2bs3 n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bs3 s LYS 190 N -1.70 1.42 -0.21 1.61 1.02 -0.47 -1.87 119.74 119.54 2bs3 s LYS 190 Ca 0.00 -0.95 -0.13 0.00 0.02 0.00 0.00 55.97 54.91 2bs3 s LYS 190 Cb 0.00 -1.54 -0.05 0.00 -0.52 0.00 0.00 37.83 35.73 2bs3 s LYS 190 CO 0.00 0.39 0.26 0.00 -0.92 0.00 0.00 175.35 175.08 2bs3 n TYR 192 N 4.13 0.25 -0.12 0.00 4.01 0.36 -4.74 117.16 121.06 2bs3 n TYR 192 Ca -0.12 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.27 2bs3 n TYR 192 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 2bs3 n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bs3 n GLY 193 N 0.35 0.72 3.14 2.72 0.00 -1.21 -1.20 105.19 109.72 2bs3 n GLY 193 Ca 0.08 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 2bs3 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 s ALA 194 N -1.00 -0.28 -0.14 4.61 0.00 -0.02 -0.57 121.76 124.36 2bs3 s ALA 194 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.48 2bs3 s ALA 194 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2bs3 s ALA 194 CO 0.00 -0.30 0.49 0.08 0.00 0.00 0.00 175.76 176.03 2bs3 s VAL 195 N -2.18 5.17 -0.01 0.00 1.01 0.58 -0.59 120.40 124.37 2bs3 s VAL 195 Ca -0.08 0.95 0.08 0.00 0.00 0.00 0.00 61.98 62.93 2bs3 s VAL 195 Cb -0.03 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2bs3 s VAL 195 CO -0.02 0.29 -0.25 -0.69 0.00 0.00 0.00 175.10 174.43 2bs3 s VAL 196 N 0.85 1.99 -0.20 2.92 1.01 0.26 -1.50 120.40 125.74 2bs3 s VAL 196 Ca 0.26 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 2bs3 s VAL 196 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2bs3 s VAL 196 CO 0.10 0.54 0.03 -0.60 0.00 0.00 0.00 175.10 175.17 2bs3 s ARG 197 N -0.66 3.72 -0.36 2.72 3.52 0.52 0.07 118.95 128.48 2bs3 s ARG 197 Ca 0.10 -0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 54.94 2bs3 s ARG 197 Cb -0.10 -3.16 0.02 0.00 -1.56 0.00 0.00 34.95 30.15 2bs3 s ARG 197 CO -0.01 0.05 1.15 0.34 -0.81 0.00 0.00 175.30 176.02 2bs3 s ASP 198 N 0.95 6.78 0.54 -2.12 -1.08 0.20 -1.21 116.67 120.73 2bs3 s ASP 198 Ca 0.02 0.93 0.27 0.00 -0.52 0.00 0.00 52.55 53.26 2bs3 s ASP 198 Cb -0.14 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.33 2bs3 s ASP 198 CO 0.02 -1.04 2.13 -0.07 0.52 0.00 0.00 175.17 176.74 2bs3 h LEU 199 N 10.61 0.00 0.00 -1.34 3.38 -1.62 0.52 115.31 126.86 2bs3 h LEU 199 Ca -0.23 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2bs3 h LEU 199 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2bs3 h LEU 199 CO 1.06 0.08 -0.28 0.58 0.09 0.00 0.00 178.44 179.97 2bs3 h VAL 200 N 0.00 0.81 0.00 1.22 2.07 -1.91 -2.59 116.25 115.85 2bs3 h VAL 200 Ca -0.00 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 2bs3 h VAL 200 Cb 0.22 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2bs3 h VAL 200 CO 0.01 0.27 -1.10 0.71 0.02 0.00 0.00 177.57 177.49 2bs3 h THR 201 N -1.00 0.18 0.00 2.57 1.35 -1.92 -2.19 112.91 111.90 2bs3 h THR 201 Ca -0.06 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 2bs3 h THR 201 Cb 0.65 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2bs3 h THR 201 CO -0.03 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2bs3 n GLY 202 N 1.25 1.11 3.76 5.82 0.00 0.18 -4.22 105.19 113.09 2bs3 n GLY 202 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2bs3 n GLY 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bs3 s ASP 203 N -3.08 5.71 -0.24 1.61 1.01 -1.25 -4.62 116.67 115.81 2bs3 s ASP 203 Ca 0.00 2.79 -0.08 0.00 0.71 0.00 0.00 52.55 55.97 2bs3 s ASP 203 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2bs3 s ASP 203 CO 0.00 -1.27 0.09 -0.63 0.21 0.00 0.00 175.17 173.57 2bs3 s ILE 204 N -1.27 4.61 0.03 0.77 -1.09 -1.26 -0.63 121.20 122.37 2bs3 s ILE 204 Ca 0.65 -0.07 0.06 0.00 -2.23 0.00 0.00 60.65 59.05 2bs3 s ILE 204 Cb -0.41 -3.15 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 2bs3 s ILE 204 CO 0.51 0.35 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.76 2bs3 s ILE 205 N 1.38 1.36 -0.26 2.92 1.01 0.11 -4.63 121.20 123.08 2bs3 s ILE 205 Ca 0.06 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 2bs3 s ILE 205 Cb -0.15 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 2bs3 s ILE 205 CO 0.05 0.15 0.23 0.00 0.00 0.00 0.00 174.94 175.36 2bs3 s ALA 206 N -0.74 3.56 -0.35 9.38 0.00 -0.78 0.90 121.76 133.73 2bs3 s ALA 206 Ca 0.05 -0.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2bs3 s ALA 206 Cb -0.08 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.57 2bs3 s ALA 206 CO 0.01 -0.47 0.17 0.71 0.00 0.00 0.00 175.76 176.18 2bs3 s TYR 207 N 1.62 3.22 0.04 0.00 1.51 0.24 -1.19 117.35 122.80 2bs3 s TYR 207 Ca 0.09 -0.94 0.02 0.00 -1.01 0.00 0.00 57.07 55.23 2bs3 s TYR 207 Cb -0.15 -2.38 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 2bs3 s TYR 207 CO 0.09 -0.61 0.07 0.14 -1.11 0.00 0.00 175.55 174.13 2bs3 s VAL 208 N 1.54 4.56 0.21 0.71 -7.23 -0.26 -0.84 120.40 119.09 2bs3 s VAL 208 Ca 0.02 -0.62 -0.21 0.00 -1.81 0.00 0.00 61.98 59.36 2bs3 s VAL 208 Cb -0.19 -3.14 0.04 0.00 0.56 0.00 0.00 36.38 33.66 2bs3 s VAL 208 CO 0.06 0.23 0.63 0.00 -0.31 0.00 0.00 175.10 175.70 2bs3 s ALA 209 N -1.29 -1.31 -0.20 1.32 0.00 -0.34 -2.43 121.76 117.52 2bs3 s ALA 209 Ca 0.26 0.03 0.26 0.00 0.00 0.00 0.00 51.96 52.51 2bs3 s ALA 209 Cb -0.12 0.87 0.70 0.00 0.00 0.00 0.00 23.12 24.57 2bs3 s ALA 209 CO 0.18 -0.88 1.74 0.87 0.00 0.00 0.00 175.76 177.67 2bs3 h LYS 210 N 2.04 0.00 -2.64 0.00 1.57 -1.55 -3.40 116.57 112.59 2bs3 h LYS 210 Ca -0.27 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2bs3 h LYS 210 Cb 1.28 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.37 2bs3 h LYS 210 CO 0.32 0.06 -0.15 0.20 -0.57 0.00 0.00 179.45 179.31 2bs3 s GLY 211 N -4.23 -0.33 -0.07 3.86 0.00 -1.19 -4.78 107.32 100.60 2bs3 s GLY 211 Ca 0.04 1.06 0.03 0.00 0.00 0.00 0.00 44.72 45.85 2bs3 s GLY 211 CO 0.63 0.85 -0.15 -1.59 0.00 0.00 0.00 173.10 172.84 2bs3 s THR 212 N -0.35 1.38 -0.13 0.90 2.01 0.07 -1.59 115.64 117.93 2bs3 s THR 212 Ca -0.05 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2bs3 s THR 212 Cb -0.03 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.26 2bs3 s THR 212 CO 0.03 0.41 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.94 2bs3 s LEU 213 N 0.48 2.22 -0.28 4.42 0.20 0.27 0.19 118.68 126.17 2bs3 s LEU 213 Ca -0.14 -0.55 -0.11 0.00 0.69 0.00 0.00 54.13 54.03 2bs3 s LEU 213 Cb -0.15 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 44.09 2bs3 s LEU 213 CO 0.05 0.10 0.18 -0.63 -0.29 0.00 0.00 176.35 175.76 2bs3 s ILE 214 N 0.68 5.15 -0.39 6.68 1.01 0.91 -0.10 121.20 135.14 2bs3 s ILE 214 Ca -0.10 0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.73 2bs3 s ILE 214 Cb -0.16 -3.48 0.34 0.00 0.01 0.00 0.00 42.46 39.18 2bs3 s ILE 214 CO 0.01 0.23 0.74 0.00 0.00 0.00 0.00 174.94 175.93 2bs3 n ALA 215 N 5.04 2.31 0.73 9.38 0.00 0.68 -2.37 120.51 136.28 2bs3 n ALA 215 Ca -0.14 -3.54 0.07 0.00 0.00 0.00 0.00 53.44 49.82 2bs3 n ALA 215 Cb 0.52 -0.90 0.18 0.00 0.00 0.00 0.00 19.45 19.24 2bs3 n ALA 215 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bs3 n THR 216 N 0.27 0.53 -3.99 0.00 -2.24 -1.24 -4.32 114.28 103.30 2bs3 n THR 216 Ca 0.25 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2bs3 n THR 216 Cb 0.63 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 2bs3 n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bs3 n GLY 217 N 1.14 -1.72 3.98 3.38 0.00 -1.26 -4.83 105.19 105.87 2bs3 n GLY 217 Ca 0.13 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 2bs3 n GLY 217 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bs3 s GLY 218 N -0.35 1.76 -0.26 -0.02 0.00 -1.26 -2.71 107.32 104.48 2bs3 s GLY 218 Ca 0.00 -1.59 0.09 0.00 0.00 0.00 0.00 44.72 43.22 2bs3 s GLY 218 CO 0.00 -0.98 1.29 1.58 0.00 0.00 0.00 173.10 174.99 2bs3 n TYR 219 N -3.05 0.86 0.27 1.90 0.18 -1.26 -3.33 117.16 112.72 2bs3 n TYR 219 Ca 0.15 -1.70 0.13 0.00 1.88 0.00 0.00 57.90 58.36 2bs3 n TYR 219 Cb 0.60 -0.35 0.83 0.00 -0.38 0.00 0.00 39.34 40.04 2bs3 n TYR 219 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2bs3 h GLY 220 N 1.25 0.00 0.59 -7.48 0.00 -1.91 -2.87 103.07 92.65 2bs3 h GLY 220 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2bs3 h GLY 220 CO 0.27 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.35 2bs3 n ARG 221 N -4.05 0.55 0.01 4.80 5.12 -0.53 -1.69 116.66 120.88 2bs3 n ARG 221 Ca -0.02 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.02 2bs3 n ARG 221 Cb 0.11 -1.29 0.54 0.00 -1.16 0.00 0.00 32.46 30.66 2bs3 n ARG 221 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2bs3 n ILE 222 N -0.79 0.26 -3.94 0.55 -5.35 -1.08 -4.73 119.36 104.27 2bs3 n ILE 222 Ca 0.08 0.03 -0.27 0.00 -0.27 0.00 0.00 62.75 62.31 2bs3 n ILE 222 Cb 0.04 -0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 37.29 2bs3 n ILE 222 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2bs3 s TYR 223 N -3.02 3.49 0.00 4.28 1.51 -0.68 -3.76 117.35 119.17 2bs3 s TYR 223 Ca 0.12 0.15 -0.22 0.00 -1.01 0.00 0.00 57.07 56.11 2bs3 s TYR 223 Cb 0.16 -1.69 -0.19 0.00 -0.11 0.00 0.00 41.96 40.14 2bs3 s TYR 223 CO 0.48 0.54 1.22 -0.22 -1.11 0.00 0.00 175.55 176.46 2bs3 h LYS 224 N 2.39 0.25 -4.67 -0.62 3.64 -1.79 -3.42 116.57 112.35 2bs3 h LYS 224 Ca -0.48 -0.17 -0.69 0.00 -1.27 0.00 0.00 60.65 58.04 2bs3 h LYS 224 Cb 1.19 0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 32.84 2bs3 h LYS 224 CO 0.70 0.78 -0.45 -0.80 -2.27 0.00 0.00 179.45 177.41 2bs3 s ASN 225 N -6.16 6.08 0.09 4.20 0.02 -1.26 -5.06 114.94 112.85 2bs3 s ASN 225 Ca -0.15 -0.54 -0.14 0.00 -1.02 0.00 0.00 52.86 51.01 2bs3 s ASN 225 Cb 0.03 -2.15 0.02 0.00 0.02 0.00 0.00 41.25 39.18 2bs3 s ASN 225 CO 0.74 -0.30 0.33 0.28 0.02 0.00 0.00 177.10 178.17 2bs3 s THR 226 N 1.73 0.09 -0.72 1.60 -1.32 -1.26 -2.61 115.64 113.15 2bs3 s THR 226 Ca 0.06 -0.73 0.24 0.00 -1.21 0.00 0.00 61.69 60.06 2bs3 s THR 226 Cb -0.18 -1.13 0.04 0.00 -1.51 0.00 0.00 72.50 69.72 2bs3 s THR 226 CO 0.10 -0.40 1.34 0.35 -2.21 0.00 0.00 174.62 173.81 2bs3 n THR 227 N 0.08 0.26 -1.90 5.08 -2.24 -0.43 -4.54 114.28 110.59 2bs3 n THR 227 Ca -0.17 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.05 2bs3 n THR 227 Cb 0.62 -0.04 0.04 0.00 -2.10 0.00 0.00 70.33 68.85 2bs3 n THR 227 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2bs3 s ASN 228 N -3.92 5.03 0.96 3.42 0.02 -1.26 -4.87 114.94 114.33 2bs3 s ASN 228 Ca 0.07 2.34 -0.11 0.00 -1.02 0.00 0.00 52.86 54.15 2bs3 s ASN 228 Cb 0.14 -2.59 0.17 0.00 0.02 0.00 0.00 41.25 38.99 2bs3 s ASN 228 CO 0.71 -1.70 1.11 0.00 0.02 0.00 0.00 177.10 177.25 2bs3 s ALA 229 N -1.73 1.09 -0.83 0.60 0.00 -1.26 -4.88 121.76 114.75 2bs3 s ALA 229 Ca 0.76 0.36 0.16 0.00 0.00 0.00 0.00 51.96 53.23 2bs3 s ALA 229 Cb -0.29 -3.37 0.68 0.00 0.00 0.00 0.00 23.12 20.13 2bs3 s ALA 229 CO 0.36 -2.91 1.49 1.33 0.00 0.00 0.00 175.76 176.03 2bs3 n VAL 230 N -4.32 1.06 1.25 0.00 0.24 -1.26 -2.46 118.33 112.84 2bs3 n VAL 230 Ca 0.09 0.29 0.13 0.00 -2.04 0.00 0.00 64.34 62.81 2bs3 n VAL 230 Cb 0.53 -1.13 0.36 0.00 -1.47 0.00 0.00 33.84 32.13 2bs3 n VAL 230 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2bs3 n VAL 231 N -1.73 0.00 -2.05 3.34 0.24 -1.26 -4.59 118.33 112.28 2bs3 n VAL 231 Ca 0.03 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.75 2bs3 n VAL 231 Cb 0.16 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 2bs3 n VAL 231 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bs3 n GLU 233 N 5.11 1.83 -1.63 0.00 1.02 -1.25 -1.46 120.64 124.27 2bs3 n GLU 233 Ca 0.46 -1.76 -0.09 0.00 -0.02 0.00 0.00 57.16 55.75 2bs3 n GLU 233 Cb 0.38 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 2bs3 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bs3 n GLY 234 N 1.12 0.66 0.19 0.62 0.00 -1.21 -4.67 105.19 101.89 2bs3 n GLY 234 Ca 0.12 -0.57 0.02 0.00 0.00 0.00 0.00 46.02 45.59 2bs3 n GLY 234 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bs3 h THR 235 N 0.00 1.27 -0.65 2.61 1.35 -1.91 -0.92 112.91 114.66 2bs3 h THR 235 Ca -0.20 -1.27 -0.05 0.00 -0.55 0.00 0.00 66.41 64.34 2bs3 h THR 235 Cb 0.83 1.64 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 2bs3 h THR 235 CO 0.27 0.37 0.19 1.23 -0.25 0.00 0.00 175.52 177.33 2bs3 h GLY 236 N 1.10 1.06 0.85 5.82 0.00 -1.89 -0.62 103.07 109.40 2bs3 h GLY 236 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 2bs3 h GLY 236 CO 0.05 0.57 0.05 -0.84 0.00 0.00 0.00 176.54 176.37 2bs3 h THR 237 N 0.95 1.21 -0.58 4.70 2.02 -1.73 -3.06 112.91 116.43 2bs3 h THR 237 Ca 0.21 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 2bs3 h THR 237 Cb 0.29 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 2bs3 h THR 237 CO -0.01 0.21 0.36 0.00 0.37 0.00 0.00 175.52 176.45 2bs3 h ALA 238 N 0.85 0.73 0.00 6.16 0.00 -0.71 -1.48 119.26 124.81 2bs3 h ALA 238 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2bs3 h ALA 238 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bs3 h ALA 238 CO 0.00 0.20 -0.25 -0.84 0.00 0.00 0.00 179.25 178.37 2bs3 h ILE 239 N 0.78 1.17 -0.14 0.00 3.07 -1.12 0.38 117.51 121.64 2bs3 h ILE 239 Ca 0.21 -0.84 -0.07 0.00 1.55 0.00 0.00 64.86 65.71 2bs3 h ILE 239 Cb -0.04 1.46 -0.00 0.00 -0.27 0.00 0.00 36.82 37.96 2bs3 h ILE 239 CO -0.04 0.24 -0.17 0.00 -1.05 0.00 0.00 178.15 177.13 2bs3 h ALA 240 N 1.75 0.22 -0.79 0.16 0.00 -1.37 -3.16 119.26 116.07 2bs3 h ALA 240 Ca -0.00 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2bs3 h ALA 240 Cb 0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2bs3 h ALA 240 CO 0.03 0.12 0.52 1.25 0.00 0.00 0.00 179.25 181.17 2bs3 h LEU 241 N -0.01 0.88 0.00 0.00 5.85 -0.49 -2.53 115.31 119.01 2bs3 h LEU 241 Ca 0.02 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bs3 h LEU 241 Cb 0.71 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2bs3 h LEU 241 CO 0.04 0.62 0.00 -0.62 -0.34 0.00 0.00 178.44 178.14 2bs3 n GLU 242 N -4.56 0.46 0.23 1.25 1.02 0.13 -1.78 120.64 117.39 2bs3 n GLU 242 Ca 0.08 0.04 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 2bs3 n GLU 242 Cb 0.04 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.24 2bs3 n GLU 242 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2bs3 h THR 243 N 0.00 0.00 0.00 2.62 1.35 -1.44 -3.47 112.91 111.97 2bs3 h THR 243 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2bs3 h THR 243 Cb 0.04 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2bs3 h THR 243 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2bs3 n GLY 244 N 0.90 0.84 0.70 5.82 0.00 -0.73 -4.80 105.19 107.92 2bs3 n GLY 244 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2bs3 n GLY 244 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bs3 n ILE 245 N -2.12 0.11 -2.12 -0.61 5.41 -1.26 -4.02 119.36 114.75 2bs3 n ILE 245 Ca 0.00 -0.03 -0.37 0.00 1.00 0.00 0.00 62.75 63.35 2bs3 n ILE 245 Cb 0.01 -1.28 0.01 0.00 -0.71 0.00 0.00 39.64 37.66 2bs3 n ILE 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bs3 s ALA 246 N -2.04 2.85 0.17 -1.39 0.00 -1.26 -4.64 121.76 115.45 2bs3 s ALA 246 Ca -0.03 1.02 0.09 0.00 0.00 0.00 0.00 51.96 53.04 2bs3 s ALA 246 Cb 0.01 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2bs3 s ALA 246 CO 0.04 -0.89 -0.13 -0.65 0.00 0.00 0.00 175.76 174.13 2bs3 s GLN 247 N -2.90 1.95 -0.11 0.00 -0.21 -1.26 -4.60 119.66 112.53 2bs3 s GLN 247 Ca 0.68 -1.28 -0.03 0.00 0.02 0.00 0.00 55.36 54.75 2bs3 s GLN 247 Cb -0.31 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 2bs3 s GLN 247 CO 0.36 0.44 0.03 -0.51 -2.12 0.00 0.00 175.29 173.49 2bs3 s LEU 248 N -2.69 3.70 -0.06 2.90 1.43 0.12 -0.73 118.68 123.36 2bs3 s LEU 248 Ca 0.23 0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2bs3 s LEU 248 Cb -0.09 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2bs3 s LEU 248 CO 0.14 0.34 0.05 -0.83 0.23 0.00 0.00 176.35 176.28 2bs3 s GLY 249 N -0.64 1.96 -1.10 -3.19 0.00 0.19 -0.27 107.32 104.26 2bs3 s GLY 249 Ca 0.11 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 44.01 2bs3 s GLY 249 CO 0.02 -0.62 0.01 0.70 0.00 0.00 0.00 173.10 173.21 2bs3 n ASN 250 N 1.72 0.63 0.28 1.64 3.02 0.11 -1.89 115.26 120.77 2bs3 n ASN 250 Ca -0.17 -0.92 0.16 0.00 -0.03 0.00 0.00 54.58 53.63 2bs3 n ASN 250 Cb 0.53 -1.14 0.93 0.00 -0.61 0.00 0.00 39.78 39.50 2bs3 n ASN 250 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2bs3 h MET 251 N -1.00 0.00 0.00 3.52 2.86 -1.84 -0.09 114.93 118.38 2bs3 h MET 251 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2bs3 h MET 251 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2bs3 h MET 251 CO 0.51 0.00 0.00 -0.85 1.06 0.00 0.00 176.91 177.63 2bs3 n GLU 252 N -3.74 0.12 -2.65 1.72 0.00 -1.26 -4.52 120.64 110.31 2bs3 n GLU 252 Ca -0.02 0.22 -0.42 0.00 0.00 0.00 0.00 57.16 56.94 2bs3 n GLU 252 Cb 0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 2bs3 n GLU 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bs3 s ALA 253 N -3.11 2.87 -0.10 -1.84 0.00 -0.05 -4.80 121.76 114.74 2bs3 s ALA 253 Ca 0.09 -2.23 0.04 0.00 0.00 0.00 0.00 51.96 49.86 2bs3 s ALA 253 Cb 0.13 -4.36 -0.01 0.00 0.00 0.00 0.00 23.12 18.88 2bs3 s ALA 253 CO 0.45 -3.40 -0.22 0.08 0.00 0.00 0.00 175.76 172.67 2bs3 s VAL 254 N 4.55 2.29 -0.10 0.00 1.01 -1.26 -2.39 120.40 124.49 2bs3 s VAL 254 Ca 0.41 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2bs3 s VAL 254 Cb -0.03 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2bs3 s VAL 254 CO -0.06 0.56 0.12 -1.58 0.00 0.00 0.00 175.10 174.14 2bs3 s GLN 255 N 0.22 3.35 0.22 2.72 0.74 -0.16 -4.77 119.66 121.98 2bs3 s GLN 255 Ca -0.14 -0.20 0.08 0.00 0.05 0.00 0.00 55.36 55.15 2bs3 s GLN 255 Cb -0.17 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 2bs3 s GLN 255 CO 0.07 0.76 0.06 -0.06 -0.55 0.00 0.00 175.29 175.57 2bs3 s PHE 256 N -1.03 2.89 -0.10 1.67 0.40 -1.26 -0.18 117.98 120.37 2bs3 s PHE 256 Ca 0.16 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2bs3 s PHE 256 Cb -0.12 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.05 2bs3 s PHE 256 CO 0.05 0.55 -0.12 -1.58 0.70 0.00 0.00 175.22 174.82 2bs3 s HIS 257 N -2.02 2.81 0.25 0.36 5.65 0.87 -4.80 115.29 118.42 2bs3 s HIS 257 Ca 0.30 -0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.21 2bs3 s HIS 257 Cb -0.08 -1.78 0.31 0.00 -1.18 0.00 0.00 32.58 29.84 2bs3 s HIS 257 CO 0.21 -0.03 1.66 -1.00 -0.65 0.00 0.00 174.74 174.93 2bs3 h PRO 258 N 6.18 0.54 -1.14 2.88 0.13 -1.86 -0.70 132.00 138.03 2bs3 h PRO 258 Ca -0.34 -0.23 -0.58 0.00 -0.87 0.00 0.00 66.00 63.97 2bs3 h PRO 258 Cb 1.19 -0.02 -0.41 0.00 0.13 0.00 0.00 31.00 31.89 2bs3 h PRO 258 CO 0.55 0.79 -0.60 0.25 -0.23 0.00 0.00 178.00 178.76 2bs3 n THR 259 N -4.08 2.58 -2.04 1.56 -2.24 -1.26 -3.09 114.28 105.71 2bs3 n THR 259 Ca -0.01 -4.45 -0.33 0.00 -2.27 0.00 0.00 64.05 56.99 2bs3 n THR 259 Cb 0.46 -1.20 0.01 0.00 -2.10 0.00 0.00 70.33 67.50 2bs3 n THR 259 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2bs3 s PRO 260 N -3.61 3.32 0.25 -0.78 0.02 -1.25 -3.81 135.00 129.15 2bs3 s PRO 260 Ca 0.51 1.19 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 2bs3 s PRO 260 Cb 0.41 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 32.80 2bs3 s PRO 260 CO -0.08 -0.80 1.37 -1.17 -0.33 0.00 0.00 177.00 175.99 2bs3 s LEU 261 N -4.51 4.41 -0.11 -5.54 2.96 0.15 -3.15 118.68 112.88 2bs3 s LEU 261 Ca 0.63 2.60 -0.04 0.00 -0.22 0.00 0.00 54.13 57.10 2bs3 s LEU 261 Cb -0.16 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 2bs3 s LEU 261 CO 0.37 -0.61 0.04 0.12 -1.32 0.00 0.00 176.35 174.95 2bs3 s PHE 262 N -0.25 3.26 -2.58 5.38 5.36 0.09 0.31 117.98 129.56 2bs3 s PHE 262 Ca 0.56 0.22 0.25 0.00 -0.96 0.00 0.00 56.93 57.00 2bs3 s PHE 262 Cb -0.40 -1.87 0.43 0.00 -0.34 0.00 0.00 43.02 40.84 2bs3 s PHE 262 CO 0.44 0.46 1.39 -0.35 -1.46 0.00 0.00 175.22 175.69 2bs3 n PRO 263 N 2.39 1.81 -0.28 10.12 -0.04 -1.26 -4.72 135.00 143.03 2bs3 n PRO 263 Ca -0.19 -1.37 0.06 0.00 -0.04 0.00 0.00 63.50 61.96 2bs3 n PRO 263 Cb 0.54 -1.47 0.28 0.00 -0.04 0.00 0.00 33.50 32.81 2bs3 n PRO 263 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bs3 h SER 264 N 3.35 0.82 0.00 3.54 4.64 -1.96 -3.46 113.55 120.48 2bs3 h SER 264 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2bs3 h SER 264 Cb 0.78 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2bs3 h SER 264 CO 0.00 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 2bs3 n GLY 265 N -1.41 0.70 3.71 -0.77 0.00 0.15 -4.84 105.19 102.74 2bs3 n GLY 265 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2bs3 n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs3 s ILE 266 N -2.70 2.93 0.25 -0.61 1.01 -1.24 -4.22 121.20 116.63 2bs3 s ILE 266 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 2bs3 s ILE 266 Cb 0.00 -3.39 -0.09 0.00 0.01 0.00 0.00 42.46 38.99 2bs3 s ILE 266 CO 0.00 0.03 1.16 -0.22 0.00 0.00 0.00 174.94 175.91 2bs3 s LEU 267 N 1.54 4.50 -0.47 2.97 2.96 -1.26 0.31 118.68 129.23 2bs3 s LEU 267 Ca 0.69 2.31 -0.00 0.00 -0.22 0.00 0.00 54.13 56.91 2bs3 s LEU 267 Cb -0.41 -3.62 0.13 0.00 0.50 0.00 0.00 46.19 42.79 2bs3 s LEU 267 CO 0.31 -0.27 0.25 -0.76 -1.32 0.00 0.00 176.35 174.55 2bs3 s LEU 268 N -1.07 5.00 0.17 -0.68 1.43 -1.25 -4.86 118.68 117.42 2bs3 s LEU 268 Ca 0.48 -2.45 -0.10 0.00 -1.03 0.00 0.00 54.13 51.03 2bs3 s LEU 268 Cb -0.33 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 2bs3 s LEU 268 CO 0.41 -0.41 0.06 1.07 0.23 0.00 0.00 176.35 177.71 2bs3 n THR 269 N 3.97 0.36 0.13 5.49 5.66 -1.26 -4.79 114.28 123.84 2bs3 n THR 269 Ca 0.03 -0.22 0.15 0.00 -3.05 0.00 0.00 64.05 60.96 2bs3 n THR 269 Cb 0.39 0.00 0.69 0.00 -1.55 0.00 0.00 70.33 69.86 2bs3 n THR 269 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2bs3 h GLU 270 N 0.18 0.00 -0.09 1.09 4.81 -1.98 -2.27 114.58 116.32 2bs3 h GLU 270 Ca -0.16 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2bs3 h GLU 270 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2bs3 h GLU 270 CO 0.21 0.00 0.40 0.78 -0.73 0.00 0.00 179.01 179.67 2bs3 h GLY 271 N 0.00 0.00 0.97 1.92 0.00 -1.93 -2.01 103.07 102.02 2bs3 h GLY 271 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2bs3 h GLY 271 CO -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.15 2bs3 h ARG 273 N -1.13 0.00 -0.03 0.00 3.08 -1.67 0.89 114.38 115.51 2bs3 h ARG 273 Ca -0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 2bs3 h ARG 273 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2bs3 h ARG 273 CO 0.18 0.54 -0.34 0.78 -1.07 0.00 0.00 179.97 180.06 2bs3 h GLY 274 N 1.74 0.06 1.51 0.04 0.00 -1.23 -2.86 103.07 102.33 2bs3 h GLY 274 Ca -0.01 -0.05 -0.26 0.00 0.00 0.00 0.00 47.33 47.02 2bs3 h GLY 274 CO 0.07 0.04 -1.34 -0.55 0.00 0.00 0.00 176.54 174.77 2bs3 h ASP 275 N 0.05 0.14 0.00 0.19 5.19 -0.34 -3.47 116.42 118.17 2bs3 h ASP 275 Ca 0.00 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2bs3 h ASP 275 Cb 0.63 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2bs3 h ASP 275 CO 0.05 1.15 0.00 0.61 -3.12 0.00 0.00 179.24 177.93 2bs3 n GLY 276 N 1.50 -0.38 3.72 2.75 0.00 -0.77 -5.03 105.19 106.98 2bs3 n GLY 276 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2bs3 n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 277 N 0.00 0.85 3.41 -0.02 0.00 0.30 -4.84 105.19 104.89 2bs3 n GLY 277 Ca 0.00 0.34 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 2bs3 n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs3 s ILE 278 N -0.91 3.08 -0.16 -0.61 -1.09 0.77 -4.55 121.20 117.73 2bs3 s ILE 278 Ca 0.57 -0.67 -0.18 0.00 -2.23 0.00 0.00 60.65 58.14 2bs3 s ILE 278 Cb -0.54 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 2bs3 s ILE 278 CO 0.60 0.54 0.46 -0.76 -1.23 0.00 0.00 174.94 174.56 2bs3 s LEU 279 N 0.02 4.21 0.15 2.97 1.43 -1.26 0.75 118.68 126.95 2bs3 s LEU 279 Ca -0.04 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.83 2bs3 s LEU 279 Cb -0.14 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2bs3 s LEU 279 CO 0.04 -0.06 -0.16 -0.13 0.23 0.00 0.00 176.35 176.27 2bs3 s ARG 280 N 1.05 1.17 0.00 1.70 0.52 -0.42 -3.46 118.95 119.51 2bs3 s ARG 280 Ca 0.23 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2bs3 s ARG 280 Cb -0.15 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 34.20 2bs3 s ARG 280 CO 0.09 0.22 0.00 -0.40 0.02 0.00 0.00 175.30 175.23 2bs3 n ASP 281 N 0.32 0.07 0.17 0.23 5.68 -0.73 -1.20 116.55 121.09 2bs3 n ASP 281 Ca -0.14 -0.47 0.17 0.00 -0.50 0.00 0.00 54.79 53.85 2bs3 n ASP 281 Cb 0.57 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.34 2bs3 n ASP 281 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 2bs3 h VAL 282 N 0.02 0.58 -0.53 2.12 3.04 -1.64 -0.52 116.25 119.32 2bs3 h VAL 282 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2bs3 h VAL 282 Cb 0.00 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 2bs3 h VAL 282 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 2bs3 n ASP 283 N -3.99 3.47 0.00 3.17 8.00 -1.26 -4.91 116.55 121.03 2bs3 n ASP 283 Ca 0.03 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.54 2bs3 n ASP 283 Cb 0.35 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2bs3 n ASP 283 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs3 n GLY 284 N 1.53 0.64 3.70 0.44 0.00 -0.20 -5.00 105.19 106.30 2bs3 n GLY 284 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2bs3 n GLY 284 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bs3 s HIS 285 N -2.58 3.43 -0.67 1.61 5.04 -1.26 -4.67 115.29 116.20 2bs3 s HIS 285 Ca 0.00 1.40 -0.27 0.00 -1.54 0.00 0.00 55.06 54.65 2bs3 s HIS 285 Cb 0.00 -3.33 0.01 0.00 0.04 0.00 0.00 32.58 29.30 2bs3 s HIS 285 CO 0.00 -0.90 1.49 0.50 -2.34 0.00 0.00 174.74 173.49 2bs3 s ARG 286 N 1.42 3.03 0.14 2.88 3.52 -1.26 -1.77 118.95 126.90 2bs3 s ARG 286 Ca 0.56 0.14 0.21 0.00 -0.13 0.00 0.00 55.73 56.50 2bs3 s ARG 286 Cb -0.25 -4.24 -0.06 0.00 -1.56 0.00 0.00 34.95 28.84 2bs3 s ARG 286 CO 0.26 -2.30 0.94 1.97 -0.81 0.00 0.00 175.30 175.36 2bs3 n PHE 287 N 10.48 0.93 -0.29 5.12 1.16 -1.22 -4.38 117.46 129.26 2bs3 n PHE 287 Ca 0.10 0.28 0.03 0.00 -1.87 0.00 0.00 57.45 56.00 2bs3 n PHE 287 Cb 0.50 -0.99 0.17 0.00 -1.61 0.00 0.00 39.48 37.55 2bs3 n PHE 287 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 2bs3 h MET 288 N 0.00 0.74 -0.23 3.97 2.86 -1.89 -0.53 114.93 119.85 2bs3 h MET 288 Ca -0.06 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2bs3 h MET 288 Cb 1.20 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 2bs3 h MET 288 CO 0.02 0.49 0.19 -1.35 1.06 0.00 0.00 176.91 177.32 2bs3 h PRO 289 N 0.76 0.00 -0.26 -0.22 0.11 -1.77 0.35 132.00 130.97 2bs3 h PRO 289 Ca 0.40 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.41 2bs3 h PRO 289 Cb 0.39 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2bs3 h PRO 289 CO -0.26 0.00 -0.25 -0.44 -0.21 0.00 0.00 178.00 176.84 2bs3 h ASP 290 N 0.00 0.49 0.21 -2.05 3.32 -1.35 -2.52 116.42 114.53 2bs3 h ASP 290 Ca 0.11 -0.17 -0.34 0.00 0.02 0.00 0.00 57.03 56.65 2bs3 h ASP 290 Cb 0.49 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 2bs3 h ASP 290 CO -0.00 0.74 -2.09 -1.22 -1.72 0.00 0.00 179.24 174.95 2bs3 n TYR 291 N -4.12 0.49 -3.56 4.55 4.02 -0.35 -4.67 117.16 113.51 2bs3 n TYR 291 Ca -0.00 0.17 -0.27 0.00 -0.01 0.00 0.00 57.90 57.78 2bs3 n TYR 291 Cb 0.40 -1.09 -0.10 0.00 -0.02 0.00 0.00 39.34 38.54 2bs3 n TYR 291 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2bs3 n GLU 292 N -2.95 1.24 -0.30 -0.72 -0.58 0.11 -4.97 120.64 112.46 2bs3 n GLU 292 Ca -0.27 -3.91 0.11 0.00 -0.42 0.00 0.00 57.16 52.67 2bs3 n GLU 292 Cb 1.10 -1.93 0.28 0.00 -0.57 0.00 0.00 31.44 30.32 2bs3 n GLU 292 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2bs3 h PRO 293 N 5.09 0.47 0.00 3.49 0.11 -1.66 0.33 132.00 139.83 2bs3 h PRO 293 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2bs3 h PRO 293 Cb 0.81 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2bs3 h PRO 293 CO 0.59 0.31 0.00 -1.91 -0.21 0.00 0.00 178.00 176.78 2bs3 n GLU 294 N -4.98 0.00 -0.19 1.05 2.13 -1.26 -4.50 120.64 112.89 2bs3 n GLU 294 Ca 0.20 0.45 -0.09 0.00 0.66 0.00 0.00 57.16 58.38 2bs3 n GLU 294 Cb 0.58 -1.00 0.01 0.00 0.27 0.00 0.00 31.44 31.30 2bs3 n GLU 294 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2bs3 h LYS 295 N 0.00 0.94 0.00 5.31 1.63 -1.94 -3.48 116.57 119.03 2bs3 h LYS 295 Ca 0.00 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2bs3 h LYS 295 Cb 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 2bs3 h LYS 295 CO 0.00 0.93 0.00 1.63 -3.45 0.00 0.00 179.45 178.56 2bs3 n LYS 296 N -4.30 0.00 0.09 1.90 5.02 0.12 -2.05 118.16 118.93 2bs3 n LYS 296 Ca 0.02 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.48 2bs3 n LYS 296 Cb 0.31 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 36.02 2bs3 n LYS 296 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2bs3 h GLU 297 N 0.00 0.00 -0.73 1.97 3.07 -1.87 -1.78 114.58 115.25 2bs3 h GLU 297 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2bs3 h GLU 297 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2bs3 h GLU 297 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 2bs3 n LEU 298 N -4.29 1.07 -4.67 1.33 4.77 -0.87 -4.88 117.00 109.46 2bs3 n LEU 298 Ca 0.06 -0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 55.21 2bs3 n LEU 298 Cb 0.46 -0.39 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 2bs3 n LEU 298 CO 0.34 0.22 0.64 0.00 -1.33 0.00 0.00 177.39 177.27 2bs3 s ALA 299 N -1.34 0.92 0.33 -1.18 0.00 -0.67 -4.93 121.76 114.89 2bs3 s ALA 299 Ca 0.04 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 2bs3 s ALA 299 Cb 0.03 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 19.97 2bs3 s ALA 299 CO 0.01 -2.97 1.37 0.45 0.00 0.00 0.00 175.76 174.62 2bs3 n SER 300 N -4.27 3.02 -0.26 0.00 2.88 -1.26 -4.73 113.62 108.99 2bs3 n SER 300 Ca 0.07 1.20 0.19 0.00 -1.33 0.00 0.00 58.87 58.99 2bs3 n SER 300 Cb 0.58 -1.51 0.49 0.00 -0.75 0.00 0.00 64.21 63.02 2bs3 n SER 300 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2bs3 h ARG 301 N 3.06 0.44 -0.54 -1.46 3.08 -1.94 0.27 114.38 117.29 2bs3 h ARG 301 Ca -0.47 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.57 2bs3 h ARG 301 Cb 1.27 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2bs3 h ARG 301 CO 0.66 0.29 0.34 0.22 -1.07 0.00 0.00 179.97 180.41 2bs3 h ASP 302 N 0.45 0.57 -0.30 7.04 3.58 -1.92 -2.29 116.42 123.56 2bs3 h ASP 302 Ca 0.49 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.81 2bs3 h ASP 302 Cb 1.16 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2bs3 h ASP 302 CO -0.21 0.40 -0.30 0.58 -2.88 0.00 0.00 179.24 176.84 2bs3 h VAL 303 N 0.68 1.30 -0.51 2.25 2.07 -0.86 -3.11 116.25 118.07 2bs3 h VAL 303 Ca 0.21 -1.47 0.05 0.00 0.82 0.00 0.00 66.70 66.31 2bs3 h VAL 303 Cb -0.03 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2bs3 h VAL 303 CO -0.07 0.47 0.25 0.58 0.02 0.00 0.00 177.57 178.82 2bs3 h VAL 304 N 0.48 0.95 -0.56 2.57 2.07 -0.99 -0.78 116.25 119.99 2bs3 h VAL 304 Ca 0.05 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2bs3 h VAL 304 Cb 0.87 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2bs3 h VAL 304 CO 0.07 0.09 0.31 0.28 0.02 0.00 0.00 177.57 178.34 2bs3 h SER 305 N 0.49 0.47 -0.17 0.57 0.02 -1.44 -0.27 113.55 113.21 2bs3 h SER 305 Ca 0.23 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2bs3 h SER 305 Cb 0.14 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2bs3 h SER 305 CO -0.16 0.32 0.07 0.03 -1.14 0.00 0.00 176.83 175.94 2bs3 h ARG 306 N 0.59 0.25 -0.90 3.45 3.08 -1.35 -2.41 114.38 117.09 2bs3 h ARG 306 Ca 0.24 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.27 2bs3 h ARG 306 Cb 0.11 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 2bs3 h ARG 306 CO -0.14 0.33 0.59 0.00 -1.07 0.00 0.00 179.97 179.68 2bs3 h ARG 307 N 0.12 1.13 -0.61 0.04 2.47 -0.83 -0.18 114.38 116.53 2bs3 h ARG 307 Ca 0.06 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 2bs3 h ARG 307 Cb 0.17 -0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 2bs3 h ARG 307 CO -0.00 0.75 0.39 0.52 0.56 0.00 0.00 179.97 182.18 2bs3 h MET 308 N 1.17 0.76 -0.45 0.04 2.86 -0.87 0.15 114.93 118.59 2bs3 h MET 308 Ca 0.35 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.80 2bs3 h MET 308 Cb -0.04 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2bs3 h MET 308 CO -0.10 0.50 -0.28 0.82 1.06 0.00 0.00 176.91 178.90 2bs3 h ILE 309 N 0.78 1.27 -0.28 -1.22 1.08 -0.91 -2.05 117.51 116.18 2bs3 h ILE 309 Ca 0.23 -1.45 0.01 0.00 -0.39 0.00 0.00 64.86 63.25 2bs3 h ILE 309 Cb -0.04 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 2bs3 h ILE 309 CO -0.07 0.50 0.18 -0.33 -0.69 0.00 0.00 178.15 177.73 2bs3 h GLU 310 N 0.83 0.35 -0.82 2.37 5.08 -0.52 -0.44 114.58 121.42 2bs3 h GLU 310 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2bs3 h GLU 310 Cb 0.87 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2bs3 h GLU 310 CO 0.08 0.23 0.52 1.25 -1.00 0.00 0.00 179.01 180.09 2bs3 h HIS 311 N 0.36 1.06 -0.46 4.33 2.76 -0.59 -1.61 115.15 121.01 2bs3 h HIS 311 Ca 0.10 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 2bs3 h HIS 311 Cb -0.03 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.56 2bs3 h HIS 311 CO -0.06 0.69 -0.17 0.82 -1.30 0.00 0.00 177.93 177.90 2bs3 h ILE 312 N 1.13 1.27 0.00 6.26 2.04 -0.94 -2.60 117.51 124.66 2bs3 h ILE 312 Ca 0.30 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2bs3 h ILE 312 Cb -0.09 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2bs3 h ILE 312 CO -0.06 0.45 0.00 0.03 0.00 0.00 0.00 178.15 178.57 2bs3 h ARG 313 N 0.76 0.00 -0.06 2.37 3.08 -0.43 -0.33 114.38 119.77 2bs3 h ARG 313 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2bs3 h ARG 313 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2bs3 h ARG 313 CO 0.06 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.59 2bs3 n LYS 314 N -2.94 1.26 -0.78 0.04 5.02 -0.67 -4.88 118.16 115.22 2bs3 n LYS 314 Ca -0.00 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 2bs3 n LYS 314 Cb 0.23 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2bs3 n LYS 314 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bs3 n GLY 315 N 0.90 0.53 1.34 0.72 0.00 -0.14 -4.96 105.19 103.59 2bs3 n GLY 315 Ca 0.14 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.57 2bs3 n GLY 315 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bs3 n LYS 316 N -2.78 3.36 -2.03 1.61 3.00 -1.03 -4.99 118.16 115.30 2bs3 n LYS 316 Ca 0.00 -2.72 -0.30 0.00 -0.00 0.00 0.00 58.31 55.29 2bs3 n LYS 316 Cb 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 35.03 33.32 2bs3 n LYS 316 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2bs3 s GLY 317 N -1.03 1.62 -0.13 3.14 0.00 -1.26 -1.88 107.32 107.78 2bs3 s GLY 317 Ca 0.46 -0.29 -0.19 0.00 0.00 0.00 0.00 44.72 44.70 2bs3 s GLY 317 CO 0.24 0.00 0.52 0.14 0.00 0.00 0.00 173.10 174.00 2bs3 s VAL 318 N -3.16 5.14 0.24 1.40 1.01 0.12 -4.63 120.40 120.52 2bs3 s VAL 318 Ca 0.55 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 2bs3 s VAL 318 Cb -0.11 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2bs3 s VAL 318 CO 0.51 0.27 1.08 -1.10 0.00 0.00 0.00 175.10 175.87 2bs3 s GLN 319 N 0.93 4.65 0.02 2.72 -1.52 -1.26 -1.74 119.66 123.45 2bs3 s GLN 319 Ca 0.27 1.74 -0.14 0.00 -1.95 0.00 0.00 55.36 55.29 2bs3 s GLN 319 Cb -0.16 -3.23 0.02 0.00 -0.22 0.00 0.00 33.01 29.42 2bs3 s GLN 319 CO 0.11 0.20 0.29 0.45 -0.25 0.00 0.00 175.29 176.09 2bs3 s SER 320 N -0.64 -0.13 0.00 5.90 0.15 -0.93 -4.96 113.70 113.09 2bs3 s SER 320 Ca 0.46 -0.12 0.07 0.00 0.70 0.00 0.00 55.95 57.06 2bs3 s SER 320 Cb -0.30 0.33 0.32 0.00 -1.71 0.00 0.00 66.02 64.66 2bs3 s SER 320 CO 0.38 -0.55 1.24 -0.81 1.20 0.00 0.00 173.24 174.69 2bs3 n PRO 321 N 0.82 0.00 0.00 5.44 -0.04 -1.26 -1.21 135.00 138.75 2bs3 n PRO 321 Ca -0.20 0.37 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2bs3 n PRO 321 Cb 0.58 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2bs3 n PRO 321 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bs3 n TYR 322 N -1.50 0.00 0.00 0.54 4.01 -1.26 -5.09 117.16 113.86 2bs3 n TYR 322 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2bs3 n TYR 322 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2bs3 n TYR 322 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bs3 n GLY 323 N 0.95 0.73 3.84 2.72 0.00 -0.35 -5.07 105.19 108.01 2bs3 n GLY 323 Ca 0.07 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 2bs3 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bs3 s GLN 324 N -0.87 4.03 0.30 1.61 -0.21 -1.26 -2.20 119.66 121.07 2bs3 s GLN 324 Ca 0.00 0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.95 2bs3 s GLN 324 Cb 0.00 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 31.08 2bs3 s GLN 324 CO 0.00 0.47 0.39 -2.39 -2.12 0.00 0.00 175.29 171.64 2bs3 n HIS 325 N 0.83 -1.20 -4.36 0.91 1.44 -0.71 -4.91 115.22 107.21 2bs3 n HIS 325 Ca -0.05 -2.12 -0.17 0.00 -2.01 0.00 0.00 57.72 53.37 2bs3 n HIS 325 Cb 0.52 0.44 -0.04 0.00 0.12 0.00 0.00 29.99 31.02 2bs3 n HIS 325 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2bs3 n LEU 326 N 0.00 0.00 -4.44 2.39 4.77 -0.11 0.15 117.00 119.76 2bs3 n LEU 326 Ca 0.02 -1.87 -0.30 0.00 -0.03 0.00 0.00 56.01 53.83 2bs3 n LEU 326 Cb 0.51 0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 41.92 2bs3 n LEU 326 CO 0.26 -0.28 -0.52 0.26 -1.33 0.00 0.00 177.39 175.78 2bs3 s TRP 327 N -2.30 2.45 -0.22 -1.77 0.52 -0.34 -1.13 118.94 116.15 2bs3 s TRP 327 Ca 0.07 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.90 2bs3 s TRP 327 Cb 0.00 -1.34 0.04 0.00 -1.15 0.00 0.00 33.47 31.03 2bs3 s TRP 327 CO 0.05 0.33 -0.15 -1.17 0.02 0.00 0.00 176.95 176.03 2bs3 s LEU 328 N -1.94 2.77 -0.34 2.99 2.96 0.55 -1.31 118.68 124.37 2bs3 s LEU 328 Ca 0.16 -1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 52.94 2bs3 s LEU 328 Cb -0.10 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.10 2bs3 s LEU 328 CO 0.07 -0.10 0.17 -0.62 -1.32 0.00 0.00 176.35 174.56 2bs3 s ASP 329 N 1.21 5.62 0.00 3.68 2.15 0.23 -1.40 116.67 128.16 2bs3 s ASP 329 Ca -0.02 -0.72 0.05 0.00 0.43 0.00 0.00 52.55 52.28 2bs3 s ASP 329 Cb -0.17 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2bs3 s ASP 329 CO -0.09 -0.27 0.45 2.30 -0.17 0.00 0.00 175.17 177.39 2bs3 n ILE 330 N 4.99 0.00 -0.26 4.11 -5.35 -1.26 -0.16 119.36 121.42 2bs3 n ILE 330 Ca -0.13 -0.46 0.02 0.00 -0.27 0.00 0.00 62.75 61.91 2bs3 n ILE 330 Cb 0.48 1.06 0.24 0.00 -1.74 0.00 0.00 39.64 39.67 2bs3 n ILE 330 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2bs3 h SER 331 N 0.54 0.90 0.00 7.28 4.64 -1.83 -1.49 113.55 123.58 2bs3 h SER 331 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2bs3 h SER 331 Cb 0.16 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2bs3 h SER 331 CO 0.00 0.62 0.30 0.16 -0.87 0.00 0.00 176.83 177.03 2bs3 h ILE 332 N 1.04 0.00 -0.00 0.95 -0.00 -1.89 0.30 117.51 117.91 2bs3 h ILE 332 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.19 2bs3 h ILE 332 Cb 0.03 0.40 0.00 0.00 -0.00 0.00 0.00 36.82 37.25 2bs3 h ILE 332 CO -0.10 0.00 -0.07 0.18 -0.00 0.00 0.00 178.15 178.16 2bs3 n LEU 333 N -2.30 0.12 0.00 0.16 4.77 -0.56 -5.01 117.00 114.18 2bs3 n LEU 333 Ca -0.01 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2bs3 n LEU 333 Cb 0.33 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2bs3 n LEU 333 CO 0.08 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2bs3 n GLY 334 N 1.40 -0.98 0.37 -0.72 0.00 0.11 -4.28 105.19 101.09 2bs3 n GLY 334 Ca 0.10 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 45.05 2bs3 n GLY 334 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2bs3 h ARG 335 N 0.00 0.65 0.33 1.61 2.43 -1.86 -2.03 114.38 115.51 2bs3 h ARG 335 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2bs3 h ARG 335 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2bs3 h ARG 335 CO 0.00 0.43 -0.18 0.87 -1.51 0.00 0.00 179.97 179.58 2bs3 h LYS 336 N 0.67 -0.46 -0.44 0.20 1.57 -1.97 -1.83 116.57 114.32 2bs3 h LYS 336 Ca 0.51 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.36 2bs3 h LYS 336 Cb 0.90 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 2bs3 h LYS 336 CO -0.27 -0.30 0.22 1.25 -0.57 0.00 0.00 179.45 179.77 2bs3 h HIS 337 N -0.47 0.40 -0.36 -1.35 2.76 -1.57 -2.73 115.15 111.82 2bs3 h HIS 337 Ca -0.04 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2bs3 h HIS 337 Cb 0.37 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 2bs3 h HIS 337 CO -0.07 0.20 0.21 0.82 -1.30 0.00 0.00 177.93 177.79 2bs3 h ILE 338 N 0.43 1.04 0.00 6.26 2.04 -1.29 0.11 117.51 126.10 2bs3 h ILE 338 Ca 0.19 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2bs3 h ILE 338 Cb 0.11 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2bs3 h ILE 338 CO -0.14 0.08 0.00 -0.62 0.00 0.00 0.00 178.15 177.47 2bs3 n GLU 339 N -4.88 0.56 -0.01 2.37 1.02 -0.70 -0.72 120.64 118.28 2bs3 n GLU 339 Ca 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 2bs3 n GLU 339 Cb 0.05 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 2bs3 n GLU 339 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2bs3 n THR 340 N -1.18 0.19 0.02 2.62 -2.24 -1.02 -4.46 114.28 108.21 2bs3 n THR 340 Ca 0.16 -0.14 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2bs3 n THR 340 Cb 0.17 -0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 2bs3 n THR 340 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2bs3 n ASN 341 N -2.02 3.26 -2.28 3.42 3.02 0.33 -4.73 115.26 116.27 2bs3 n ASN 341 Ca -0.05 -0.16 -0.05 0.00 -0.03 0.00 0.00 54.58 54.29 2bs3 n ASN 341 Cb 0.50 1.05 0.05 0.00 -0.61 0.00 0.00 39.78 40.76 2bs3 n ASN 341 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bs3 n LEU 342 N -1.39 2.44 0.23 3.41 4.32 0.11 -4.85 117.00 121.26 2bs3 n LEU 342 Ca -0.00 -3.39 0.10 0.00 -0.02 0.00 0.00 56.01 52.70 2bs3 n LEU 342 Cb 0.03 0.13 0.66 0.00 -1.62 0.00 0.00 43.42 42.62 2bs3 n LEU 342 CO 0.03 1.26 1.09 -0.09 -1.22 0.00 0.00 177.39 178.46 2bs3 h ARG 343 N 2.16 0.00 -0.01 3.23 2.43 -1.35 -2.26 114.38 118.57 2bs3 h ARG 343 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2bs3 h ARG 343 Cb 1.41 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.96 2bs3 h ARG 343 CO 0.31 0.00 -0.01 0.22 -1.51 0.00 0.00 179.97 178.98 2bs3 h ASP 344 N 0.00 0.03 -0.31 -3.80 3.58 -1.89 -2.77 116.42 111.27 2bs3 h ASP 344 Ca 0.03 -0.46 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 2bs3 h ASP 344 Cb 0.14 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2bs3 h ASP 344 CO -0.00 0.48 0.12 1.62 -2.88 0.00 0.00 179.24 178.58 2bs3 h VAL 345 N -0.43 1.16 -0.70 2.25 3.04 -1.84 -2.20 116.25 117.53 2bs3 h VAL 345 Ca 0.00 -0.52 -0.03 0.00 -1.01 0.00 0.00 66.70 65.14 2bs3 h VAL 345 Cb 0.47 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 2bs3 h VAL 345 CO 0.00 0.20 0.32 -0.61 -1.01 0.00 0.00 177.57 176.46 2bs3 h GLN 346 N 0.53 1.02 -0.30 4.17 4.15 -1.39 -2.47 115.11 120.81 2bs3 h GLN 346 Ca 0.13 -0.16 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 2bs3 h GLN 346 Cb 0.15 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2bs3 h GLN 346 CO -0.01 0.82 -0.20 0.93 -1.93 0.00 0.00 178.83 178.44 2bs3 h GLU 347 N 0.98 0.55 0.41 1.69 5.08 -1.12 -2.77 114.58 119.41 2bs3 h GLU 347 Ca 0.24 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2bs3 h GLU 347 Cb 0.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2bs3 h GLU 347 CO -0.03 0.72 -0.20 0.82 -1.00 0.00 0.00 179.01 179.33 2bs3 h ILE 348 N 0.49 0.59 -0.06 3.13 1.08 -1.08 0.24 117.51 121.91 2bs3 h ILE 348 Ca 0.08 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 2bs3 h ILE 348 Cb 0.62 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2bs3 h ILE 348 CO 0.04 0.04 0.05 0.00 -0.69 0.00 0.00 178.15 177.59 2bs3 h GLU 350 N 0.00 0.00 0.00 0.00 5.08 -1.23 1.18 114.58 119.60 2bs3 h GLU 350 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2bs3 h GLU 350 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2bs3 h GLU 350 CO -0.00 0.73 -0.08 1.88 -1.00 0.00 0.00 179.01 180.54 2bs3 h TYR 351 N -1.00 0.00 0.00 4.33 0.05 -0.37 -2.47 116.97 117.51 2bs3 h TYR 351 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2bs3 h TYR 351 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 2bs3 h TYR 351 CO 0.11 0.08 -0.84 1.19 -1.05 0.00 0.00 178.16 177.65 2bs3 n PHE 352 N -3.78 -0.01 0.43 4.88 3.01 -0.28 -4.75 117.46 116.96 2bs3 n PHE 352 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 2bs3 n PHE 352 Cb 0.18 0.06 0.37 0.00 -0.01 0.00 0.00 39.48 40.08 2bs3 n PHE 352 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2bs3 h ALA 353 N 0.00 1.00 -5.26 4.37 0.00 -1.35 -3.47 119.26 114.54 2bs3 h ALA 353 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2bs3 h ALA 353 Cb 0.84 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.76 2bs3 h ALA 353 CO 0.00 0.00 -0.60 0.41 0.00 0.00 0.00 179.25 179.06 2bs3 n GLY 354 N 0.93 -0.36 3.09 0.00 0.00 0.37 -4.91 105.19 104.31 2bs3 n GLY 354 Ca 0.04 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2bs3 n GLY 354 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bs3 s ILE 355 N -3.28 0.08 -0.48 -0.61 -4.36 0.95 -4.92 121.20 108.59 2bs3 s ILE 355 Ca 0.49 -0.70 -0.21 0.00 -0.26 0.00 0.00 60.65 59.98 2bs3 s ILE 355 Cb -0.22 -0.41 0.04 0.00 1.25 0.00 0.00 42.46 43.12 2bs3 s ILE 355 CO 0.64 -0.38 0.68 -0.62 0.24 0.00 0.00 174.94 175.50 2bs3 s ASP 356 N -1.37 6.30 0.54 4.36 2.15 -1.26 -2.81 116.67 124.58 2bs3 s ASP 356 Ca -0.15 -0.52 0.29 0.00 0.43 0.00 0.00 52.55 52.61 2bs3 s ASP 356 Cb -0.08 -2.33 1.45 0.00 -0.30 0.00 0.00 42.92 41.67 2bs3 s ASP 356 CO 0.01 -0.88 1.93 1.55 -0.17 0.00 0.00 175.17 177.61 2bs3 h PRO 357 N 8.98 0.00 0.00 4.34 0.13 -1.84 0.36 132.00 143.97 2bs3 h PRO 357 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2bs3 h PRO 357 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2bs3 h PRO 357 CO 0.94 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 2bs3 n ALA 358 N -2.66 2.18 0.04 -0.56 0.00 -1.26 -2.95 120.51 115.30 2bs3 n ALA 358 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2bs3 n ALA 358 Cb 0.80 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2bs3 n ALA 358 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2bs3 n GLU 359 N -1.01 0.00 -4.06 0.00 1.02 0.10 -4.76 120.64 111.92 2bs3 n GLU 359 Ca 0.14 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.02 2bs3 n GLU 359 Cb 0.07 -0.14 -0.05 0.00 -0.02 0.00 0.00 31.44 31.29 2bs3 n GLU 359 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2bs3 s LYS 360 N -2.00 2.97 0.33 3.49 1.02 0.30 -4.94 119.74 120.91 2bs3 s LYS 360 Ca 0.00 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 54.95 2bs3 s LYS 360 Cb 0.00 -2.69 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 2bs3 s LYS 360 CO 0.00 0.49 0.84 -1.58 -0.92 0.00 0.00 175.35 174.17 2bs3 s TRP 361 N -1.76 3.49 -0.13 3.18 0.51 -1.26 -4.23 118.94 118.74 2bs3 s TRP 361 Ca 0.31 1.49 -0.12 0.00 -2.12 0.00 0.00 56.10 55.66 2bs3 s TRP 361 Cb -0.10 -2.72 -0.05 0.00 -0.81 0.00 0.00 33.47 29.79 2bs3 s TRP 361 CO 0.24 0.12 0.27 0.00 -0.51 0.00 0.00 176.95 177.08 2bs3 s ALA 362 N -1.85 3.67 0.10 0.98 0.00 -0.49 -4.87 121.76 119.30 2bs3 s ALA 362 Ca 0.53 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2bs3 s ALA 362 Cb -0.13 -2.30 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 2bs3 s ALA 362 CO 0.18 0.26 1.18 -1.25 0.00 0.00 0.00 175.76 176.13 2bs3 s PRO 363 N -0.09 4.47 0.09 0.00 0.04 -1.26 -0.33 135.00 137.92 2bs3 s PRO 363 Ca 0.17 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2bs3 s PRO 363 Cb -0.13 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2bs3 s PRO 363 CO 0.05 -0.17 -0.03 0.14 0.04 0.00 0.00 177.00 177.02 2bs3 s VAL 364 N 0.70 0.44 -0.28 -0.36 -7.23 -0.28 -0.73 120.40 112.65 2bs3 s VAL 364 Ca 0.56 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 58.60 2bs3 s VAL 364 Cb -0.30 -1.69 0.10 0.00 0.56 0.00 0.00 36.38 35.06 2bs3 s VAL 364 CO 0.31 -0.85 0.89 -0.22 -0.31 0.00 0.00 175.10 174.92 2bs3 s LEU 365 N -3.00 -0.59 0.32 1.32 2.96 -1.19 -0.93 118.68 117.57 2bs3 s LEU 365 Ca 0.12 1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 54.87 2bs3 s LEU 365 Cb 0.07 2.13 -0.11 0.00 0.50 0.00 0.00 46.19 48.78 2bs3 s LEU 365 CO -0.06 -0.19 1.51 -2.84 -1.32 0.00 0.00 176.35 173.45 2bs3 s PRO 366 N 0.38 4.15 0.05 0.98 0.02 -1.18 -3.81 135.00 135.59 2bs3 s PRO 366 Ca 0.01 2.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.53 2bs3 s PRO 366 Cb -0.05 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 2bs3 s PRO 366 CO -0.04 -0.53 -0.01 -1.64 -0.33 0.00 0.00 177.00 174.44 2bs3 s MET 367 N -1.18 0.60 0.32 5.54 -1.94 -0.27 -4.92 119.30 117.44 2bs3 s MET 367 Ca 0.58 -1.14 -0.29 0.00 -1.71 0.00 0.00 55.69 53.13 2bs3 s MET 367 Cb -0.46 0.21 -0.12 0.00 2.01 0.00 0.00 34.83 36.47 2bs3 s MET 367 CO 0.53 -0.11 1.33 0.94 -0.01 0.00 0.00 175.02 177.70 2bs3 n GLN 368 N 0.25 2.13 0.00 2.03 0.00 -1.07 -0.09 117.38 120.63 2bs3 n GLN 368 Ca -0.15 0.75 0.00 0.00 -0.00 0.00 0.00 57.00 57.60 2bs3 n GLN 368 Cb 0.60 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.49 2bs3 n GLN 368 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2bs3 n HIS 369 N 0.75 0.00 -4.19 3.69 -0.00 0.75 -1.31 115.22 114.90 2bs3 n HIS 369 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.62 2bs3 n HIS 369 Cb 0.35 0.22 -0.13 0.00 -0.00 0.00 0.00 29.99 30.44 2bs3 n HIS 369 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2bs3 s TYR 370 N -1.70 0.88 -0.51 1.57 5.04 -0.86 -4.74 117.35 117.03 2bs3 s TYR 370 Ca 0.00 -0.36 -0.08 0.00 -2.44 0.00 0.00 57.07 54.19 2bs3 s TYR 370 Cb 0.00 -0.52 0.13 0.00 0.35 0.00 0.00 41.96 41.92 2bs3 s TYR 370 CO 0.00 -0.01 0.36 -1.12 -1.34 0.00 0.00 175.55 173.44 2bs3 s SER 371 N -1.15 5.64 0.23 4.32 0.01 -1.26 -0.99 113.70 120.49 2bs3 s SER 371 Ca -0.03 -2.12 -0.04 0.00 1.31 0.00 0.00 55.95 55.08 2bs3 s SER 371 Cb -0.08 -1.97 0.22 0.00 0.21 0.00 0.00 66.02 64.40 2bs3 s SER 371 CO 0.01 -0.62 1.67 0.24 0.41 0.00 0.00 173.24 174.95 2bs3 h MET 372 N 8.15 0.80 -7.27 12.44 2.86 -1.79 -3.44 114.93 126.67 2bs3 h MET 372 Ca -0.15 -0.28 -0.47 0.00 -2.06 0.00 0.00 59.70 56.74 2bs3 h MET 372 Cb 1.05 -0.06 0.18 0.00 0.06 0.00 0.00 31.60 32.83 2bs3 h MET 372 CO 0.81 0.90 0.16 0.20 1.06 0.00 0.00 176.91 180.03 2bs3 s GLY 373 N -3.79 1.59 0.00 8.32 0.00 -1.16 -4.60 107.32 107.69 2bs3 s GLY 373 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2bs3 s GLY 373 CO 0.83 0.51 0.00 0.61 0.00 0.00 0.00 173.10 175.05 2bs3 n GLY 374 N -0.34 -0.94 3.68 0.20 0.00 -0.79 -4.64 105.19 102.36 2bs3 n GLY 374 Ca 0.06 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2bs3 n GLY 374 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs3 s ILE 375 N -3.00 3.53 0.09 -0.61 1.01 0.89 0.53 121.20 123.64 2bs3 s ILE 375 Ca 0.00 0.88 -0.31 0.00 0.00 0.00 0.00 60.65 61.23 2bs3 s ILE 375 Cb 0.00 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2bs3 s ILE 375 CO 0.00 -0.02 1.22 -0.60 0.00 0.00 0.00 174.94 175.54 2bs3 s ARG 376 N 2.79 4.43 0.26 2.79 6.06 0.09 -0.02 118.95 135.35 2bs3 s ARG 376 Ca 0.68 1.82 0.02 0.00 -2.50 0.00 0.00 55.73 55.74 2bs3 s ARG 376 Cb -0.34 -3.32 -0.05 0.00 0.06 0.00 0.00 34.95 31.30 2bs3 s ARG 376 CO 0.28 -0.25 0.09 0.95 -2.50 0.00 0.00 175.30 173.87 2bs3 s THR 377 N 0.89 0.62 0.15 4.11 -4.23 -1.21 -4.26 115.64 111.71 2bs3 s THR 377 Ca 0.58 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2bs3 s THR 377 Cb -0.31 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 70.94 2bs3 s THR 377 CO 0.30 -0.03 0.21 -0.90 -0.54 0.00 0.00 174.62 173.66 2bs3 n ASP 378 N -0.47 0.17 0.28 3.99 5.68 -0.23 -4.78 116.55 121.19 2bs3 n ASP 378 Ca -0.01 -1.17 0.19 0.00 -0.50 0.00 0.00 54.79 53.30 2bs3 n ASP 378 Cb 0.66 -0.15 0.89 0.00 -1.14 0.00 0.00 41.12 41.39 2bs3 n ASP 378 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2bs3 h TYR 379 N -0.68 0.00 0.00 2.11 -0.00 -1.90 -1.70 116.97 114.79 2bs3 h TYR 379 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.66 2bs3 h TYR 379 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.96 2bs3 h TYR 379 CO 0.00 0.00 -0.30 0.54 -0.00 0.00 0.00 178.16 178.40 2bs3 n ARG 380 N -2.94 0.20 -0.13 0.10 1.74 -1.26 -4.93 116.66 109.44 2bs3 n ARG 380 Ca -0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2bs3 n ARG 380 Cb 0.18 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2bs3 n ARG 380 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bs3 n GLY 381 N 1.37 0.79 3.81 -0.13 0.00 -0.64 -4.53 105.19 105.86 2bs3 n GLY 381 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2bs3 n GLY 381 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bs3 s GLU 382 N -0.87 4.04 0.88 1.61 2.12 -1.26 -0.82 118.70 124.39 2bs3 s GLU 382 Ca 0.00 0.45 -0.10 0.00 0.36 0.00 0.00 54.97 55.69 2bs3 s GLU 382 Cb 0.00 -3.26 0.18 0.00 0.26 0.00 0.00 34.13 31.31 2bs3 s GLU 382 CO 0.00 0.58 1.20 0.00 -0.54 0.00 0.00 175.26 176.50 2bs3 s ALA 383 N -0.76 2.85 0.42 6.30 0.00 0.47 -1.07 121.76 129.97 2bs3 s ALA 383 Ca 0.25 -1.50 0.19 0.00 0.00 0.00 0.00 51.96 50.89 2bs3 s ALA 383 Cb -0.17 -2.42 1.11 0.00 0.00 0.00 0.00 23.12 21.64 2bs3 s ALA 383 CO 0.13 -2.10 1.99 -0.22 0.00 0.00 0.00 175.76 175.56 2bs3 h LYS 384 N -1.23 0.00 -6.37 0.00 3.64 -1.87 -3.37 116.57 107.37 2bs3 h LYS 384 Ca -0.40 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.40 2bs3 h LYS 384 Cb 1.24 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.98 2bs3 h LYS 384 CO 0.36 0.20 0.77 -1.17 -2.27 0.00 0.00 179.45 177.34 2bs3 s LEU 385 N -8.04 3.85 0.25 5.20 2.96 -1.26 -4.92 118.68 116.72 2bs3 s LEU 385 Ca -0.03 0.55 -0.31 0.00 -0.22 0.00 0.00 54.13 54.11 2bs3 s LEU 385 Cb 0.14 -3.41 -0.12 0.00 0.50 0.00 0.00 46.19 43.30 2bs3 s LEU 385 CO 0.66 -1.04 1.60 0.29 -1.32 0.00 0.00 176.35 176.54 2bs3 n LYS 386 N 7.26 2.59 -0.17 1.98 4.01 -0.78 -2.04 118.16 131.01 2bs3 n LYS 386 Ca 0.10 0.93 0.00 0.00 -0.51 0.00 0.00 58.31 58.82 2bs3 n LYS 386 Cb 0.48 -2.71 0.00 0.00 -0.51 0.00 0.00 35.03 32.29 2bs3 n LYS 386 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2bs3 n GLY 387 N 2.73 1.16 3.52 0.72 0.00 -1.26 0.04 105.19 112.10 2bs3 n GLY 387 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2bs3 n GLY 387 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bs3 s LEU 388 N 0.00 3.68 0.34 0.99 2.96 -0.87 -0.75 118.68 125.04 2bs3 s LEU 388 Ca 0.00 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 2bs3 s LEU 388 Cb 0.00 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 2bs3 s LEU 388 CO 0.00 -0.01 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.66 2bs3 s PHE 389 N 1.46 2.53 -0.07 5.38 0.40 0.13 -0.39 117.98 127.41 2bs3 s PHE 389 Ca 0.06 -0.45 -0.14 0.00 -0.60 0.00 0.00 56.93 55.81 2bs3 s PHE 389 Cb -0.15 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 41.93 2bs3 s PHE 389 CO 0.05 0.49 0.34 0.45 0.70 0.00 0.00 175.22 177.25 2bs3 s SER 390 N -3.70 -0.29 0.04 1.36 0.15 -0.00 -0.06 113.70 111.19 2bs3 s SER 390 Ca 0.34 0.41 -0.16 0.00 0.70 0.00 0.00 55.95 57.24 2bs3 s SER 390 Cb 0.00 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2bs3 s SER 390 CO 0.19 -0.29 0.36 0.00 1.20 0.00 0.00 173.24 174.70 2bs3 s ALA 391 N -0.57 -0.85 0.00 5.45 0.00 -1.00 -4.75 121.76 120.04 2bs3 s ALA 391 Ca -0.07 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2bs3 s ALA 391 Cb -0.04 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2bs3 s ALA 391 CO 0.02 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2bs3 n GLY 392 N 0.62 -1.75 0.29 0.00 0.00 -1.26 -4.23 105.19 98.85 2bs3 n GLY 392 Ca -0.19 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.32 2bs3 n GLY 392 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bs3 h GLU 393 N 0.00 0.00 0.00 1.61 4.81 -1.89 -1.73 114.58 117.38 2bs3 h GLU 393 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bs3 h GLU 393 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2bs3 h GLU 393 CO 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.29 2bs3 h ALA 394 N 1.99 1.00 -1.40 2.92 0.00 -1.68 -3.42 119.26 118.67 2bs3 h ALA 394 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 2bs3 h ALA 394 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bs3 h ALA 394 CO 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 179.25 178.96 2bs3 s ALA 395 N -3.54 4.39 -0.49 0.00 0.00 -0.65 -0.08 121.76 121.39 2bs3 s ALA 395 Ca 0.02 -1.76 0.07 0.00 0.00 0.00 0.00 51.96 50.28 2bs3 s ALA 395 Cb 0.09 -1.40 0.24 0.00 0.00 0.00 0.00 23.12 22.06 2bs3 s ALA 395 CO 0.44 -0.31 0.59 0.00 0.00 0.00 0.00 175.76 176.48 2bs3 h TRP 397 N 4.22 0.26 -4.46 0.00 7.01 -1.86 -3.20 115.95 117.92 2bs3 h TRP 397 Ca 0.13 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.04 2bs3 h TRP 397 Cb 0.80 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2bs3 h TRP 397 CO 0.50 0.73 -0.10 -3.47 -2.79 0.00 0.00 178.44 173.31 2bs3 n ASP 398 N -3.89 -5.65 -0.14 2.65 2.03 -1.26 -4.76 116.55 105.53 2bs3 n ASP 398 Ca -0.02 0.08 0.06 0.00 0.52 0.00 0.00 54.79 55.43 2bs3 n ASP 398 Cb 0.59 -3.71 -0.03 0.00 -0.72 0.00 0.00 41.12 37.25 2bs3 n ASP 398 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2bs3 n MET 399 N -1.11 2.53 -0.04 -0.67 0.00 -1.26 -0.58 117.12 115.99 2bs3 n MET 399 Ca 0.02 -0.34 0.02 0.00 0.00 0.00 0.00 57.70 57.40 2bs3 n MET 399 Cb 0.43 -1.10 -0.14 0.00 0.00 0.00 0.00 33.22 32.41 2bs3 n MET 399 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2bs3 n HIS 400 N -0.74 0.00 0.00 3.17 8.25 -1.26 -4.83 115.22 119.81 2bs3 n HIS 400 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2bs3 n HIS 400 Cb 0.22 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.73 2bs3 n HIS 400 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bs3 n GLY 401 N 1.67 3.47 1.60 -1.41 0.00 -1.26 -1.74 105.19 107.52 2bs3 n GLY 401 Ca -0.14 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 45.94 2bs3 n GLY 401 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bs3 n PHE 402 N 14.00 1.53 -3.15 1.61 3.01 -0.88 -4.81 117.46 128.77 2bs3 n PHE 402 Ca 0.00 -0.60 0.05 0.00 1.01 0.00 0.00 57.45 57.91 2bs3 n PHE 402 Cb 0.00 -0.27 -0.01 0.00 -0.01 0.00 0.00 39.48 39.19 2bs3 n PHE 402 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2bs3 s ASN 403 N -0.86 -0.71 0.24 4.37 0.02 -0.71 -0.11 114.94 117.18 2bs3 s ASN 403 Ca 0.50 0.30 -0.30 0.00 -1.02 0.00 0.00 52.86 52.35 2bs3 s ASN 403 Cb 0.33 1.54 -0.09 0.00 0.02 0.00 0.00 41.25 43.05 2bs3 s ASN 403 CO 0.23 -0.13 1.02 -0.60 0.02 0.00 0.00 177.10 177.65 2bs3 s ARG 404 N 2.93 4.73 0.24 -0.60 3.00 -1.25 -3.12 118.95 124.88 2bs3 s ARG 404 Ca 0.11 1.64 -0.30 0.00 -1.00 0.00 0.00 55.73 56.18 2bs3 s ARG 404 Cb -0.09 -3.25 -0.09 0.00 0.00 0.00 0.00 34.95 31.52 2bs3 s ARG 404 CO -0.17 0.33 1.04 -0.51 0.00 0.00 0.00 175.30 175.99 2bs3 s LEU 405 N -1.13 4.57 0.14 -0.88 1.43 -1.26 -4.97 118.68 116.59 2bs3 s LEU 405 Ca 0.44 2.12 -0.31 0.00 -1.03 0.00 0.00 54.13 55.34 2bs3 s LEU 405 Cb -0.29 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.21 2bs3 s LEU 405 CO 0.36 -0.05 1.80 -0.83 0.23 0.00 0.00 176.35 177.86 2bs3 s GLY 406 N -0.83 1.31 0.00 -3.19 0.00 -1.26 -1.12 107.32 102.23 2bs3 s GLY 406 Ca 0.44 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.65 2bs3 s GLY 406 CO 0.37 3.08 0.00 0.61 0.00 0.00 0.00 173.10 177.16 2bs3 n GLY 407 N 4.17 0.65 0.12 0.20 0.00 -1.26 -4.33 105.19 104.74 2bs3 n GLY 407 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2bs3 n GLY 407 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bs3 h ASN 408 N 0.00 0.00 0.07 1.61 -0.26 -1.42 0.13 115.58 115.72 2bs3 h ASN 408 Ca 0.00 -0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.49 2bs3 h ASN 408 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.28 2bs3 h ASN 408 CO 0.00 0.00 -1.00 0.77 -1.06 0.00 0.00 177.43 176.14 2bs3 h SER 409 N 0.00 0.76 0.70 5.81 4.64 -1.92 0.20 113.55 123.74 2bs3 h SER 409 Ca 0.00 -0.81 -0.11 0.00 -0.47 0.00 0.00 61.79 60.40 2bs3 h SER 409 Cb 1.00 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2bs3 h SER 409 CO 0.00 1.48 -0.51 -0.37 -0.87 0.00 0.00 176.83 176.56 2bs3 h VAL 410 N 0.13 1.21 -0.29 0.95 -1.51 -1.87 -1.89 116.25 112.98 2bs3 h VAL 410 Ca -0.15 -1.84 -0.05 0.00 -1.23 0.00 0.00 66.70 63.43 2bs3 h VAL 410 Cb 1.70 2.04 -0.01 0.00 -2.13 0.00 0.00 31.29 32.89 2bs3 h VAL 410 CO 0.19 0.50 -0.01 -1.28 -1.23 0.00 0.00 177.57 175.75 2bs3 h SER 411 N 0.00 0.52 -0.56 4.19 0.87 -1.66 -3.02 113.55 113.89 2bs3 h SER 411 Ca -0.01 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2bs3 h SER 411 Cb 1.00 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 2bs3 h SER 411 CO 0.07 0.71 0.30 -0.08 -0.53 0.00 0.00 176.83 177.29 2bs3 h GLU 412 N 0.31 0.79 -0.42 2.24 4.81 -0.33 -0.81 114.58 121.16 2bs3 h GLU 412 Ca 0.08 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 2bs3 h GLU 412 Cb 0.44 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.59 2bs3 h GLU 412 CO 0.02 0.62 -0.11 0.00 -0.73 0.00 0.00 179.01 178.80 2bs3 h ALA 413 N 1.13 0.27 -0.15 2.92 0.00 -1.26 0.79 119.26 122.95 2bs3 h ALA 413 Ca 0.20 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 2bs3 h ALA 413 Cb 0.07 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2bs3 h ALA 413 CO -0.03 -0.46 -0.48 0.28 0.00 0.00 0.00 179.25 178.57 2bs3 h VAL 414 N -0.01 1.34 -0.23 0.00 2.07 -1.42 -1.36 116.25 116.65 2bs3 h VAL 414 Ca 0.20 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 2bs3 h VAL 414 Cb 0.32 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2bs3 h VAL 414 CO -0.44 0.54 0.07 0.58 0.02 0.00 0.00 177.57 178.34 2bs3 h VAL 415 N 0.23 1.19 -0.63 2.57 2.07 -0.72 -0.69 116.25 120.26 2bs3 h VAL 415 Ca -0.02 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 2bs3 h VAL 415 Cb 1.10 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2bs3 h VAL 415 CO 0.10 0.20 0.20 0.00 0.02 0.00 0.00 177.57 178.09 2bs3 h ALA 416 N 0.89 1.16 -0.96 1.67 0.00 0.51 0.51 119.26 123.04 2bs3 h ALA 416 Ca 0.07 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2bs3 h ALA 416 Cb 0.24 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 2bs3 h ALA 416 CO -0.00 0.58 0.60 0.78 0.00 0.00 0.00 179.25 181.21 2bs3 h GLY 417 N 1.03 1.51 0.45 0.00 0.00 -0.64 0.40 103.07 105.82 2bs3 h GLY 417 Ca 0.21 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2bs3 h GLY 417 CO -0.01 0.23 -0.11 -0.33 0.00 0.00 0.00 176.54 176.32 2bs3 h MET 418 N 1.02 -0.29 0.39 4.80 2.86 -0.26 -1.94 114.93 121.50 2bs3 h MET 418 Ca 0.45 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.09 2bs3 h MET 418 Cb 0.32 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2bs3 h MET 418 CO -0.22 0.09 -0.19 0.82 1.06 0.00 0.00 176.91 178.47 2bs3 h ILE 419 N -0.85 0.44 -0.11 -1.22 2.04 -0.73 -2.04 117.51 115.03 2bs3 h ILE 419 Ca -0.03 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2bs3 h ILE 419 Cb 0.51 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2bs3 h ILE 419 CO 0.05 0.09 -0.05 0.58 0.00 0.00 0.00 178.15 178.82 2bs3 h VAL 420 N -0.96 1.11 -0.81 1.67 2.07 -0.39 -1.40 116.25 117.55 2bs3 h VAL 420 Ca -0.05 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.06 2bs3 h VAL 420 Cb 0.54 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2bs3 h VAL 420 CO 0.09 0.15 0.50 1.23 0.02 0.00 0.00 177.57 179.55 2bs3 h GLY 421 N 0.48 1.19 0.72 2.17 0.00 -1.27 0.38 103.07 106.74 2bs3 h GLY 421 Ca 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2bs3 h GLY 421 CO 0.01 0.27 -0.00 0.83 0.00 0.00 0.00 176.54 177.65 2bs3 h GLU 422 N 0.94 -0.00 -0.54 4.80 4.39 -0.51 0.35 114.58 124.00 2bs3 h GLU 422 Ca 0.34 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.99 2bs3 h GLU 422 Cb 0.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2bs3 h GLU 422 CO -0.15 0.27 0.14 1.88 -1.16 0.00 0.00 179.01 180.00 2bs3 h TYR 423 N -0.28 0.84 -0.43 4.33 0.05 -1.19 -0.41 116.97 119.89 2bs3 h TYR 423 Ca -0.00 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 2bs3 h TYR 423 Cb 0.28 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 2bs3 h TYR 423 CO 0.02 0.70 0.01 0.35 -1.05 0.00 0.00 178.16 178.19 2bs3 h PHE 424 N 0.80 0.81 -0.50 4.88 3.57 -0.15 -0.76 116.94 125.58 2bs3 h PHE 424 Ca 0.18 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2bs3 h PHE 424 Cb 0.27 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2bs3 h PHE 424 CO 0.02 0.80 0.26 0.00 -2.23 0.00 0.00 178.31 177.15 2bs3 h ALA 425 N 0.90 0.64 -0.60 2.41 0.00 -0.51 -1.10 119.26 121.00 2bs3 h ALA 425 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2bs3 h ALA 425 Cb 0.47 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2bs3 h ALA 425 CO 0.02 0.18 0.39 1.49 0.00 0.00 0.00 179.25 181.32 2bs3 h GLU 426 N 0.66 0.80 -0.12 0.00 4.81 -0.87 -1.31 114.58 118.56 2bs3 h GLU 426 Ca 0.17 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2bs3 h GLU 426 Cb 0.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2bs3 h GLU 426 CO -0.03 0.55 0.06 1.25 -0.73 0.00 0.00 179.01 180.12 2bs3 h HIS 427 N 0.82 0.16 -0.41 0.92 2.76 -0.84 -1.40 115.15 117.16 2bs3 h HIS 427 Ca 0.22 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2bs3 h HIS 427 Cb -0.07 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 2bs3 h HIS 427 CO -0.03 0.17 0.13 0.00 -1.30 0.00 0.00 177.93 176.91 2bs3 h ALA 429 N 1.57 0.30 0.00 0.00 0.00 -1.08 -3.37 119.26 116.68 2bs3 h ALA 429 Ca 0.14 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 2bs3 h ALA 429 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2bs3 h ALA 429 CO -0.01 0.84 -1.66 0.09 0.00 0.00 0.00 179.25 178.51 2bs3 n ASN 430 N -3.71 0.46 -4.84 0.00 5.03 -0.54 -4.96 115.26 106.69 2bs3 n ASN 430 Ca -0.07 0.19 -0.32 0.00 0.87 0.00 0.00 54.58 55.25 2bs3 n ASN 430 Cb 0.88 0.92 -0.02 0.00 -1.02 0.00 0.00 39.78 40.54 2bs3 n ASN 430 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2bs3 s THR 431 N -3.14 4.49 -0.07 3.41 -1.32 0.23 -5.06 115.64 114.19 2bs3 s THR 431 Ca -0.05 1.11 0.02 0.00 -1.21 0.00 0.00 61.69 61.56 2bs3 s THR 431 Cb 0.10 -3.71 0.02 0.00 -1.51 0.00 0.00 72.50 67.40 2bs3 s THR 431 CO 0.84 -0.76 -0.11 -1.10 -2.21 0.00 0.00 174.62 171.28 2bs3 s GLN 432 N -4.30 1.59 0.12 7.08 -1.52 -1.26 -4.94 119.66 116.43 2bs3 s GLN 432 Ca 0.59 -0.37 0.07 0.00 -1.95 0.00 0.00 55.36 53.70 2bs3 s GLN 432 Cb -0.11 -1.36 -0.04 0.00 -0.22 0.00 0.00 33.01 31.28 2bs3 s GLN 432 CO 0.36 -0.01 -0.07 0.08 -0.25 0.00 0.00 175.29 175.40 2bs3 s VAL 433 N 0.78 3.48 -0.48 1.09 1.01 -1.26 -5.09 120.40 119.92 2bs3 s VAL 433 Ca -0.13 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 2bs3 s VAL 433 Cb -0.15 -2.66 0.13 0.00 0.00 0.00 0.00 36.38 33.69 2bs3 s VAL 433 CO 0.02 0.06 0.31 -0.62 0.00 0.00 0.00 175.10 174.87 2bs3 s ASP 434 N -2.39 5.46 -0.61 3.32 -1.08 -1.26 -5.05 116.67 115.05 2bs3 s ASP 434 Ca 0.23 -2.15 -0.23 0.00 -0.52 0.00 0.00 52.55 49.89 2bs3 s ASP 434 Cb -0.11 -1.91 0.06 0.00 -1.46 0.00 0.00 42.92 39.51 2bs3 s ASP 434 CO 0.15 -0.57 0.92 -0.76 0.52 0.00 0.00 175.17 175.43 2bs3 s LEU 435 N 0.99 4.37 -0.23 -1.34 1.43 -1.26 -5.02 118.68 117.62 2bs3 s LEU 435 Ca 0.09 -0.81 -0.20 0.00 -1.03 0.00 0.00 54.13 52.18 2bs3 s LEU 435 Cb -0.23 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 2bs3 s LEU 435 CO -0.03 -1.32 0.62 -1.61 0.23 0.00 0.00 176.35 174.24 2bs3 s GLU 436 N 3.88 4.16 0.51 1.70 2.02 -1.26 -4.94 118.70 124.77 2bs3 s GLU 436 Ca 0.24 0.57 0.19 0.00 0.02 0.00 0.00 54.97 55.98 2bs3 s GLU 436 Cb -0.16 -3.61 1.31 0.00 0.10 0.00 0.00 34.13 31.77 2bs3 s GLU 436 CO 0.13 -0.32 2.13 1.79 0.02 0.00 0.00 175.26 179.00 2bs3 h THR 437 N 5.30 0.93 -0.74 3.63 1.35 -1.99 -1.34 112.91 120.04 2bs3 h THR 437 Ca -0.29 -0.18 0.01 0.00 -0.55 0.00 0.00 66.41 65.40 2bs3 h THR 437 Cb 1.13 1.10 -0.04 0.00 -1.73 0.00 0.00 68.15 68.61 2bs3 h THR 437 CO 0.77 0.05 0.49 0.50 -0.25 0.00 0.00 175.52 177.08 2bs3 h LYS 438 N 0.00 0.98 -0.12 4.72 3.64 -1.99 0.11 116.57 123.91 2bs3 h LYS 438 Ca -0.00 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2bs3 h LYS 438 Cb 0.09 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2bs3 h LYS 438 CO 0.01 0.65 -0.14 1.15 -2.27 0.00 0.00 179.45 178.85 2bs3 h THR 439 N 1.00 1.36 -0.46 1.00 2.02 -1.69 -2.17 112.91 113.97 2bs3 h THR 439 Ca 0.27 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 66.17 2bs3 h THR 439 Cb -0.11 1.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 2bs3 h THR 439 CO -0.06 0.38 0.25 -0.07 0.37 0.00 0.00 175.52 176.39 2bs3 h LEU 440 N -0.09 0.37 -0.96 2.58 3.38 -1.13 -2.01 115.31 117.45 2bs3 h LEU 440 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bs3 h LEU 440 Cb 0.67 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2bs3 h LEU 440 CO 0.03 0.26 0.42 -0.33 0.09 0.00 0.00 178.44 178.91 2bs3 h GLU 441 N 0.49 1.16 -0.11 1.13 5.08 -0.78 -0.64 114.58 120.91 2bs3 h GLU 441 Ca 0.20 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2bs3 h GLU 441 Cb 0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2bs3 h GLU 441 CO -0.12 0.87 0.07 -0.22 -1.00 0.00 0.00 179.01 178.60 2bs3 h LYS 442 N 1.16 0.14 -0.32 2.33 3.64 -0.76 0.14 116.57 122.90 2bs3 h LYS 442 Ca 0.29 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2bs3 h LYS 442 Cb 0.07 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2bs3 h LYS 442 CO -0.04 0.12 -0.03 0.74 -2.27 0.00 0.00 179.45 177.96 2bs3 h PHE 443 N 0.13 0.64 -0.13 1.91 -1.00 -1.18 0.33 116.94 117.64 2bs3 h PHE 443 Ca 0.04 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 2bs3 h PHE 443 Cb 0.01 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 2bs3 h PHE 443 CO -0.06 0.73 0.03 0.28 -1.61 0.00 0.00 178.31 177.68 2bs3 h VAL 444 N 0.37 1.20 -0.42 -0.55 2.07 -1.02 -2.13 116.25 115.76 2bs3 h VAL 444 Ca 0.09 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2bs3 h VAL 444 Cb 0.50 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2bs3 h VAL 444 CO 0.02 0.19 0.03 0.11 0.02 0.00 0.00 177.57 177.94 2bs3 h LYS 445 N 0.02 0.66 -0.89 1.57 1.57 -0.74 -1.40 116.57 117.35 2bs3 h LYS 445 Ca 0.04 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2bs3 h LYS 445 Cb 0.26 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2bs3 h LYS 445 CO 0.00 0.66 0.49 0.78 -0.57 0.00 0.00 179.45 180.81 2bs3 h GLY 446 N 0.90 1.33 1.91 3.86 0.00 -0.70 -0.71 103.07 109.66 2bs3 h GLY 446 Ca 0.13 -0.60 -0.19 0.00 0.00 0.00 0.00 47.33 46.67 2bs3 h GLY 446 CO 0.01 0.57 -0.90 1.46 0.00 0.00 0.00 176.54 177.68 2bs3 h GLN 447 N 1.25 0.07 -0.42 4.80 1.08 -0.99 -1.73 115.11 119.17 2bs3 h GLN 447 Ca 0.31 -0.09 -0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2bs3 h GLN 447 Cb 0.02 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2bs3 h GLN 447 CO -0.05 0.92 -0.19 0.93 -0.95 0.00 0.00 178.83 179.49 2bs3 h GLU 448 N 0.03 0.81 -0.58 1.46 5.08 -0.99 -0.20 114.58 120.20 2bs3 h GLU 448 Ca -0.03 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 57.91 2bs3 h GLU 448 Cb 1.57 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2bs3 h GLU 448 CO 0.13 0.93 -0.05 0.00 -1.00 0.00 0.00 179.01 179.02 2bs3 h ALA 449 N 1.07 0.78 -0.03 3.43 0.00 -1.06 -1.71 119.26 121.74 2bs3 h ALA 449 Ca 0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2bs3 h ALA 449 Cb 0.71 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bs3 h ALA 449 CO 0.05 0.66 0.01 -0.92 0.00 0.00 0.00 179.25 179.06 2bs3 h TYR 450 N 0.94 0.04 -0.82 0.00 3.20 -0.96 -0.05 116.97 119.31 2bs3 h TYR 450 Ca 0.16 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2bs3 h TYR 450 Cb 0.61 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 2bs3 h TYR 450 CO 0.04 0.10 0.50 0.52 -1.64 0.00 0.00 178.16 177.69 2bs3 h MET 451 N -0.04 0.88 -0.54 1.82 2.86 -0.92 -1.73 114.93 117.26 2bs3 h MET 451 Ca 0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2bs3 h MET 451 Cb 0.08 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2bs3 h MET 451 CO -0.00 0.58 0.16 -0.22 1.06 0.00 0.00 176.91 178.49 2bs3 h LYS 452 N 0.90 0.85 -0.58 1.72 3.64 -0.87 -2.22 116.57 120.01 2bs3 h LYS 452 Ca 0.37 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2bs3 h LYS 452 Cb 0.20 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2bs3 h LYS 452 CO -0.18 0.78 0.21 0.66 -2.27 0.00 0.00 179.45 178.65 2bs3 h SER 453 N 0.76 0.78 -0.41 4.20 4.64 -0.39 -0.37 113.55 122.75 2bs3 h SER 453 Ca 0.17 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2bs3 h SER 453 Cb 0.29 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2bs3 h SER 453 CO -0.00 0.72 0.03 -0.07 -0.87 0.00 0.00 176.83 176.63 2bs3 h LEU 454 N 0.84 0.68 -1.22 5.97 3.38 -1.09 0.11 115.31 123.98 2bs3 h LEU 454 Ca 0.20 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2bs3 h LEU 454 Cb 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2bs3 h LEU 454 CO -0.02 0.80 -0.35 0.58 0.09 0.00 0.00 178.44 179.55 2bs3 h VAL 455 N 0.54 1.04 -0.00 1.22 2.07 -1.03 -3.08 116.25 117.01 2bs3 h VAL 455 Ca 0.12 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2bs3 h VAL 455 Cb 0.43 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2bs3 h VAL 455 CO 0.02 0.35 -0.71 -0.62 0.02 0.00 0.00 177.57 176.62 2bs3 n GLU 456 N -3.82 0.36 -1.64 1.57 1.02 -0.18 -4.89 120.64 113.07 2bs3 n GLU 456 Ca -0.01 -0.28 -0.45 0.00 -0.02 0.00 0.00 57.16 56.40 2bs3 n GLU 456 Cb 0.43 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 2bs3 n GLU 456 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bs3 n SER 457 N -1.08 2.15 -1.21 1.62 2.88 0.36 -4.87 113.62 113.48 2bs3 n SER 457 Ca 0.06 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.86 2bs3 n SER 457 Cb 0.36 -1.37 0.29 0.00 -0.75 0.00 0.00 64.21 62.75 2bs3 n SER 457 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2bs3 n LYS 458 N 1.41 3.13 -0.97 -1.46 4.01 -1.26 -4.64 118.16 118.38 2bs3 n LYS 458 Ca 0.11 -2.60 -0.34 0.00 -0.51 0.00 0.00 58.31 54.97 2bs3 n LYS 458 Cb 0.31 -1.62 0.12 0.00 -0.51 0.00 0.00 35.03 33.32 2bs3 n LYS 458 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2bs3 n GLY 459 N 1.00 -1.22 0.42 0.72 0.00 -1.26 -4.94 105.19 99.90 2bs3 n GLY 459 Ca 0.21 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.69 2bs3 n GLY 459 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bs3 n THR 460 N -3.30 0.00 -2.48 2.61 -2.24 -0.97 -3.60 114.28 104.30 2bs3 n THR 460 Ca 0.10 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 61.04 2bs3 n THR 460 Cb 0.52 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 2bs3 n THR 460 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bs3 s GLU 461 N -0.92 3.71 -0.26 -0.78 0.41 -0.65 -4.83 118.70 115.38 2bs3 s GLU 461 Ca 0.12 1.39 -0.09 0.00 -0.41 0.00 0.00 54.97 55.98 2bs3 s GLU 461 Cb 0.09 -2.08 -0.04 0.00 -1.78 0.00 0.00 34.13 30.32 2bs3 s GLU 461 CO 0.14 -0.51 0.13 0.34 -0.49 0.00 0.00 175.26 174.87 2bs3 s ASP 462 N -1.99 5.63 0.27 -0.19 -1.08 -1.26 -2.20 116.67 115.85 2bs3 s ASP 462 Ca 0.68 -0.08 -0.02 0.00 -0.52 0.00 0.00 52.55 52.61 2bs3 s ASP 462 Cb -0.17 -2.03 0.41 0.00 -1.46 0.00 0.00 42.92 39.67 2bs3 s ASP 462 CO 0.22 -0.02 1.89 1.62 0.52 0.00 0.00 175.17 179.40 2bs3 h VAL 463 N 5.38 1.11 -0.39 1.11 3.04 -1.96 -2.00 116.25 122.54 2bs3 h VAL 463 Ca -0.37 -0.41 -0.13 0.00 -1.01 0.00 0.00 66.70 64.79 2bs3 h VAL 463 Cb 1.18 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2bs3 h VAL 463 CO 0.58 0.22 -0.28 -0.26 -1.01 0.00 0.00 177.57 176.81 2bs3 h PHE 464 N 1.18 0.96 -0.32 3.17 0.04 -1.97 0.34 116.94 120.34 2bs3 h PHE 464 Ca 0.42 -0.24 -0.09 0.00 2.80 0.00 0.00 57.97 60.85 2bs3 h PHE 464 Cb 0.13 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2bs3 h PHE 464 CO -0.00 1.01 -0.20 0.87 -0.60 0.00 0.00 178.31 179.39 2bs3 h LYS 465 N 0.70 0.60 -0.21 1.51 1.57 -1.88 0.29 116.57 119.15 2bs3 h LYS 465 Ca 0.08 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2bs3 h LYS 465 Cb 0.82 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2bs3 h LYS 465 CO 0.07 0.76 -0.28 0.82 -0.57 0.00 0.00 179.45 180.25 2bs3 h ILE 466 N 0.53 1.33 -0.66 1.86 2.04 -1.15 -2.15 117.51 119.32 2bs3 h ILE 466 Ca 0.08 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.42 2bs3 h ILE 466 Cb 0.64 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2bs3 h ILE 466 CO 0.05 0.46 0.23 0.50 0.00 0.00 0.00 178.15 179.38 2bs3 h LYS 467 N 0.23 1.00 -0.17 2.37 3.64 -0.65 -2.03 116.57 120.97 2bs3 h LYS 467 Ca 0.02 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.12 2bs3 h LYS 467 Cb 0.85 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2bs3 h LYS 467 CO 0.07 0.86 -0.27 -0.91 -2.27 0.00 0.00 179.45 176.93 2bs3 h ASN 468 N 0.94 0.32 -0.05 4.20 -0.26 -0.95 -2.47 115.58 117.31 2bs3 h ASN 468 Ca 0.21 -0.10 -0.17 0.00 -0.56 0.00 0.00 56.30 55.69 2bs3 h ASN 468 Cb 0.26 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.43 2bs3 h ASN 468 CO -0.01 0.59 -0.54 -0.09 -1.06 0.00 0.00 177.43 176.31 2bs3 h ARG 469 N 0.29 0.63 -0.60 0.81 9.65 -1.14 -2.56 114.38 121.46 2bs3 h ARG 469 Ca 0.04 -0.40 0.01 0.00 -1.10 0.00 0.00 59.98 58.54 2bs3 h ARG 469 Cb 0.62 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.21 2bs3 h ARG 469 CO 0.04 1.01 0.39 1.98 2.80 0.00 0.00 179.97 186.19 2bs3 h MET 470 N 0.49 0.76 -0.41 0.20 4.05 -1.07 -1.49 114.93 117.45 2bs3 h MET 470 Ca 0.01 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 2bs3 h MET 470 Cb 1.10 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 2bs3 h MET 470 CO 0.11 0.50 -0.04 0.87 0.23 0.00 0.00 176.91 178.57 2bs3 h LYS 471 N 0.78 0.69 -0.26 0.39 1.57 -1.31 -1.55 116.57 116.88 2bs3 h LYS 471 Ca 0.23 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 2bs3 h LYS 471 Cb -0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2bs3 h LYS 471 CO -0.07 0.73 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.90 2bs3 h ASP 472 N 0.64 0.62 -0.87 0.86 3.32 -1.14 -1.80 116.42 118.06 2bs3 h ASP 472 Ca 0.12 -0.45 0.04 0.00 0.02 0.00 0.00 57.03 56.76 2bs3 h ASP 472 Cb 0.46 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 2bs3 h ASP 472 CO 0.02 0.94 0.55 0.58 -1.72 0.00 0.00 179.24 179.62 2bs3 h VAL 473 N 0.31 1.11 -0.30 -1.35 2.07 -1.05 0.12 116.25 117.17 2bs3 h VAL 473 Ca 0.05 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2bs3 h VAL 473 Cb 0.75 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2bs3 h VAL 473 CO 0.05 0.19 -0.03 0.24 0.02 0.00 0.00 177.57 178.05 2bs3 h MET 474 N 1.06 0.55 -0.42 1.57 2.86 -1.18 -1.61 114.93 117.76 2bs3 h MET 474 Ca 0.35 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 2bs3 h MET 474 Cb 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2bs3 h MET 474 CO -0.13 0.71 -0.02 -0.44 1.06 0.00 0.00 176.91 178.09 2bs3 h ASP 475 N 0.33 0.75 0.17 1.22 3.32 -0.91 0.42 116.42 121.72 2bs3 h ASP 475 Ca 0.08 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.66 2bs3 h ASP 475 Cb 0.49 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2bs3 h ASP 475 CO 0.02 0.89 -0.54 0.44 -1.72 0.00 0.00 179.24 178.33 2bs3 h ASP 476 N 0.60 0.44 0.00 6.45 3.32 -0.78 -3.36 116.42 123.09 2bs3 h ASP 476 Ca 0.12 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2bs3 h ASP 476 Cb 0.52 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2bs3 h ASP 476 CO 0.03 0.90 -0.71 0.59 -1.72 0.00 0.00 179.24 178.33 2bs3 n ASN 477 N -3.94 1.98 -2.23 6.45 3.02 -0.61 -4.74 115.26 115.19 2bs3 n ASN 477 Ca -0.03 -0.32 -0.20 0.00 -0.03 0.00 0.00 54.58 54.01 2bs3 n ASN 477 Cb 0.59 1.11 0.02 0.00 -0.61 0.00 0.00 39.78 40.89 2bs3 n ASN 477 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2bs3 n VAL 478 N -1.38 2.25 -0.55 2.41 0.31 0.13 -4.60 118.33 116.90 2bs3 n VAL 478 Ca 0.00 -4.06 0.00 0.00 -0.01 0.00 0.00 64.34 60.27 2bs3 n VAL 478 Cb 0.10 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 2bs3 n VAL 478 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bs3 n GLY 479 N -0.64 1.72 0.25 2.92 0.00 -1.24 -4.87 105.19 103.33 2bs3 n GLY 479 Ca 0.36 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 2bs3 n GLY 479 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bs3 h ILE 480 N 0.00 0.96 -3.32 -0.61 2.04 -1.91 -3.40 117.51 111.27 2bs3 h ILE 480 Ca 0.00 -0.23 -0.65 0.00 1.00 0.00 0.00 64.86 64.98 2bs3 h ILE 480 Cb 0.00 0.24 -0.26 0.00 -0.74 0.00 0.00 36.82 36.07 2bs3 h ILE 480 CO 0.00 0.12 -0.74 -0.36 0.00 0.00 0.00 178.15 177.17 2bs3 s PHE 481 N -6.10 2.87 0.09 1.37 0.08 -1.26 -4.14 117.98 110.89 2bs3 s PHE 481 Ca -0.13 -0.57 0.05 0.00 0.12 0.00 0.00 56.93 56.41 2bs3 s PHE 481 Cb 0.16 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2bs3 s PHE 481 CO 0.76 -0.18 -0.14 1.03 -0.10 0.00 0.00 175.22 176.59 2bs3 s ARG 482 N 0.40 0.89 -0.00 0.44 0.52 -0.25 -4.80 118.95 116.14 2bs3 s ARG 482 Ca -0.08 -1.06 -0.08 0.00 -0.52 0.00 0.00 55.73 53.99 2bs3 s ARG 482 Cb -0.15 -0.84 0.01 0.00 0.52 0.00 0.00 34.95 34.48 2bs3 s ARG 482 CO 0.05 0.18 0.16 0.16 0.02 0.00 0.00 175.30 175.86 2bs3 s ASP 483 N -2.01 -0.02 0.19 0.23 -4.77 -1.26 -0.37 116.67 108.67 2bs3 s ASP 483 Ca 0.02 -0.13 -0.17 0.00 -3.30 0.00 0.00 52.55 48.97 2bs3 s ASP 483 Cb -0.08 0.23 0.17 0.00 -1.09 0.00 0.00 42.92 42.15 2bs3 s ASP 483 CO 0.02 -0.36 1.61 1.23 0.70 0.00 0.00 175.17 178.38 2bs3 h GLY 484 N 4.34 0.19 0.16 2.12 0.00 -1.95 -1.42 103.07 106.51 2bs3 h GLY 484 Ca -0.30 0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.40 2bs3 h GLY 484 CO 0.40 -0.22 -0.13 -2.55 0.00 0.00 0.00 176.54 174.04 2bs3 h PRO 485 N -0.09 -0.05 -0.20 4.80 0.11 -2.00 -0.25 132.00 134.33 2bs3 h PRO 485 Ca 0.26 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.22 2bs3 h PRO 485 Cb 0.49 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2bs3 h PRO 485 CO -0.62 -0.03 -0.51 0.45 -0.21 0.00 0.00 178.00 177.08 2bs3 h HIS 486 N -0.05 0.67 -0.41 0.65 3.86 -1.88 -2.82 115.15 115.17 2bs3 h HIS 486 Ca 0.19 -0.23 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 2bs3 h HIS 486 Cb 0.34 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 2bs3 h HIS 486 CO -0.37 0.94 -0.06 -0.07 0.86 0.00 0.00 177.93 179.23 2bs3 h LEU 487 N 0.43 0.67 -0.72 2.43 3.38 -0.81 -0.36 115.31 120.34 2bs3 h LEU 487 Ca 0.02 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2bs3 h LEU 487 Cb 1.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 2bs3 h LEU 487 CO 0.10 0.78 0.09 -0.33 0.09 0.00 0.00 178.44 179.17 2bs3 h GLU 488 N 0.64 1.08 -0.51 1.13 5.08 -0.98 -0.91 114.58 120.11 2bs3 h GLU 488 Ca 0.12 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2bs3 h GLU 488 Cb 0.49 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2bs3 h GLU 488 CO 0.03 0.99 0.08 -0.22 -1.00 0.00 0.00 179.01 178.89 2bs3 h LYS 489 N 1.01 0.84 -0.10 2.33 3.64 -1.19 -2.45 116.57 120.64 2bs3 h LYS 489 Ca 0.20 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2bs3 h LYS 489 Cb 0.45 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2bs3 h LYS 489 CO 0.01 0.83 0.06 0.00 -2.27 0.00 0.00 179.45 178.08 2bs3 h ALA 490 N 0.97 0.12 -0.54 5.00 0.00 -0.74 -1.62 119.26 122.46 2bs3 h ALA 490 Ca 0.15 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2bs3 h ALA 490 Cb 0.40 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2bs3 h ALA 490 CO 0.01 -0.35 0.29 0.28 0.00 0.00 0.00 179.25 179.48 2bs3 h VAL 491 N 0.08 0.98 -0.54 0.00 2.07 -1.11 0.82 116.25 118.54 2bs3 h VAL 491 Ca 0.03 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2bs3 h VAL 491 Cb 0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2bs3 h VAL 491 CO -0.01 0.10 0.22 0.11 0.02 0.00 0.00 177.57 178.02 2bs3 h LYS 492 N 0.55 0.81 -0.29 1.57 1.79 -1.30 -1.21 116.57 118.49 2bs3 h LYS 492 Ca 0.23 -0.14 -0.15 0.00 -2.18 0.00 0.00 60.65 58.41 2bs3 h LYS 492 Cb 0.12 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2bs3 h LYS 492 CO -0.15 0.70 -0.42 1.49 -1.08 0.00 0.00 179.45 179.99 2bs3 h GLU 493 N 0.73 0.70 -0.66 3.15 4.81 -0.90 -2.03 114.58 120.39 2bs3 h GLU 493 Ca 0.18 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 2bs3 h GLU 493 Cb 0.19 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2bs3 h GLU 493 CO -0.02 0.99 0.22 -0.07 -0.73 0.00 0.00 179.01 179.40 2bs3 h LEU 494 N 0.57 0.95 -1.00 1.64 3.38 -0.67 0.15 115.31 120.34 2bs3 h LEU 494 Ca 0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2bs3 h LEU 494 Cb 0.96 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2bs3 h LEU 494 CO 0.09 0.90 0.24 -0.08 0.09 0.00 0.00 178.44 179.67 2bs3 h GLU 495 N 0.95 0.96 -0.27 1.13 4.81 -1.11 0.17 114.58 121.22 2bs3 h GLU 495 Ca 0.21 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 2bs3 h GLU 495 Cb 0.28 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2bs3 h GLU 495 CO -0.01 0.80 -0.46 1.49 -0.73 0.00 0.00 179.01 180.10 2bs3 h GLU 496 N 0.94 0.71 -0.68 1.92 4.81 -0.87 -2.21 114.58 119.19 2bs3 h GLU 496 Ca 0.22 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2bs3 h GLU 496 Cb 0.21 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2bs3 h GLU 496 CO -0.02 1.02 0.19 -0.07 -0.73 0.00 0.00 179.01 179.40 2bs3 h LEU 497 N 0.56 1.01 -0.27 1.64 4.07 -0.03 -1.91 115.31 120.39 2bs3 h LEU 497 Ca 0.03 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 2bs3 h LEU 497 Cb 1.02 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 2bs3 h LEU 497 CO 0.10 0.96 0.16 0.22 -1.08 0.00 0.00 178.44 178.80 2bs3 h TYR 498 N 1.01 0.35 -0.92 1.13 3.20 -0.45 -0.48 116.97 120.81 2bs3 h TYR 498 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2bs3 h TYR 498 Cb 0.33 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 2bs3 h TYR 498 CO 0.03 0.27 0.59 0.87 -1.64 0.00 0.00 178.16 178.28 2bs3 h LYS 499 N 0.33 1.23 0.00 1.82 1.57 -1.20 -2.13 116.57 118.19 2bs3 h LYS 499 Ca 0.09 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2bs3 h LYS 499 Cb 0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2bs3 h LYS 499 CO -0.02 0.83 -0.42 0.87 -0.57 0.00 0.00 179.45 180.15 2bs3 h LYS 500 N 1.26 0.00 0.00 3.15 1.57 -0.93 -2.80 116.57 118.81 2bs3 h LYS 500 Ca 0.34 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2bs3 h LYS 500 Cb -0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2bs3 h LYS 500 CO -0.07 0.42 -0.02 0.66 -0.57 0.00 0.00 179.45 179.87 2bs3 h SER 501 N 0.00 0.00 0.79 0.86 4.64 -0.39 0.28 113.55 119.73 2bs3 h SER 501 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bs3 h SER 501 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2bs3 h SER 501 CO 0.05 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 2bs3 n LYS 502 N -3.26 0.16 -0.77 4.77 5.02 -1.06 -3.22 118.16 119.80 2bs3 n LYS 502 Ca -0.02 0.02 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2bs3 n LYS 502 Cb 0.15 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.86 2bs3 n LYS 502 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bs3 n ASN 503 N -1.42 2.48 -4.79 4.39 3.02 0.09 -4.99 115.26 114.04 2bs3 n ASN 503 Ca 0.09 -3.74 -0.36 0.00 -0.03 0.00 0.00 54.58 50.54 2bs3 n ASN 503 Cb 0.28 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 2bs3 n ASN 503 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bs3 s VAL 504 N -3.22 3.97 -0.01 2.41 1.01 -1.20 -1.64 120.40 121.71 2bs3 s VAL 504 Ca 0.44 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.91 2bs3 s VAL 504 Cb 0.40 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2bs3 s VAL 504 CO -0.00 -0.04 -0.13 -0.83 0.00 0.00 0.00 175.10 174.09 2bs3 s GLY 505 N -1.73 0.64 0.17 4.51 0.00 -0.94 -4.15 107.32 105.83 2bs3 s GLY 505 Ca 0.58 -0.57 0.11 0.00 0.00 0.00 0.00 44.72 44.84 2bs3 s GLY 505 CO 0.23 -0.47 -0.24 -0.26 0.00 0.00 0.00 173.10 172.36 2bs3 s ILE 506 N -0.31 2.41 -0.07 0.90 -4.36 -1.26 -4.69 121.20 113.81 2bs3 s ILE 506 Ca 0.05 -1.90 -0.24 0.00 -0.26 0.00 0.00 60.65 58.30 2bs3 s ILE 506 Cb -0.05 -2.13 -0.29 0.00 1.25 0.00 0.00 42.46 41.24 2bs3 s ILE 506 CO -0.00 -0.04 0.89 0.11 0.24 0.00 0.00 174.94 176.13 2bs3 h LYS 507 N 3.41 0.22 -5.87 0.37 1.57 -1.98 -3.44 116.57 110.85 2bs3 h LYS 507 Ca -0.48 -0.34 -0.59 0.00 -1.87 0.00 0.00 60.65 57.37 2bs3 h LYS 507 Cb 1.19 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 2bs3 h LYS 507 CO 0.46 1.14 0.55 -0.80 -0.57 0.00 0.00 179.45 180.22 2bs3 s ASN 508 N -6.70 6.87 0.16 0.86 0.01 -1.26 -4.94 114.94 109.93 2bs3 s ASN 508 Ca -0.15 1.05 0.24 0.00 -0.71 0.00 0.00 52.86 53.29 2bs3 s ASN 508 Cb 0.00 -2.46 0.35 0.00 0.41 0.00 0.00 41.25 39.55 2bs3 s ASN 508 CO 0.79 -0.58 1.35 0.50 -1.51 0.00 0.00 177.10 177.65 2bs3 h LYS 509 N 7.71 0.00 -7.10 -0.60 1.63 -1.90 -3.45 116.57 112.87 2bs3 h LYS 509 Ca -0.22 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.03 2bs3 h LYS 509 Cb 1.08 0.00 0.17 0.00 -0.60 0.00 0.00 32.23 32.89 2bs3 h LYS 509 CO 0.90 0.00 0.37 2.89 -3.45 0.00 0.00 179.45 180.16 2bs3 n ARG 510 N -2.26 0.70 0.05 1.90 1.85 -1.26 -4.94 116.66 112.70 2bs3 n ARG 510 Ca 0.03 0.30 0.11 0.00 -1.00 0.00 0.00 57.85 57.30 2bs3 n ARG 510 Cb 0.46 -2.44 -0.01 0.00 -1.05 0.00 0.00 32.46 29.42 2bs3 n ARG 510 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2bs3 n LEU 511 N -2.28 0.60 -4.93 2.89 4.77 -1.26 -4.81 117.00 111.99 2bs3 n LEU 511 Ca 0.15 0.12 -0.27 0.00 -0.03 0.00 0.00 56.01 55.98 2bs3 n LEU 511 Cb 0.49 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2bs3 n LEU 511 CO 0.48 -0.05 -0.12 -1.38 -1.33 0.00 0.00 177.39 174.99 2bs3 s HIS 512 N -3.31 3.46 -0.46 -1.77 -3.43 -1.26 -4.14 115.29 104.38 2bs3 s HIS 512 Ca 0.00 0.13 -0.12 0.00 -0.80 0.00 0.00 55.06 54.27 2bs3 s HIS 512 Cb 0.13 -1.67 0.02 0.00 -1.43 0.00 0.00 32.58 29.62 2bs3 s HIS 512 CO 0.81 0.53 0.27 0.00 -2.00 0.00 0.00 174.74 174.34 2bs3 n ALA 513 N -0.38 -1.66 -3.99 -1.38 0.00 -0.83 -4.88 120.51 107.40 2bs3 n ALA 513 Ca -0.07 -0.22 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 2bs3 n ALA 513 Cb 0.54 -0.90 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 2bs3 n ALA 513 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2bs3 s ASN 514 N -4.10 4.59 0.52 0.00 3.84 -1.26 -4.97 114.94 113.56 2bs3 s ASN 514 Ca 0.17 -2.51 0.19 0.00 0.21 0.00 0.00 52.86 50.91 2bs3 s ASN 514 Cb -0.09 -1.64 1.33 0.00 -0.55 0.00 0.00 41.25 40.30 2bs3 s ASN 514 CO 0.39 -0.32 2.14 1.55 -2.79 0.00 0.00 177.10 178.06 2bs3 h PRO 515 N 7.15 0.00 -0.26 0.43 0.13 -1.95 -1.81 132.00 135.69 2bs3 h PRO 515 Ca -0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.93 2bs3 h PRO 515 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2bs3 h PRO 515 CO 0.59 0.04 -0.39 1.49 -0.23 0.00 0.00 178.00 179.51 2bs3 h GLU 516 N 0.00 0.72 -0.49 0.86 4.81 -1.94 -2.45 114.58 116.08 2bs3 h GLU 516 Ca -0.00 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 58.73 2bs3 h GLU 516 Cb 0.08 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2bs3 h GLU 516 CO 0.01 1.05 0.02 1.25 -0.73 0.00 0.00 179.01 180.61 2bs3 h LEU 517 N 0.45 0.76 -0.49 1.64 5.85 -1.74 -2.14 115.31 119.63 2bs3 h LEU 517 Ca 0.02 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2bs3 h LEU 517 Cb 0.98 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2bs3 h LEU 517 CO 0.09 0.81 0.25 -0.33 -0.34 0.00 0.00 178.44 178.92 2bs3 h GLU 518 N 0.75 0.48 -0.60 1.25 5.08 -1.17 -1.86 114.58 118.50 2bs3 h GLU 518 Ca 0.15 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2bs3 h GLU 518 Cb 0.42 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2bs3 h GLU 518 CO 0.02 0.31 0.14 0.93 -1.00 0.00 0.00 179.01 179.41 2bs3 h GLU 519 N 0.49 0.95 -0.80 2.33 4.39 -1.10 -1.58 114.58 119.25 2bs3 h GLU 519 Ca 0.22 -0.21 0.13 0.00 0.34 0.00 0.00 59.36 59.84 2bs3 h GLU 519 Cb 0.12 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 2bs3 h GLU 519 CO -0.15 0.85 0.52 0.00 -1.16 0.00 0.00 179.01 179.07 2bs3 h ALA 520 N 1.25 1.92 0.00 3.43 0.00 -0.69 -0.93 119.26 124.24 2bs3 h ALA 520 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2bs3 h ALA 520 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2bs3 h ALA 520 CO 0.00 -0.13 -2.03 2.48 0.00 0.00 0.00 179.25 179.57 2bs3 n TYR 521 N -4.51 0.05 -0.01 0.00 0.18 -1.09 -4.46 117.16 107.31 2bs3 n TYR 521 Ca 0.15 0.02 -0.17 0.00 1.88 0.00 0.00 57.90 59.78 2bs3 n TYR 521 Cb 0.45 -0.63 -0.10 0.00 -0.38 0.00 0.00 39.34 38.68 2bs3 n TYR 521 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2bs3 h ARG 522 N 0.00 0.47 -0.39 -3.48 3.08 -0.94 -3.30 114.38 109.81 2bs3 h ARG 522 Ca -0.11 -0.43 0.07 0.00 0.07 0.00 0.00 59.98 59.57 2bs3 h ARG 522 Cb 1.26 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.36 2bs3 h ARG 522 CO 0.01 1.07 0.03 0.28 -1.07 0.00 0.00 179.97 180.29 2bs3 h VAL 523 N 0.02 0.74 -0.60 2.04 2.07 -1.40 0.11 116.25 119.23 2bs3 h VAL 523 Ca -0.05 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.46 2bs3 h VAL 523 Cb 1.22 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2bs3 h VAL 523 CO 0.11 0.03 0.39 -0.65 0.02 0.00 0.00 177.57 177.47 2bs3 h PRO 524 N 0.14 0.65 -0.27 1.57 0.11 -1.78 0.16 132.00 132.58 2bs3 h PRO 524 Ca 0.19 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 2bs3 h PRO 524 Cb 0.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2bs3 h PRO 524 CO -0.29 0.43 -0.02 0.52 -0.21 0.00 0.00 178.00 178.43 2bs3 h MET 525 N 0.67 0.49 -0.61 1.05 2.86 -1.21 -2.62 114.93 115.56 2bs3 h MET 525 Ca 0.24 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2bs3 h MET 525 Cb 0.13 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2bs3 h MET 525 CO -0.07 0.66 0.31 0.52 1.06 0.00 0.00 176.91 179.40 2bs3 h MET 526 N 0.27 0.86 -0.60 1.72 2.86 0.26 -2.34 114.93 117.96 2bs3 h MET 526 Ca 0.08 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2bs3 h MET 526 Cb 0.45 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2bs3 h MET 526 CO 0.02 0.65 0.12 -0.07 1.06 0.00 0.00 176.91 178.68 2bs3 h LEU 527 N 0.86 0.90 -0.71 1.22 3.38 -0.83 0.24 115.31 120.36 2bs3 h LEU 527 Ca 0.22 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2bs3 h LEU 527 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2bs3 h LEU 527 CO -0.03 0.89 -0.33 0.11 0.09 0.00 0.00 178.44 179.17 2bs3 h LYS 528 N 0.91 0.62 -0.08 1.13 1.57 -1.09 0.24 116.57 119.87 2bs3 h LYS 528 Ca 0.19 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2bs3 h LYS 528 Cb 0.36 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2bs3 h LYS 528 CO 0.00 0.87 0.01 0.28 -0.57 0.00 0.00 179.45 180.04 2bs3 h VAL 529 N 0.53 1.24 -0.97 0.50 2.07 -0.93 -2.39 116.25 116.30 2bs3 h VAL 529 Ca 0.06 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 66.93 2bs3 h VAL 529 Cb 0.82 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 2bs3 h VAL 529 CO 0.07 0.21 0.63 0.00 0.02 0.00 0.00 177.57 178.49 2bs3 h ALA 530 N 0.75 1.48 -0.59 1.67 0.00 -0.29 -1.19 119.26 121.09 2bs3 h ALA 530 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2bs3 h ALA 530 Cb 0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2bs3 h ALA 530 CO 0.00 0.35 0.24 -0.07 0.00 0.00 0.00 179.25 179.78 2bs3 h LEU 531 N 1.08 0.77 -0.82 0.00 3.38 -0.73 0.36 115.31 119.35 2bs3 h LEU 531 Ca 0.44 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 2bs3 h LEU 531 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2bs3 h LEU 531 CO -0.19 0.69 -0.22 0.00 0.09 0.00 0.00 178.44 178.81 2bs3 h VAL 533 N 0.56 0.24 -0.16 0.00 2.07 -0.70 -2.03 116.25 116.23 2bs3 h VAL 533 Ca 0.08 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2bs3 h VAL 533 Cb 0.69 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2bs3 h VAL 533 CO 0.05 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.68 2bs3 h ALA 534 N -0.90 0.13 -0.55 1.67 0.00 -0.97 -0.61 119.26 118.02 2bs3 h ALA 534 Ca -0.06 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2bs3 h ALA 534 Cb 0.55 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2bs3 h ALA 534 CO 0.10 -0.46 0.04 -0.22 0.00 0.00 0.00 179.25 178.72 2bs3 h LYS 535 N 0.04 0.91 -0.44 0.00 1.63 -1.16 -0.27 116.57 117.28 2bs3 h LYS 535 Ca 0.07 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.57 2bs3 h LYS 535 Cb 0.10 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 2bs3 h LYS 535 CO -0.14 0.88 0.03 0.78 -3.45 0.00 0.00 179.45 177.56 2bs3 h GLY 536 N 1.00 0.74 1.02 5.01 0.00 -1.03 -1.49 103.07 108.32 2bs3 h GLY 536 Ca 0.17 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 2bs3 h GLY 536 CO 0.02 0.42 -0.28 0.00 0.00 0.00 0.00 176.54 176.70 2bs3 h ALA 537 N 1.39 0.50 -0.22 3.60 0.00 -0.53 -2.07 119.26 121.92 2bs3 h ALA 537 Ca 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2bs3 h ALA 537 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2bs3 h ALA 537 CO 0.01 0.51 0.09 1.25 0.00 0.00 0.00 179.25 181.11 2bs3 h LEU 538 N 0.58 0.30 -0.91 0.00 5.85 -0.77 -3.14 115.31 117.21 2bs3 h LEU 538 Ca 0.06 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 2bs3 h LEU 538 Cb 0.85 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2bs3 h LEU 538 CO 0.07 0.37 -0.38 0.44 -0.34 0.00 0.00 178.44 178.60 2bs3 h ASP 539 N 0.20 0.00 -1.46 1.25 5.19 -1.30 -3.40 116.42 116.90 2bs3 h ASP 539 Ca 0.07 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.88 2bs3 h ASP 539 Cb 0.16 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.57 2bs3 h ASP 539 CO -0.01 0.38 1.35 -0.60 -3.12 0.00 0.00 179.24 177.25 2bs3 s ARG 540 N -3.60 3.51 -1.36 3.56 3.52 -0.78 -4.91 118.95 118.90 2bs3 s ARG 540 Ca 0.00 -1.02 -0.12 0.00 -0.13 0.00 0.00 55.73 54.45 2bs3 s ARG 540 Cb 0.11 -5.10 0.10 0.00 -1.56 0.00 0.00 34.95 28.50 2bs3 s ARG 540 CO 0.69 -2.15 1.99 0.25 -0.81 0.00 0.00 175.30 175.27 2bs3 n THR 541 N 6.67 3.92 -3.75 4.11 -2.24 -1.26 -4.82 114.28 116.90 2bs3 n THR 541 Ca 0.27 -3.79 -0.02 0.00 -2.27 0.00 0.00 64.05 58.24 2bs3 n THR 541 Cb 0.50 -2.47 -0.00 0.00 -2.10 0.00 0.00 70.33 66.26 2bs3 n THR 541 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2bs3 s GLU 542 N 1.99 0.94 -0.15 -0.78 -1.05 -1.26 -4.92 118.70 113.46 2bs3 s GLU 542 Ca 0.44 -0.54 0.01 0.00 -0.15 0.00 0.00 54.97 54.73 2bs3 s GLU 542 Cb 0.10 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 2bs3 s GLU 542 CO -0.03 -0.43 -0.19 -1.12 0.95 0.00 0.00 175.26 174.43 2bs3 s SER 543 N -3.09 3.29 -0.13 0.83 0.01 -0.63 -4.03 113.70 109.95 2bs3 s SER 543 Ca 0.16 -0.57 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 2bs3 s SER 543 Cb 0.00 -1.49 0.05 0.00 0.21 0.00 0.00 66.02 64.79 2bs3 s SER 543 CO 0.01 0.06 0.31 -0.60 0.41 0.00 0.00 173.24 173.43 2bs3 s ARG 544 N 0.94 0.28 5.12 12.44 3.52 0.74 -2.98 118.95 139.01 2bs3 s ARG 544 Ca -0.04 0.64 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 2bs3 s ARG 544 Cb -0.15 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.17 2bs3 s ARG 544 CO -0.04 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 2bs3 n GLY 545 N 4.30 3.44 0.00 8.12 0.00 -1.26 -0.47 105.19 119.32 2bs3 n GLY 545 Ca -0.24 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.03 2bs3 n GLY 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 n ALA 546 N 11.22 2.42 -2.75 4.61 0.00 0.85 -4.66 120.51 132.19 2bs3 n ALA 546 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2bs3 n ALA 546 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 2bs3 n ALA 546 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bs3 s HIS 547 N -2.92 2.88 -0.28 0.00 5.04 0.38 -4.86 115.29 115.53 2bs3 s HIS 547 Ca 0.16 -0.34 -0.04 0.00 -1.54 0.00 0.00 55.06 53.30 2bs3 s HIS 547 Cb 0.19 -3.91 0.02 0.00 0.04 0.00 0.00 32.58 28.92 2bs3 s HIS 547 CO 0.53 -1.28 0.02 -0.80 -2.34 0.00 0.00 174.74 170.86 2bs3 s ASN 548 N 2.97 4.80 -0.34 9.88 0.01 -1.26 -0.18 114.94 130.81 2bs3 s ASN 548 Ca 0.22 -0.83 -0.11 0.00 -0.71 0.00 0.00 52.86 51.43 2bs3 s ASN 548 Cb -0.16 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.72 2bs3 s ASN 548 CO 0.14 -0.18 0.20 -0.13 -1.51 0.00 0.00 177.10 175.62 2bs3 s ARG 549 N 1.41 3.21 0.48 -0.60 1.81 -1.26 -1.09 118.95 122.91 2bs3 s ARG 549 Ca 0.01 -0.82 0.18 0.00 -1.72 0.00 0.00 55.73 53.37 2bs3 s ARG 549 Cb -0.17 -3.69 1.18 0.00 -0.45 0.00 0.00 34.95 31.82 2bs3 s ARG 549 CO -0.01 -0.52 2.05 0.93 -0.68 0.00 0.00 175.30 177.08 2bs3 h GLU 550 N 8.42 0.00 -0.01 3.54 5.08 -1.09 -0.85 114.58 129.67 2bs3 h GLU 550 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2bs3 h GLU 550 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2bs3 h GLU 550 CO 0.64 0.13 -0.09 -0.40 -1.00 0.00 0.00 179.01 178.29 2bs3 n ASP 551 N -4.22 0.89 -2.96 1.42 5.75 -1.26 -4.17 116.55 111.99 2bs3 n ASP 551 Ca -0.03 -1.02 -0.15 0.00 -0.01 0.00 0.00 54.79 53.58 2bs3 n ASP 551 Cb 0.20 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 2bs3 n ASP 551 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2bs3 n TYR 552 N -0.50 -1.80 0.18 2.11 4.02 -0.41 -5.02 117.16 115.74 2bs3 n TYR 552 Ca 0.17 -2.70 0.09 0.00 -0.01 0.00 0.00 57.90 55.45 2bs3 n TYR 552 Cb 0.30 0.65 0.45 0.00 -0.02 0.00 0.00 39.34 40.71 2bs3 n TYR 552 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2bs3 n PRO 553 N 1.25 0.11 -3.95 -0.72 -0.04 -0.70 -1.91 135.00 129.05 2bs3 n PRO 553 Ca 0.15 0.56 -0.30 0.00 -0.04 0.00 0.00 63.50 63.87 2bs3 n PRO 553 Cb 0.60 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 2bs3 n PRO 553 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bs3 s LYS 554 N -3.38 3.34 -0.19 0.54 1.02 -1.26 -4.62 119.74 115.18 2bs3 s LYS 554 Ca -0.01 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.18 2bs3 s LYS 554 Cb 0.06 -2.96 -0.00 0.00 -0.52 0.00 0.00 37.83 34.40 2bs3 s LYS 554 CO 0.19 0.58 0.96 0.50 -0.92 0.00 0.00 175.35 176.66 2bs3 s ARG 555 N -2.66 4.30 -0.81 1.68 3.52 -0.42 -1.60 118.95 122.96 2bs3 s ARG 555 Ca 0.34 1.23 -0.14 0.00 -0.13 0.00 0.00 55.73 57.03 2bs3 s ARG 555 Cb -0.12 -3.60 0.21 0.00 -1.56 0.00 0.00 34.95 29.87 2bs3 s ARG 555 CO 0.27 -0.47 0.77 0.34 -0.81 0.00 0.00 175.30 175.39 2bs3 s ASP 556 N 1.19 6.72 0.00 -2.12 -1.08 -1.26 0.84 116.67 120.95 2bs3 s ASP 556 Ca 0.42 -2.61 0.23 0.00 -0.52 0.00 0.00 52.55 50.08 2bs3 s ASP 556 Cb -0.16 -2.22 1.27 0.00 -1.46 0.00 0.00 42.92 40.35 2bs3 s ASP 556 CO 0.10 -0.61 1.76 0.47 0.52 0.00 0.00 175.17 177.41 2bs3 n ASP 557 N 4.16 0.00 -0.11 -0.34 8.00 -0.85 -0.62 116.55 126.79 2bs3 n ASP 557 Ca 0.12 -0.37 -0.23 0.00 0.71 0.00 0.00 54.79 55.03 2bs3 n ASP 557 Cb 0.47 -0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.30 2bs3 n ASP 557 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2bs3 n ILE 558 N -1.15 1.54 -0.02 0.53 5.41 -1.26 -4.28 119.36 120.14 2bs3 n ILE 558 Ca 0.14 -0.12 0.08 0.00 1.00 0.00 0.00 62.75 63.85 2bs3 n ILE 558 Cb 0.13 -2.00 -0.16 0.00 -0.71 0.00 0.00 39.64 36.90 2bs3 n ILE 558 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2bs3 n ASN 559 N -4.36 0.18 -0.49 4.38 3.02 -1.22 -4.64 115.26 112.12 2bs3 n ASN 559 Ca -0.36 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.26 2bs3 n ASN 559 Cb 0.73 1.82 0.18 0.00 -0.61 0.00 0.00 39.78 41.91 2bs3 n ASN 559 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2bs3 n TRP 560 N -2.30 0.00 -2.07 3.10 7.02 0.20 -4.82 117.44 118.57 2bs3 n TRP 560 Ca -0.08 -1.30 -0.42 0.00 -1.02 0.00 0.00 57.50 54.69 2bs3 n TRP 560 Cb 0.63 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 2bs3 n TRP 560 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2bs3 n LEU 561 N -1.12 6.85 0.00 -0.99 7.94 -1.22 -4.82 117.00 123.64 2bs3 n LEU 561 Ca 0.17 -4.47 -0.03 0.00 -1.11 0.00 0.00 56.01 50.57 2bs3 n LEU 561 Cb 0.70 -1.54 -0.00 0.00 0.53 0.00 0.00 43.42 43.10 2bs3 n LEU 561 CO -0.03 1.33 0.09 -0.46 -1.11 0.00 0.00 177.39 177.21 2bs3 n ASN 562 N 4.58 -0.48 -4.07 1.96 2.04 -1.26 -1.72 115.26 116.31 2bs3 n ASN 562 Ca 0.46 -1.48 -0.26 0.00 -0.44 0.00 0.00 54.58 52.86 2bs3 n ASN 562 Cb 0.36 0.84 -0.16 0.00 -2.53 0.00 0.00 39.78 38.29 2bs3 n ASN 562 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 2bs3 s ARG 563 N -2.13 1.84 0.06 -3.83 3.52 0.92 -4.89 118.95 114.43 2bs3 s ARG 563 Ca 0.06 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 2bs3 s ARG 563 Cb -0.01 -1.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.82 2bs3 s ARG 563 CO 0.05 0.09 1.14 0.99 -0.81 0.00 0.00 175.30 176.76 2bs3 s THR 564 N 0.48 4.21 -0.23 4.11 2.01 -1.26 -1.38 115.64 123.57 2bs3 s THR 564 Ca -0.12 1.60 0.02 0.00 0.31 0.00 0.00 61.69 63.49 2bs3 s THR 564 Cb -0.15 -4.03 0.04 0.00 0.01 0.00 0.00 72.50 68.38 2bs3 s THR 564 CO 0.04 0.13 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.21 2bs3 s LEU 565 N 0.95 2.94 -0.03 4.42 1.43 0.12 -0.71 118.68 127.80 2bs3 s LEU 565 Ca 0.57 -1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2bs3 s LEU 565 Cb -0.28 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2bs3 s LEU 565 CO 0.29 -0.11 0.09 0.00 0.23 0.00 0.00 176.35 176.85 2bs3 s ALA 566 N 1.20 3.63 0.20 4.21 0.00 0.62 -0.93 121.76 130.70 2bs3 s ALA 566 Ca -0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 2bs3 s ALA 566 Cb -0.17 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2bs3 s ALA 566 CO -0.08 0.67 0.30 -1.54 0.00 0.00 0.00 175.76 175.12 2bs3 s SER 567 N -1.53 0.03 -0.39 0.00 1.04 -0.26 -0.70 113.70 111.89 2bs3 s SER 567 Ca 0.21 -1.03 0.10 0.00 0.48 0.00 0.00 55.95 55.71 2bs3 s SER 567 Cb -0.12 0.47 0.31 0.00 0.10 0.00 0.00 66.02 66.77 2bs3 s SER 567 CO 0.11 -0.96 0.69 1.87 0.98 0.00 0.00 173.24 175.93 2bs3 n TRP 568 N -0.28 -0.39 -0.28 5.02 -0.00 -1.26 -0.60 117.44 119.66 2bs3 n TRP 568 Ca -0.03 -3.52 0.07 0.00 -0.00 0.00 0.00 57.50 54.02 2bs3 n TRP 568 Cb 0.63 -0.17 0.29 0.00 -0.00 0.00 0.00 31.31 32.07 2bs3 n TRP 568 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2bs3 h PRO 569 N 3.42 0.87 -4.81 5.87 0.13 -1.88 -3.37 132.00 132.22 2bs3 h PRO 569 Ca 0.06 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.47 2bs3 h PRO 569 Cb 0.95 -0.20 -0.25 0.00 0.13 0.00 0.00 31.00 31.63 2bs3 h PRO 569 CO 0.45 0.57 -0.61 1.21 -0.23 0.00 0.00 178.00 179.40 2bs3 s ASN 570 N -5.96 5.20 0.13 1.44 3.84 -1.26 -4.83 114.94 113.50 2bs3 s ASN 570 Ca -0.11 -0.63 0.09 0.00 0.21 0.00 0.00 52.86 52.42 2bs3 s ASN 570 Cb 0.20 -1.91 0.48 0.00 -0.55 0.00 0.00 41.25 39.48 2bs3 s ASN 570 CO 0.79 -0.18 1.26 -0.81 -2.79 0.00 0.00 177.10 175.38 2bs3 n PRO 571 N 4.89 0.06 0.03 0.43 -0.04 -1.26 -1.61 135.00 137.50 2bs3 n PRO 571 Ca -0.15 0.55 -0.05 0.00 -0.04 0.00 0.00 63.50 63.82 2bs3 n PRO 571 Cb 0.48 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 2bs3 n PRO 571 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2bs3 h GLU 572 N 0.00 0.00 -7.10 0.54 5.08 -1.95 -3.47 114.58 107.68 2bs3 h GLU 572 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2bs3 h GLU 572 Cb 0.02 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.40 2bs3 h GLU 572 CO 0.00 0.54 0.50 1.14 -1.00 0.00 0.00 179.01 180.19 2bs3 s GLN 573 N -2.75 2.77 0.00 2.33 -2.07 -0.63 -4.94 119.66 114.38 2bs3 s GLN 573 Ca -0.02 1.95 0.12 0.00 -1.82 0.00 0.00 55.36 55.59 2bs3 s GLN 573 Cb 0.09 -1.89 0.11 0.00 -1.09 0.00 0.00 33.01 30.22 2bs3 s GLN 573 CO 0.81 -1.40 0.91 0.25 -1.32 0.00 0.00 175.29 174.54 2bs3 n THR 574 N -1.73 0.06 -4.28 3.63 -2.24 -1.26 -4.97 114.28 103.50 2bs3 n THR 574 Ca 0.15 -0.53 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 2bs3 n THR 574 Cb 0.49 1.20 -0.13 0.00 -2.10 0.00 0.00 70.33 69.79 2bs3 n THR 574 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bs3 s LEU 575 N -1.01 2.17 0.65 3.22 1.43 -1.26 -4.86 118.68 119.02 2bs3 s LEU 575 Ca 0.15 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 2bs3 s LEU 575 Cb 0.10 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.84 2bs3 s LEU 575 CO 0.15 -0.01 1.10 -2.16 0.23 0.00 0.00 176.35 175.67 2bs3 s PRO 576 N -1.08 2.85 -0.17 1.29 0.04 -1.26 -4.99 135.00 131.68 2bs3 s PRO 576 Ca -0.00 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.23 2bs3 s PRO 576 Cb -0.07 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2bs3 s PRO 576 CO 0.01 -1.20 0.36 0.99 0.04 0.00 0.00 177.00 177.20 2bs3 s THR 577 N -2.39 5.25 -0.09 1.26 2.01 0.24 -4.93 115.64 116.98 2bs3 s THR 577 Ca 0.66 0.67 0.02 0.00 0.31 0.00 0.00 61.69 63.35 2bs3 s THR 577 Cb -0.20 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2bs3 s THR 577 CO 0.42 0.32 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.77 2bs3 s LEU 578 N 0.83 2.71 0.27 4.42 1.43 -1.26 -1.10 118.68 125.98 2bs3 s LEU 578 Ca 0.19 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2bs3 s LEU 578 Cb -0.14 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2bs3 s LEU 578 CO 0.07 0.25 0.10 -1.61 0.23 0.00 0.00 176.35 175.38 2bs3 s GLU 579 N -0.17 1.46 -0.01 1.70 2.02 -0.10 -4.98 118.70 118.61 2bs3 s GLU 579 Ca -0.00 -1.80 0.03 0.00 0.02 0.00 0.00 54.97 53.22 2bs3 s GLU 579 Cb -0.13 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 33.76 2bs3 s GLU 579 CO 0.03 -0.30 -0.11 0.71 0.02 0.00 0.00 175.26 175.62 2bs3 s TYR 580 N -3.68 0.99 -0.30 1.61 1.51 -1.26 -0.70 117.35 115.51 2bs3 s TYR 580 Ca 0.37 -0.19 -0.07 0.00 -1.01 0.00 0.00 57.07 56.18 2bs3 s TYR 580 Cb 0.08 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 2bs3 s TYR 580 CO 0.14 -0.02 0.08 -2.00 -1.11 0.00 0.00 175.55 172.64 2bs3 s GLU 581 N -0.22 3.04 0.29 -0.62 2.12 -0.48 -4.93 118.70 117.90 2bs3 s GLU 581 Ca 0.04 -0.89 -0.28 0.00 0.36 0.00 0.00 54.97 54.20 2bs3 s GLU 581 Cb -0.05 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 2bs3 s GLU 581 CO -0.00 -0.46 1.02 0.00 -0.54 0.00 0.00 175.26 175.28 2bs3 s ALA 582 N 1.49 3.31 -0.17 6.30 0.00 -1.26 -0.06 121.76 131.37 2bs3 s ALA 582 Ca 0.02 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.52 2bs3 s ALA 582 Cb -0.17 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2bs3 s ALA 582 CO 0.02 -0.01 0.57 -0.51 0.00 0.00 0.00 175.76 175.83 2bs3 s LEU 583 N -1.62 4.18 -0.43 0.00 1.43 -0.70 -4.92 118.68 116.62 2bs3 s LEU 583 Ca 0.46 0.80 -0.25 0.00 -1.03 0.00 0.00 54.13 54.11 2bs3 s LEU 583 Cb -0.27 -2.80 0.02 0.00 0.03 0.00 0.00 46.19 43.17 2bs3 s LEU 583 CO 0.34 -0.18 0.91 -0.62 0.23 0.00 0.00 176.35 177.04 2bs3 s ASP 584 N 1.05 6.55 0.56 2.29 -1.08 -1.26 -4.91 116.67 119.86 2bs3 s ASP 584 Ca 0.27 0.25 0.24 0.00 -0.52 0.00 0.00 52.55 52.79 2bs3 s ASP 584 Cb -0.16 -2.45 1.55 0.00 -1.46 0.00 0.00 42.92 40.41 2bs3 s ASP 584 CO 0.11 -0.97 2.17 0.58 0.52 0.00 0.00 175.17 177.57 2bs3 h VAL 585 N 5.99 0.71 0.00 1.11 2.07 -1.95 -1.34 116.25 122.83 2bs3 h VAL 585 Ca -0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2bs3 h VAL 585 Cb 1.08 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2bs3 h VAL 585 CO 1.01 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 179.27 2bs3 h ASN 586 N 0.00 0.00 -0.56 0.57 -0.26 -1.93 -1.76 115.58 111.64 2bs3 h ASN 586 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2bs3 h ASN 586 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 2bs3 h ASN 586 CO -0.00 0.11 0.00 -0.62 -1.06 0.00 0.00 177.43 175.86 2bs3 n GLU 587 N -3.79 3.69 -3.79 0.81 1.02 -0.51 -4.91 120.64 113.16 2bs3 n GLU 587 Ca -0.02 -2.61 -0.35 0.00 -0.02 0.00 0.00 57.16 54.16 2bs3 n GLU 587 Cb 0.21 -1.92 -0.09 0.00 -0.02 0.00 0.00 31.44 29.62 2bs3 n GLU 587 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2bs3 s MET 588 N -1.99 4.11 0.32 3.49 -1.94 -0.66 -4.77 119.30 117.85 2bs3 s MET 588 Ca 0.46 -0.26 0.15 0.00 -1.71 0.00 0.00 55.69 54.33 2bs3 s MET 588 Cb 0.31 -3.38 0.44 0.00 2.01 0.00 0.00 34.83 34.21 2bs3 s MET 588 CO 0.20 0.25 1.63 1.49 -0.01 0.00 0.00 175.02 178.58 2bs3 h GLU 589 N 6.82 0.00 -4.19 2.03 4.81 -1.87 -3.41 114.58 118.77 2bs3 h GLU 589 Ca -0.39 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.27 2bs3 h GLU 589 Cb 1.16 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.16 2bs3 h GLU 589 CO 0.73 0.50 -0.79 0.42 -0.73 0.00 0.00 179.01 179.14 2bs3 s ILE 590 N -3.44 1.18 0.56 2.32 1.01 -1.26 -5.01 121.20 116.57 2bs3 s ILE 590 Ca 0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 2bs3 s ILE 590 Cb 0.11 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 2bs3 s ILE 590 CO 0.72 0.07 1.14 0.00 0.00 0.00 0.00 174.94 176.88 2bs3 s ALA 591 N 1.59 2.65 0.42 9.38 0.00 -1.26 -4.95 121.76 129.59 2bs3 s ALA 591 Ca -0.01 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 2bs3 s ALA 591 Cb -0.16 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 2bs3 s ALA 591 CO -0.08 -0.87 0.96 -2.30 0.00 0.00 0.00 175.76 173.47 2bs3 n PRO 592 N -1.43 1.25 0.00 0.00 -0.02 -1.26 -4.94 135.00 128.60 2bs3 n PRO 592 Ca 0.12 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2bs3 n PRO 592 Cb 0.51 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2bs3 n PRO 592 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bs3 n GLY 593 N 1.25 2.64 3.69 -1.23 0.00 -1.26 -4.93 105.19 105.35 2bs3 n GLY 593 Ca 0.10 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2bs3 n GLY 593 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bs3 s TYR 594 N -0.32 3.51 -0.70 1.61 5.04 -1.26 -4.94 117.35 120.30 2bs3 s TYR 594 Ca 0.00 1.44 0.20 0.00 -2.44 0.00 0.00 57.07 56.28 2bs3 s TYR 594 Cb 0.00 -3.06 0.85 0.00 0.35 0.00 0.00 41.96 40.09 2bs3 s TYR 594 CO 0.00 -0.15 1.63 2.89 -1.34 0.00 0.00 175.55 178.58 2bs3 n ARG 595 N 4.73 0.12 0.00 4.97 1.85 -1.26 -4.91 116.66 122.16 2bs3 n ARG 595 Ca 0.05 0.34 0.00 0.00 -1.00 0.00 0.00 57.85 57.24 2bs3 n ARG 595 Cb 0.49 -1.72 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 2bs3 n ARG 595 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2bs3 n GLY 596 N 0.09 3.08 3.65 2.89 0.00 -1.26 -4.57 105.19 109.07 2bs3 n GLY 596 Ca 0.03 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 2bs3 n GLY 596 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bs3 s TYR 597 N -0.68 2.95 0.00 1.61 -0.85 -1.26 -5.03 117.35 114.08 2bs3 s TYR 597 Ca 0.00 -0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.52 2bs3 s TYR 597 Cb 0.00 -1.55 0.00 0.00 0.38 0.00 0.00 41.96 40.79 2bs3 s TYR 597 CO 0.00 0.45 0.00 0.41 -1.52 0.00 0.00 175.55 174.89 2bs3 n GLY 598 N 0.89 -3.48 3.75 5.49 0.00 -1.26 -4.96 105.19 105.63 2bs3 n GLY 598 Ca -0.13 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 2bs3 n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 s ALA 599 N -1.04 2.81 0.52 4.61 0.00 -1.26 -5.02 121.76 122.39 2bs3 s ALA 599 Ca 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 2bs3 s ALA 599 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2bs3 s ALA 599 CO 0.00 -1.19 0.84 0.15 0.00 0.00 0.00 175.76 175.56 2bs3 s LYS 600 N -2.92 3.37 -1.32 0.00 1.02 -1.26 -4.10 119.74 114.54 2bs3 s LYS 600 Ca 0.71 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.88 2bs3 s LYS 600 Cb -0.36 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2bs3 s LYS 600 CO 0.43 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 2bs3 n GLY 601 N -2.39 0.13 1.74 -3.33 0.00 -1.26 -4.82 105.19 95.25 2bs3 n GLY 601 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2bs3 n GLY 601 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bs3 n ASN 602 N -1.44 3.98 -3.96 1.61 4.05 -1.26 -4.89 115.26 113.36 2bs3 n ASN 602 Ca -0.16 -2.96 -0.15 0.00 0.45 0.00 0.00 54.58 51.76 2bs3 n ASN 602 Cb 0.57 -0.70 -0.14 0.00 1.23 0.00 0.00 39.78 40.74 2bs3 n ASN 602 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 2bs3 s TYR 603 N -2.36 0.45 -0.50 1.20 -0.85 -1.26 -1.29 117.35 112.73 2bs3 s TYR 603 Ca 0.41 -0.10 -0.28 0.00 -0.52 0.00 0.00 57.07 56.58 2bs3 s TYR 603 Cb 0.33 -0.29 0.03 0.00 0.38 0.00 0.00 41.96 42.42 2bs3 s TYR 603 CO 0.10 -0.01 1.09 0.42 -1.52 0.00 0.00 175.55 175.63 2bs3 s ILE 604 N -0.17 4.23 0.39 -3.49 1.01 0.25 -4.89 121.20 118.52 2bs3 s ILE 604 Ca 0.01 1.02 -0.27 0.00 0.00 0.00 0.00 60.65 61.42 2bs3 s ILE 604 Cb -0.02 -4.59 -0.09 0.00 0.01 0.00 0.00 42.46 37.77 2bs3 s ILE 604 CO -0.00 -1.04 1.30 -0.70 0.00 0.00 0.00 174.94 174.49 2bs3 s GLU 605 N 4.38 4.06 -0.22 2.79 2.12 -1.26 -2.01 118.70 128.55 2bs3 s GLU 605 Ca 0.44 2.15 -0.08 0.00 0.36 0.00 0.00 54.97 57.84 2bs3 s GLU 605 Cb -0.08 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 2bs3 s GLU 605 CO 0.29 -0.42 0.10 1.21 -0.54 0.00 0.00 175.26 175.90 2bs3 s ASN 606 N -0.71 5.64 0.40 -1.70 3.84 -1.26 -4.73 114.94 116.42 2bs3 s ASN 606 Ca 0.55 -0.00 0.18 0.00 0.21 0.00 0.00 52.86 53.80 2bs3 s ASN 606 Cb -0.38 -2.00 1.10 0.00 -0.55 0.00 0.00 41.25 39.43 2bs3 s ASN 606 CO 0.49 0.07 1.79 1.55 -2.79 0.00 0.00 177.10 178.21 2bs3 h PRO 607 N 7.46 0.38 -0.06 0.43 0.13 -1.95 0.30 132.00 138.70 2bs3 h PRO 607 Ca -0.37 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2bs3 h PRO 607 Cb 1.17 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2bs3 h PRO 607 CO 0.64 0.25 -0.15 -0.07 -0.23 0.00 0.00 178.00 178.45 2bs3 h LEU 608 N 0.39 0.08 -0.44 1.56 4.07 -1.98 -2.38 115.31 116.62 2bs3 h LEU 608 Ca 0.57 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.48 2bs3 h LEU 608 Cb 1.45 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 43.15 2bs3 h LEU 608 CO -0.26 0.24 0.15 0.28 -1.08 0.00 0.00 178.44 177.77 2bs3 h SER 609 N 0.08 0.62 -0.62 -0.43 0.02 -0.78 -1.16 113.55 111.28 2bs3 h SER 609 Ca 0.02 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 2bs3 h SER 609 Cb 0.32 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2bs3 h SER 609 CO 0.02 0.65 0.24 0.58 -1.14 0.00 0.00 176.83 177.18 2bs3 h VAL 610 N 0.56 1.23 0.36 2.27 2.07 -1.39 -0.17 116.25 121.18 2bs3 h VAL 610 Ca 0.14 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2bs3 h VAL 610 Cb 0.24 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2bs3 h VAL 610 CO -0.01 0.29 -0.18 0.50 0.02 0.00 0.00 177.57 178.19 2bs3 h LYS 611 N 0.87 -0.47 -0.84 1.57 3.64 -1.23 -2.09 116.57 118.02 2bs3 h LYS 611 Ca 0.21 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 2bs3 h LYS 611 Cb 0.21 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2bs3 h LYS 611 CO -0.02 -0.31 0.53 -0.09 -2.27 0.00 0.00 179.45 177.29 2bs3 h ARG 612 N -0.49 0.97 -0.37 1.90 9.65 -1.08 -1.54 114.38 123.42 2bs3 h ARG 612 Ca -0.05 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 2bs3 h ARG 612 Cb 0.38 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 2bs3 h ARG 612 CO 0.08 0.64 0.14 0.37 2.80 0.00 0.00 179.97 184.00 2bs3 h GLN 613 N 1.00 0.30 -0.58 0.20 5.75 -0.79 0.11 115.11 121.10 2bs3 h GLN 613 Ca 0.35 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 2bs3 h GLN 613 Cb 0.08 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 2bs3 h GLN 613 CO -0.14 0.20 0.36 0.93 -2.65 0.00 0.00 178.83 177.53 2bs3 h GLU 614 N 0.30 0.77 -0.81 1.69 5.08 -0.90 -0.48 114.58 120.24 2bs3 h GLU 614 Ca 0.17 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2bs3 h GLU 614 Cb 0.13 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2bs3 h GLU 614 CO -0.16 0.54 0.53 1.49 -1.00 0.00 0.00 179.01 180.41 2bs3 h GLU 615 N 0.78 0.94 0.07 2.33 4.81 -0.47 -0.89 114.58 122.15 2bs3 h GLU 615 Ca 0.21 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2bs3 h GLU 615 Cb -0.05 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.12 2bs3 h GLU 615 CO -0.04 0.62 -0.03 0.82 -0.73 0.00 0.00 179.01 179.65 2bs3 h ILE 616 N 0.97 1.21 -0.95 2.32 2.04 0.03 -2.26 117.51 120.87 2bs3 h ILE 616 Ca 0.33 -1.04 0.13 0.00 1.00 0.00 0.00 64.86 65.27 2bs3 h ILE 616 Cb 0.08 1.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 2bs3 h ILE 616 CO -0.10 0.26 0.61 0.44 0.00 0.00 0.00 178.15 179.35 2bs3 h ASP 617 N -0.57 0.82 0.61 1.72 3.32 -0.78 -0.75 116.42 120.79 2bs3 h ASP 617 Ca -0.01 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2bs3 h ASP 617 Cb 0.49 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.92 2bs3 h ASP 617 CO 0.01 0.43 -0.29 0.50 -1.72 0.00 0.00 179.24 178.17 2bs3 h LYS 618 N 0.87 -0.79 -0.98 3.56 3.64 -1.13 -1.76 116.57 119.99 2bs3 h LYS 618 Ca 0.47 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 60.03 2bs3 h LYS 618 Cb 0.56 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.48 2bs3 h LYS 618 CO -0.24 -0.48 0.60 0.82 -2.27 0.00 0.00 179.45 177.89 2bs3 h ILE 619 N -1.02 0.88 0.63 2.00 2.04 -0.99 -1.65 117.51 119.38 2bs3 h ILE 619 Ca -0.08 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 2bs3 h ILE 619 Cb 0.68 -0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2bs3 h ILE 619 CO 0.14 0.17 -0.30 1.56 0.00 0.00 0.00 178.15 179.71 2bs3 h GLN 620 N 0.92 -0.81 -0.19 2.37 4.20 -1.10 -2.32 115.11 118.17 2bs3 h GLN 620 Ca 0.50 0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.30 2bs3 h GLN 620 Cb 0.54 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.44 2bs3 h GLN 620 CO -0.29 -0.50 -0.48 0.77 -0.67 0.00 0.00 178.83 177.66 2bs3 h SER 621 N -0.96 -1.52 0.09 1.46 0.02 -0.85 0.67 113.55 112.46 2bs3 h SER 621 Ca -0.09 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2bs3 h SER 621 Cb 0.68 0.62 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 2bs3 h SER 621 CO 0.14 -0.44 -0.44 -0.33 -1.14 0.00 0.00 176.83 174.62 2bs3 h GLU 622 N -0.50 -0.63 -0.59 3.45 5.08 -1.36 0.42 114.58 120.46 2bs3 h GLU 622 Ca 0.07 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2bs3 h GLU 622 Cb 0.64 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2bs3 h GLU 622 CO -0.45 -0.42 0.24 -0.07 -1.00 0.00 0.00 179.01 177.31 2bs3 h LEU 623 N -0.65 0.77 -0.83 1.33 3.38 -1.19 -1.00 115.31 117.13 2bs3 h LEU 623 Ca 0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2bs3 h LEU 623 Cb 0.69 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2bs3 h LEU 623 CO -0.27 0.68 -0.15 -0.08 0.09 0.00 0.00 178.44 178.71 2bs3 h GLU 624 N 0.83 0.72 -0.16 1.13 4.81 0.95 -1.94 114.58 120.92 2bs3 h GLU 624 Ca 0.20 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 2bs3 h GLU 624 Cb 0.15 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2bs3 h GLU 624 CO -0.02 0.83 -0.51 0.00 -0.73 0.00 0.00 179.01 178.58 2bs3 h ALA 625 N 1.19 0.81 0.00 2.92 0.00 0.40 -2.60 119.26 121.99 2bs3 h ALA 625 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bs3 h ALA 625 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2bs3 h ALA 625 CO 0.04 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2bs3 n ALA 626 N -2.50 2.28 -3.33 0.00 0.00 -0.43 -4.85 120.51 111.68 2bs3 n ALA 626 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2bs3 n ALA 626 Cb 0.57 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.10 2bs3 n ALA 626 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bs3 n GLY 627 N 0.26 -0.79 3.73 0.00 0.00 -0.98 -5.02 105.19 102.40 2bs3 n GLY 627 Ca 0.00 0.36 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 2bs3 n GLY 627 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bs3 s LYS 628 N -4.84 2.88 0.75 1.61 2.47 -0.77 -5.04 119.74 116.81 2bs3 s LYS 628 Ca 0.24 -0.59 -0.12 0.00 -1.56 0.00 0.00 55.97 53.95 2bs3 s LYS 628 Cb -0.03 -2.74 0.04 0.00 -1.46 0.00 0.00 37.83 33.64 2bs3 s LYS 628 CO 0.73 0.62 1.11 0.16 0.16 0.00 0.00 175.35 178.13 2bs3 s ASP 629 N -1.78 5.04 0.59 1.43 1.47 -1.26 -4.73 116.67 117.44 2bs3 s ASP 629 Ca 0.22 1.12 0.30 0.00 1.18 0.00 0.00 52.55 55.37 2bs3 s ASP 629 Cb -0.12 -1.85 1.80 0.00 -0.34 0.00 0.00 42.92 42.41 2bs3 s ASP 629 CO 0.14 -1.60 2.22 0.08 0.68 0.00 0.00 175.17 176.69 2bs3 h ARG 630 N -0.84 0.00 -0.04 2.11 0.11 -1.99 -2.14 114.38 111.60 2bs3 h ARG 630 Ca -0.46 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.60 2bs3 h ARG 630 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2bs3 h ARG 630 CO 0.63 0.00 -0.07 0.45 0.10 0.00 0.00 179.97 181.08 2bs3 h HIS 631 N 0.00 0.14 -0.43 4.08 3.86 -1.99 -1.64 115.15 119.16 2bs3 h HIS 631 Ca 0.02 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 2bs3 h HIS 631 Cb 0.11 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 2bs3 h HIS 631 CO 0.00 0.66 0.00 0.00 0.86 0.00 0.00 177.93 179.45 2bs3 h ALA 632 N 0.46 1.20 -0.41 2.45 0.00 -1.83 -1.92 119.26 119.21 2bs3 h ALA 632 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2bs3 h ALA 632 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2bs3 h ALA 632 CO 0.02 0.53 0.06 0.82 0.00 0.00 0.00 179.25 180.67 2bs3 h ILE 633 N 0.66 1.24 -0.29 0.00 2.04 -1.41 -2.34 117.51 117.42 2bs3 h ILE 633 Ca 0.13 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.12 2bs3 h ILE 633 Cb 0.41 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2bs3 h ILE 633 CO 0.02 0.31 0.14 -0.61 0.00 0.00 0.00 178.15 178.00 2bs3 h GLN 634 N 0.53 0.28 -0.93 2.37 -0.00 -0.91 -1.54 115.11 114.91 2bs3 h GLN 634 Ca 0.12 -0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.81 2bs3 h GLN 634 Cb 0.39 -0.06 -0.06 0.00 0.00 0.00 0.00 27.48 27.74 2bs3 h GLN 634 CO 0.01 0.19 0.61 0.93 0.00 0.00 0.00 178.83 180.56 2bs3 h GLU 635 N 0.29 1.08 -0.07 1.69 5.08 -1.24 -0.20 114.58 121.20 2bs3 h GLU 635 Ca 0.12 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2bs3 h GLU 635 Cb 0.05 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2bs3 h GLU 635 CO -0.09 0.71 -0.42 0.00 -1.00 0.00 0.00 179.01 178.21 2bs3 h ALA 636 N 1.48 1.16 0.11 3.43 0.00 -0.84 -3.14 119.26 121.46 2bs3 h ALA 636 Ca 0.39 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2bs3 h ALA 636 Cb 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bs3 h ALA 636 CO -0.13 0.58 -0.84 -0.07 0.00 0.00 0.00 179.25 178.78 2bs3 h LEU 637 N 0.13 0.37 -5.96 0.00 3.38 -0.40 -3.46 115.31 109.38 2bs3 h LEU 637 Ca 0.01 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 2bs3 h LEU 637 Cb 0.81 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.24 2bs3 h LEU 637 CO 0.06 1.39 -0.41 -0.32 0.09 0.00 0.00 178.44 179.25 2bs3 s MET 638 N -2.41 0.72 0.34 1.13 0.00 -0.17 -4.66 119.30 114.24 2bs3 s MET 638 Ca -0.16 -0.06 -0.28 0.00 0.00 0.00 0.00 55.69 55.19 2bs3 s MET 638 Cb 0.01 0.13 -0.10 0.00 0.00 0.00 0.00 34.83 34.87 2bs3 s MET 638 CO 0.79 -1.10 1.25 -1.25 0.00 0.00 0.00 175.02 174.71 2bs3 s PRO 639 N 2.09 4.34 0.20 4.11 0.04 -1.19 -4.67 135.00 139.92 2bs3 s PRO 639 Ca 0.15 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.30 2bs3 s PRO 639 Cb -0.05 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 2bs3 s PRO 639 CO -0.12 -0.15 -0.02 1.52 0.04 0.00 0.00 177.00 178.27 2bs3 s TYR 640 N -1.19 1.39 0.13 0.56 1.13 -1.26 -5.01 117.35 113.09 2bs3 s TYR 640 Ca 0.50 -0.93 0.03 0.00 -1.41 0.00 0.00 57.07 55.25 2bs3 s TYR 640 Cb -0.37 -0.79 -0.04 0.00 -1.10 0.00 0.00 41.96 39.67 2bs3 s TYR 640 CO 0.48 -0.09 0.18 -2.00 -2.51 0.00 0.00 175.55 171.62 2bs3 s GLU 641 N -3.87 3.16 -0.15 -3.49 2.56 -1.26 -5.09 118.70 110.56 2bs3 s GLU 641 Ca 0.25 -0.68 -0.16 0.00 0.00 0.00 0.00 54.97 54.38 2bs3 s GLU 641 Cb 0.05 -2.83 0.04 0.00 2.00 0.00 0.00 34.13 33.40 2bs3 s GLU 641 CO 0.06 0.53 0.44 -0.51 -0.56 0.00 0.00 175.26 175.23 2bs3 s LEU 642 N -2.90 0.30 0.55 2.70 1.43 -1.26 -4.79 118.68 114.71 2bs3 s LEU 642 Ca 0.32 0.82 -0.21 0.00 -1.03 0.00 0.00 54.13 54.03 2bs3 s LEU 642 Cb -0.11 1.55 -0.05 0.00 0.03 0.00 0.00 46.19 47.61 2bs3 s LEU 642 CO 0.25 -0.20 1.31 -2.65 0.23 0.00 0.00 176.35 175.29 2bs3 n PRO 643 N 2.61 1.57 -0.26 1.29 -0.02 -1.26 -4.78 135.00 134.16 2bs3 n PRO 643 Ca -0.14 0.58 0.03 0.00 -2.02 0.00 0.00 63.50 61.95 2bs3 n PRO 643 Cb 0.57 -2.52 0.12 0.00 -0.02 0.00 0.00 33.50 31.65 2bs3 n PRO 643 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bs3 h ALA 644 N 1.29 0.64 -0.19 3.55 0.00 -2.01 -0.55 119.26 121.99 2bs3 h ALA 644 Ca -0.50 0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2bs3 h ALA 644 Cb 1.31 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 2bs3 h ALA 644 CO 0.56 -0.42 0.37 -0.22 0.00 0.00 0.00 179.25 179.53 2bs3 h LYS 645 N 0.05 0.00 -0.11 0.00 3.64 -2.03 -1.84 116.57 116.28 2bs3 h LYS 645 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2bs3 h LYS 645 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2bs3 h LYS 645 CO -0.71 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.13 2bs3 n TYR 646 N -3.33 0.33 0.25 1.91 4.01 -0.23 -4.68 117.16 115.43 2bs3 n TYR 646 Ca 0.02 -0.85 0.15 0.00 -0.16 0.00 0.00 57.90 57.06 2bs3 n TYR 646 Cb 0.47 -0.18 0.52 0.00 -0.31 0.00 0.00 39.34 39.85 2bs3 n TYR 646 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2bs3 h LYS 647 N 0.73 0.00 -7.24 -0.72 1.63 -1.20 -3.47 116.57 106.30 2bs3 h LYS 647 Ca 0.00 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.27 2bs3 h LYS 647 Cb 1.05 0.00 0.19 0.00 -0.60 0.00 0.00 32.23 32.87 2bs3 h LYS 647 CO 0.07 0.04 0.28 0.00 -3.45 0.00 0.00 179.45 176.38 2bs3 s ALA 648 N -3.54 1.65 0.59 5.00 0.00 -1.26 -5.02 121.76 119.18 2bs3 s ALA 648 Ca 0.03 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 52.63 2bs3 s ALA 648 Cb 0.08 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2bs3 s ALA 648 CO 0.59 -2.54 0.91 1.03 0.00 0.00 0.00 175.76 175.75 2bs3 s ARG 649 N -4.42 2.97 -0.37 0.00 0.52 -1.26 -5.04 118.95 111.35 2bs3 s ARG 649 Ca 0.70 0.06 -0.13 0.00 -0.52 0.00 0.00 55.73 55.84 2bs3 s ARG 649 Cb -0.25 -2.25 0.01 0.00 0.52 0.00 0.00 34.95 32.97 2bs3 s ARG 649 CO 0.54 -0.70 0.25 -0.80 0.02 0.00 0.00 175.30 174.62 2bs3 s ASN 650 N -4.29 5.97 0.33 0.23 0.01 -1.26 -5.06 114.94 110.87 2bs3 s ASN 650 Ca 0.54 -0.71 -0.29 0.00 -0.71 0.00 0.00 52.86 51.69 2bs3 s ASN 650 Cb -0.11 -2.11 -0.10 0.00 0.41 0.00 0.00 41.25 39.34 2bs3 s ASN 650 CO 0.46 -0.34 1.36 -0.70 -1.51 0.00 0.00 177.10 176.37 2bs3 s GLU 651 N 1.67 4.29 0.14 -0.60 2.12 -1.26 -5.02 118.70 120.05 2bs3 s GLU 651 Ca 0.05 2.30 0.04 0.00 0.36 0.00 0.00 54.97 57.71 2bs3 s GLU 651 Cb -0.18 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 2bs3 s GLU 651 CO 0.09 -0.29 -0.08 1.03 -0.54 0.00 0.00 175.26 175.47 2bs3 s ARG 652 N -1.65 1.02 -0.20 4.30 0.52 -1.26 -5.09 118.95 116.58 2bs3 s ARG 652 Ca 0.51 -1.44 -0.29 0.00 -0.52 0.00 0.00 55.73 54.00 2bs3 s ARG 652 Cb -0.41 -0.49 -0.05 0.00 0.52 0.00 0.00 34.95 34.52 2bs3 s ARG 652 CO 0.54 0.03 2.00 -1.17 0.02 0.00 0.00 175.30 176.72 2bs3 s LEU 653 N -3.14 3.67 0.00 2.53 2.96 -1.26 -2.24 118.68 121.19 2bs3 s LEU 653 Ca 0.17 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 2bs3 s LEU 653 Cb 0.04 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.21 2bs3 s LEU 653 CO -0.00 -1.67 0.00 0.61 -1.32 0.00 0.00 176.35 173.97 2bs3 n GLY 654 N 5.35 1.97 3.48 7.98 0.00 -1.26 -4.99 105.19 117.72 2bs3 n GLY 654 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2bs3 n GLY 654 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bs3 n ASP 655 N 0.00 -1.35 0.00 1.61 8.00 -0.95 -5.25 116.55 118.61 2bs3 n ASP 655 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2bs3 n ASP 655 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 2bs3 n ASP 655 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98