#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3e s ARG 2 N 0.00 3.23 -0.13 2.12 0.52 -1.26 0.91 118.95 124.34 3g3e s ARG 2 Ca 0.00 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3g3e s ARG 2 Cb 0.00 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 3g3e s ARG 2 CO 0.00 -0.48 -0.12 0.08 0.02 0.00 0.00 175.30 174.80 3g3e s VAL 3 N 1.60 3.14 -0.22 3.52 1.01 0.28 -0.18 120.40 129.56 3g3e s VAL 3 Ca 0.04 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3g3e s VAL 3 Cb -0.18 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3g3e s VAL 3 CO 0.06 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 174.88 3g3e s VAL 4 N 0.34 2.56 -0.26 2.92 1.01 0.12 -1.39 120.40 125.70 3g3e s VAL 4 Ca -0.10 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 3g3e s VAL 4 Cb -0.16 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3g3e s VAL 4 CO 0.05 0.34 0.46 -0.69 0.00 0.00 0.00 175.10 175.27 3g3e s VAL 5 N 1.31 5.11 -0.42 2.92 1.01 -0.07 -0.38 120.40 129.88 3g3e s VAL 5 Ca 0.02 0.76 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 3g3e s VAL 5 Cb -0.15 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3g3e s VAL 5 CO -0.08 0.12 0.42 -0.63 0.00 0.00 0.00 175.10 174.93 3g3e s ILE 6 N 2.18 5.11 0.00 2.22 1.01 0.41 0.27 121.20 132.40 3g3e s ILE 6 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3g3e s ILE 6 Cb -0.16 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3g3e s ILE 6 CO 0.09 -0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.25 3g3e n GLY 7 N 5.11 3.78 0.39 6.18 0.00 0.18 -0.93 105.19 119.90 3g3e n GLY 7 Ca -0.08 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 44.60 3g3e n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3e n ALA 8 N -0.06 2.42 -1.00 4.61 0.00 -1.26 -4.06 120.51 121.16 3g3e n ALA 8 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.17 3g3e n ALA 8 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3g3e n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g3e n GLY 9 N -0.83 -1.34 0.28 0.00 0.00 -1.26 -4.55 105.19 97.48 3g3e n GLY 9 Ca 0.11 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 3g3e n GLY 9 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3e h VAL 10 N -0.79 1.22 0.03 1.61 3.04 -1.95 -1.85 116.25 117.56 3g3e h VAL 10 Ca 0.00 -0.59 -0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3g3e h VAL 10 Cb 0.00 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 3g3e h VAL 10 CO 0.00 0.25 -0.02 0.40 -1.01 0.00 0.00 177.57 177.19 3g3e h ILE 11 N 0.91 1.13 0.55 3.17 1.08 -1.92 0.32 117.51 122.75 3g3e h ILE 11 Ca 0.23 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 3g3e h ILE 11 Cb 0.09 1.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.30 3g3e h ILE 11 CO -0.03 0.13 -0.34 1.23 -0.69 0.00 0.00 178.15 178.44 3g3e h GLY 12 N -0.26 -1.02 1.03 5.37 0.00 -1.71 -1.23 103.07 105.25 3g3e h GLY 12 Ca -0.00 0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.79 3g3e h GLY 12 CO 0.01 -0.35 0.53 1.41 0.00 0.00 0.00 176.54 178.14 3g3e h LEU 13 N -0.84 0.83 0.86 3.11 3.38 -1.34 0.45 115.31 121.76 3g3e h LEU 13 Ca -0.07 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3g3e h LEU 13 Cb 0.67 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.24 3g3e h LEU 13 CO 0.07 0.55 -0.43 0.28 0.09 0.00 0.00 178.44 179.01 3g3e h SER 14 N 0.95 -1.03 -0.55 -0.43 0.02 -0.88 -1.28 113.55 110.36 3g3e h SER 14 Ca 0.33 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.41 3g3e h SER 14 Cb 0.12 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 3g3e h SER 14 CO -0.11 -0.72 0.15 0.74 -1.14 0.00 0.00 176.83 175.76 3g3e h THR 15 N -1.18 0.73 -0.05 -2.27 2.02 -0.93 0.58 112.91 111.82 3g3e h THR 15 Ca -0.12 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3g3e h THR 15 Cb 0.91 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3g3e h THR 15 CO 0.18 0.05 -0.12 0.00 0.37 0.00 0.00 175.52 176.00 3g3e h ALA 16 N 1.41 -0.10 0.02 6.16 0.00 -0.81 0.17 119.26 126.11 3g3e h ALA 16 Ca 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3g3e h ALA 16 Cb 0.36 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3g3e h ALA 16 CO -0.32 -0.60 -0.01 1.25 0.00 0.00 0.00 179.25 179.57 3g3e h LEU 17 N -0.19 -0.03 -1.19 0.00 5.85 -0.62 -0.20 115.31 118.95 3g3e h LEU 17 Ca 0.06 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3g3e h LEU 17 Cb 0.27 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3g3e h LEU 17 CO -0.16 0.08 0.57 0.00 -0.34 0.00 0.00 178.44 178.59 3g3e h ILE 19 N 0.96 1.33 -0.19 0.00 2.04 -0.30 -2.87 117.51 118.48 3g3e h ILE 19 Ca 0.38 -2.03 -0.06 0.00 1.00 0.00 0.00 64.86 64.16 3g3e h ILE 19 Cb 0.25 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3g3e h ILE 19 CO -0.15 0.63 -0.11 -0.74 0.00 0.00 0.00 178.15 177.78 3g3e h HIS 20 N 0.41 0.47 -0.68 1.37 2.76 -0.34 -2.61 115.15 116.53 3g3e h HIS 20 Ca -0.04 -0.12 0.12 0.00 -2.20 0.00 0.00 60.37 58.13 3g3e h HIS 20 Cb 1.33 -0.11 -0.09 0.00 1.55 0.00 0.00 27.41 30.09 3g3e h HIS 20 CO 0.06 0.72 0.23 0.93 -1.30 0.00 0.00 177.93 178.58 3g3e h GLU 21 N 0.08 0.37 0.00 5.26 5.08 -0.82 -1.92 114.58 122.64 3g3e h GLU 21 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3g3e h GLU 21 Cb 0.61 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3g3e h GLU 21 CO 0.03 0.24 -0.76 -0.09 -1.00 0.00 0.00 179.01 177.44 3g3e h ARG 22 N 0.38 0.00 0.00 2.33 9.65 -1.39 -3.39 114.38 121.96 3g3e h ARG 22 Ca 0.36 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 3g3e h ARG 22 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3g3e h ARG 22 CO -0.38 0.00 -0.15 0.66 2.80 0.00 0.00 179.97 182.89 3g3e n TYR 23 N -2.14 0.00 0.27 2.20 4.01 -0.99 -4.76 117.16 115.75 3g3e n TYR 23 Ca 0.03 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.87 3g3e n TYR 23 Cb 0.45 0.00 0.74 0.00 -0.31 0.00 0.00 39.34 40.22 3g3e n TYR 23 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3g3e h HIS 24 N 0.00 0.00 0.00 -0.72 2.07 -1.53 0.74 115.15 115.72 3g3e h HIS 24 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g3e h HIS 24 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3g3e h HIS 24 CO 0.00 0.01 -0.25 -1.13 -3.07 0.00 0.00 177.93 173.48 3g3e n SER 25 N -4.26 0.45 -0.10 3.10 3.41 -1.26 -3.85 113.62 111.11 3g3e n SER 25 Ca -0.03 0.26 0.01 0.00 -0.26 0.00 0.00 58.87 58.85 3g3e n SER 25 Cb 0.09 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3g3e n SER 25 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3g3e n VAL 26 N -1.80 0.00 -4.85 -3.33 0.24 0.15 -4.99 118.33 103.75 3g3e n VAL 26 Ca 0.06 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.53 3g3e n VAL 26 Cb 0.38 1.05 -0.15 0.00 -1.47 0.00 0.00 33.84 33.66 3g3e n VAL 26 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3e s LEU 27 N -0.23 2.63 0.00 1.34 1.43 -0.60 -4.88 118.68 118.37 3g3e s LEU 27 Ca 0.03 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3g3e s LEU 27 Cb 0.02 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3g3e s LEU 27 CO 0.03 0.18 0.02 0.00 0.23 0.00 0.00 176.35 176.81 3g3e n GLN 28 N 3.43 0.00 -4.27 1.70 3.00 -1.26 -3.60 117.38 116.37 3g3e n GLN 28 Ca -0.18 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.49 3g3e n GLN 28 Cb 0.53 -0.45 -0.10 0.00 0.00 0.00 0.00 30.24 30.21 3g3e n GLN 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3g3e s PRO 29 N -0.05 3.48 -0.52 -1.09 0.04 -1.26 -4.95 135.00 130.64 3g3e s PRO 29 Ca 0.00 -0.42 -0.14 0.00 0.04 0.00 0.00 61.00 60.49 3g3e s PRO 29 Cb 0.00 -2.95 0.13 0.00 0.04 0.00 0.00 34.50 31.72 3g3e s PRO 29 CO 0.00 0.45 0.45 -1.17 0.04 0.00 0.00 177.00 176.77 3g3e s LEU 30 N -0.17 6.03 -0.44 -3.56 2.96 -1.24 0.57 118.68 122.85 3g3e s LEU 30 Ca 0.05 -1.86 -0.18 0.00 -0.22 0.00 0.00 54.13 51.93 3g3e s LEU 30 Cb -0.12 -2.14 0.03 0.00 0.50 0.00 0.00 46.19 44.45 3g3e s LEU 30 CO 0.02 -0.80 0.48 -0.62 -1.32 0.00 0.00 176.35 174.11 3g3e s ASP 31 N 3.25 6.21 -0.15 3.68 -1.08 0.26 -4.92 116.67 123.92 3g3e s ASP 31 Ca 0.04 -0.69 -0.00 0.00 -0.52 0.00 0.00 52.55 51.38 3g3e s ASP 31 Cb -0.28 -2.24 -0.01 0.00 -1.46 0.00 0.00 42.92 38.93 3g3e s ASP 31 CO 0.01 -0.64 -0.13 -0.63 0.52 0.00 0.00 175.17 174.30 3g3e s ILE 32 N 2.25 2.92 0.02 4.11 1.01 -1.26 0.10 121.20 130.36 3g3e s ILE 32 Ca 0.13 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.16 3g3e s ILE 32 Cb -0.17 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3g3e s ILE 32 CO 0.14 0.51 -0.19 -0.54 0.00 0.00 0.00 174.94 174.86 3g3e s LYS 33 N 0.63 1.34 -0.21 2.79 1.02 -0.48 -2.88 119.74 121.94 3g3e s LYS 33 Ca -0.07 -0.82 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 3g3e s LYS 33 Cb -0.16 -1.39 -0.02 0.00 -0.52 0.00 0.00 37.83 35.75 3g3e s LYS 33 CO 0.03 0.36 -0.00 0.08 -0.92 0.00 0.00 175.35 174.90 3g3e s VAL 34 N -0.69 3.84 -0.20 3.17 1.01 0.12 -0.89 120.40 126.75 3g3e s VAL 34 Ca 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3g3e s VAL 34 Cb -0.08 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3g3e s VAL 34 CO 0.01 0.42 0.01 -0.31 0.00 0.00 0.00 175.10 175.22 3g3e s TYR 35 N 1.20 3.05 -0.12 5.22 2.02 0.14 -0.40 117.35 128.46 3g3e s TYR 35 Ca 0.03 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.15 3g3e s TYR 35 Cb -0.15 -2.09 0.04 0.00 -0.40 0.00 0.00 41.96 39.37 3g3e s TYR 35 CO 0.01 -0.21 0.43 0.00 -1.57 0.00 0.00 175.55 174.20 3g3e s ALA 36 N 0.96 -1.07 -0.10 3.71 0.00 -0.96 0.51 121.76 124.82 3g3e s ALA 36 Ca 0.02 1.02 0.15 0.00 0.00 0.00 0.00 51.96 53.14 3g3e s ALA 36 Cb -0.14 -0.46 -0.08 0.00 0.00 0.00 0.00 23.12 22.43 3g3e s ALA 36 CO 0.02 -0.23 1.09 0.38 0.00 0.00 0.00 175.76 177.01 3g3e h ASP 37 N 4.85 0.00 -4.21 0.00 2.03 -1.82 -1.73 116.42 115.54 3g3e h ASP 37 Ca -0.28 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.46 3g3e h ASP 37 Cb 1.18 0.00 -0.30 0.00 -0.83 0.00 0.00 39.33 39.38 3g3e h ASP 37 CO 0.29 0.64 -0.84 -0.13 -1.03 0.00 0.00 179.24 178.16 3g3e s ARG 38 N -2.88 1.60 0.38 4.15 0.52 -1.26 -4.72 118.95 116.73 3g3e s ARG 38 Ca -0.00 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 54.64 3g3e s ARG 38 Cb 0.08 -1.49 -0.05 0.00 0.52 0.00 0.00 34.95 34.01 3g3e s ARG 38 CO 0.79 0.35 0.11 -0.06 0.02 0.00 0.00 175.30 176.51 3g3e s PHE 39 N -0.28 2.60 0.00 -0.53 0.08 -1.26 -4.53 117.98 114.05 3g3e s PHE 39 Ca 0.04 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.57 3g3e s PHE 39 Cb -0.09 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 3g3e s PHE 39 CO 0.00 0.32 0.00 2.41 -0.10 0.00 0.00 175.22 177.85 3g3e n THR 40 N -1.12 0.00 -0.55 0.64 -1.04 -1.26 -2.05 114.28 108.90 3g3e n THR 40 Ca -0.03 0.00 0.43 0.00 -2.04 0.00 0.00 64.05 62.41 3g3e n THR 40 Cb 0.63 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.80 3g3e n THR 40 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3g3e n PRO 41 N 0.00 0.00 -0.60 -2.82 -0.02 -1.26 0.10 135.00 130.41 3g3e n PRO 41 Ca 0.00 0.91 0.08 0.00 -2.02 0.00 0.00 63.50 62.47 3g3e n PRO 41 Cb 0.00 -2.12 0.33 0.00 -0.02 0.00 0.00 33.50 31.69 3g3e n PRO 41 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g3e n LEU 42 N -3.53 4.61 -4.96 2.45 4.77 -0.87 -4.79 117.00 114.68 3g3e n LEU 42 Ca 0.36 -2.61 -0.23 0.00 -0.03 0.00 0.00 56.01 53.50 3g3e n LEU 42 Cb 1.66 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 42.17 3g3e n LEU 42 CO 0.36 0.74 -0.06 0.42 -1.33 0.00 0.00 177.39 177.52 3g3e s THR 43 N -2.14 5.28 0.45 -5.08 -4.23 0.28 -4.82 115.64 105.39 3g3e s THR 43 Ca 0.47 -0.88 0.17 0.00 -1.18 0.00 0.00 61.69 60.27 3g3e s THR 43 Cb 0.33 -3.82 0.36 0.00 1.34 0.00 0.00 72.50 70.71 3g3e s THR 43 CO 0.19 -0.24 1.94 0.74 -0.54 0.00 0.00 174.62 176.71 3g3e h THR 44 N 1.34 0.80 -0.06 3.99 2.02 -1.93 -0.88 112.91 118.19 3g3e h THR 44 Ca -0.51 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 3g3e h THR 44 Cb 1.22 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3g3e h THR 44 CO 0.64 0.06 -0.16 0.74 0.37 0.00 0.00 175.52 177.17 3g3e h THR 45 N 0.34 1.16 0.00 3.16 2.02 -1.93 -1.79 112.91 115.87 3g3e h THR 45 Ca 0.33 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3g3e h THR 45 Cb 0.83 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3g3e h THR 45 CO -0.09 0.21 0.00 0.47 0.37 0.00 0.00 175.52 176.48 3g3e n ASP 46 N -4.30 0.00 0.02 4.18 9.92 -0.34 -2.81 116.55 123.22 3g3e n ASP 46 Ca -0.02 0.04 0.11 0.00 -0.53 0.00 0.00 54.79 54.39 3g3e n ASP 46 Cb 0.26 -0.34 -0.06 0.00 -0.64 0.00 0.00 41.12 40.33 3g3e n ASP 46 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3g3e n VAL 47 N -1.34 0.12 -2.29 2.53 0.31 -0.68 -4.64 118.33 112.33 3g3e n VAL 47 Ca 0.12 -0.29 -0.39 0.00 -0.01 0.00 0.00 64.34 63.77 3g3e n VAL 47 Cb 0.26 0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.43 3g3e n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g3e s ALA 48 N -3.26 3.23 0.07 3.52 0.00 -1.13 -4.95 121.76 119.24 3g3e s ALA 48 Ca 0.01 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 3g3e s ALA 48 Cb 0.14 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.73 3g3e s ALA 48 CO 0.85 -0.50 1.31 0.00 0.00 0.00 0.00 175.76 177.42 3g3e h ALA 49 N 2.87 0.28 0.00 0.00 0.00 -1.91 -3.39 119.26 117.10 3g3e h ALA 49 Ca -0.49 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3g3e h ALA 49 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3g3e h ALA 49 CO 0.63 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.68 3g3e n GLY 50 N 0.46 1.20 3.70 0.00 0.00 -1.26 -4.36 105.19 104.93 3g3e n GLY 50 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3g3e n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g3e s LEU 51 N 0.00 4.34 -0.47 0.99 2.96 -1.26 -0.47 118.68 124.77 3g3e s LEU 51 Ca 0.00 2.05 -0.29 0.00 -0.22 0.00 0.00 54.13 55.67 3g3e s LEU 51 Cb 0.00 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.14 3g3e s LEU 51 CO 0.00 -0.56 1.18 0.86 -1.32 0.00 0.00 176.35 176.51 3g3e s TRP 52 N 1.51 2.75 -0.30 5.38 -0.00 0.31 -4.66 118.94 123.92 3g3e s TRP 52 Ca 0.60 0.70 -0.07 0.00 -0.00 0.00 0.00 56.10 57.33 3g3e s TRP 52 Cb -0.30 -4.43 0.18 0.00 -0.00 0.00 0.00 33.47 28.92 3g3e s TRP 52 CO 0.28 -1.39 0.82 -1.14 -0.00 0.00 0.00 176.95 175.52 3g3e s GLN 53 N 4.54 0.39 1.04 5.86 0.74 -1.26 -4.59 119.66 126.39 3g3e s GLN 53 Ca 0.50 0.73 -0.14 0.00 0.05 0.00 0.00 55.36 56.50 3g3e s GLN 53 Cb -0.08 0.41 0.21 0.00 1.10 0.00 0.00 33.01 34.65 3g3e s GLN 53 CO 0.32 -0.39 1.10 -2.14 -0.55 0.00 0.00 175.29 173.63 3g3e s PRO 54 N 2.87 0.05 0.79 1.67 0.02 -1.26 -4.90 135.00 134.25 3g3e s PRO 54 Ca 0.09 0.34 -0.15 0.00 0.02 0.00 0.00 61.00 61.29 3g3e s PRO 54 Cb -0.12 -1.71 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 3g3e s PRO 54 CO -0.16 -2.94 0.57 0.66 -0.33 0.00 0.00 177.00 174.79 3g3e n TYR 55 N -4.29 -0.75 -0.17 6.54 4.02 -1.26 -4.91 117.16 116.34 3g3e n TYR 55 Ca 0.07 0.32 -0.11 0.00 -0.01 0.00 0.00 57.90 58.17 3g3e n TYR 55 Cb 0.58 -1.90 0.00 0.00 -0.02 0.00 0.00 39.34 38.00 3g3e n TYR 55 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3g3e h LEU 56 N -0.72 1.01 -9.59 7.72 3.38 -2.00 -3.47 115.31 111.64 3g3e h LEU 56 Ca -0.45 -0.37 -0.59 0.00 0.09 0.00 0.00 57.88 56.56 3g3e h LEU 56 Cb 1.33 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 3g3e h LEU 56 CO 0.41 1.15 -0.63 -0.94 0.09 0.00 0.00 178.44 178.52 3g3e s SER 57 N -6.65 5.02 -0.18 -0.43 1.04 -1.26 -3.57 113.70 107.67 3g3e s SER 57 Ca -0.12 -0.31 -0.31 0.00 0.48 0.00 0.00 55.95 55.69 3g3e s SER 57 Cb 0.12 -1.16 -0.09 0.00 0.10 0.00 0.00 66.02 65.00 3g3e s SER 57 CO 0.86 0.08 2.10 0.47 0.98 0.00 0.00 173.24 177.73 3g3e n ASP 58 N -0.21 3.20 -3.04 7.02 8.00 -1.26 -4.97 116.55 125.28 3g3e n ASP 58 Ca -0.09 0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.95 3g3e n ASP 58 Cb 0.55 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 3g3e n ASP 58 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3g3e n PRO 59 N 7.94 0.32 -0.00 -0.24 -0.04 -1.26 -5.02 135.00 136.69 3g3e n PRO 59 Ca 0.29 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.66 3g3e n PRO 59 Cb 0.36 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.74 3g3e n PRO 59 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3g3e h ASN 60 N -0.31 -0.09 -3.71 3.54 2.35 -1.93 -3.41 115.58 112.02 3g3e h ASN 60 Ca 0.00 -0.48 -0.66 0.00 -0.55 0.00 0.00 56.30 54.61 3g3e h ASN 60 Cb 0.00 0.02 -0.18 0.00 0.05 0.00 0.00 38.32 38.22 3g3e h ASN 60 CO 0.00 0.58 -0.39 0.21 -1.65 0.00 0.00 177.43 176.18 3g3e s ASN 61 N -5.71 6.11 0.00 5.81 2.47 -1.26 -4.93 114.94 117.43 3g3e s ASN 61 Ca -0.12 -0.27 0.21 0.00 0.42 0.00 0.00 52.86 53.10 3g3e s ASN 61 Cb -0.01 -2.16 1.13 0.00 -1.45 0.00 0.00 41.25 38.76 3g3e s ASN 61 CO 0.45 -0.26 1.74 -0.81 -3.72 0.00 0.00 177.10 174.51 3g3e n PRO 62 N 5.23 1.20 0.25 0.43 -0.04 -1.26 -2.72 135.00 138.09 3g3e n PRO 62 Ca -0.11 -0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.19 3g3e n PRO 62 Cb 0.50 -1.35 0.46 0.00 -0.04 0.00 0.00 33.50 33.06 3g3e n PRO 62 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3g3e h GLN 63 N 0.64 0.00 -0.07 0.54 4.15 -1.98 -2.90 115.11 115.50 3g3e h GLN 63 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 3g3e h GLN 63 Cb 0.14 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3g3e h GLN 63 CO 0.00 0.03 -0.63 0.93 -1.93 0.00 0.00 178.83 177.23 3g3e h GLU 64 N 0.00 0.25 -0.58 1.69 5.08 -1.94 -1.36 114.58 117.71 3g3e h GLU 64 Ca -0.00 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3g3e h GLU 64 Cb 0.74 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 3g3e h GLU 64 CO 0.00 0.80 0.12 0.00 -1.00 0.00 0.00 179.01 178.93 3g3e h ALA 65 N 1.16 1.13 -0.27 3.43 0.00 -1.71 -0.36 119.26 122.63 3g3e h ALA 65 Ca -0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 3g3e h ALA 65 Cb 1.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3g3e h ALA 65 CO 0.10 0.58 -0.56 -0.44 0.00 0.00 0.00 179.25 178.93 3g3e h ASP 66 N 0.87 0.96 -0.74 0.00 3.32 -1.48 -2.21 116.42 117.15 3g3e h ASP 66 Ca 0.19 -0.54 -0.06 0.00 0.02 0.00 0.00 57.03 56.63 3g3e h ASP 66 Cb 0.34 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3g3e h ASP 66 CO 0.00 1.33 0.23 -0.50 -1.72 0.00 0.00 179.24 178.58 3g3e h TRP 67 N 0.64 1.19 -0.44 4.55 6.55 -0.88 0.24 115.95 127.79 3g3e h TRP 67 Ca 0.01 -0.12 -0.10 0.00 0.95 0.00 0.00 58.89 59.63 3g3e h TRP 67 Cb 1.17 -0.34 -0.02 0.00 -0.86 0.00 0.00 29.16 29.11 3g3e h TRP 67 CO 0.08 0.93 -0.14 0.77 -1.05 0.00 0.00 178.44 179.03 3g3e h SER 68 N 1.10 0.81 0.15 -3.49 0.02 -1.01 -2.20 113.55 108.93 3g3e h SER 68 Ca 0.24 -0.26 -0.27 0.00 -0.84 0.00 0.00 61.79 60.66 3g3e h SER 68 Cb 0.30 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.64 3g3e h SER 68 CO -0.01 0.96 -1.12 -0.61 -1.14 0.00 0.00 176.83 174.90 3g3e h GLN 69 N 0.72 0.59 -0.80 3.45 4.15 -1.16 -0.38 115.11 121.70 3g3e h GLN 69 Ca 0.12 -0.72 0.08 0.00 0.77 0.00 0.00 58.65 58.90 3g3e h GLN 69 Cb 0.64 0.22 -0.05 0.00 0.21 0.00 0.00 27.48 28.50 3g3e h GLN 69 CO 0.04 1.30 0.52 1.96 -1.93 0.00 0.00 178.83 180.73 3g3e h GLN 70 N 0.30 0.77 -0.07 1.69 4.20 -0.87 0.77 115.11 121.90 3g3e h GLN 70 Ca -0.15 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 3g3e h GLN 70 Cb 1.78 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.39 3g3e h GLN 70 CO 0.21 0.51 -0.19 1.15 -0.67 0.00 0.00 178.83 179.84 3g3e h THR 71 N 0.79 1.43 -0.27 -0.54 2.02 -1.14 -0.97 112.91 114.23 3g3e h THR 71 Ca 0.36 -1.56 0.06 0.00 0.77 0.00 0.00 66.41 66.04 3g3e h THR 71 Cb 0.35 2.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.96 3g3e h THR 71 CO -0.13 0.44 -0.18 0.15 0.37 0.00 0.00 175.52 176.16 3g3e h PHE 72 N -0.26 -0.46 -0.69 3.16 3.57 -0.49 0.54 116.94 122.31 3g3e h PHE 72 Ca -0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3g3e h PHE 72 Cb 0.80 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 3g3e h PHE 72 CO 0.12 -0.26 0.23 -0.44 -2.23 0.00 0.00 178.31 175.74 3g3e h ASP 73 N -0.16 0.98 -0.52 0.41 3.32 -0.80 0.17 116.42 119.82 3g3e h ASP 73 Ca 0.15 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3g3e h ASP 73 Cb 0.38 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3g3e h ASP 73 CO -0.37 0.90 0.14 0.22 -1.72 0.00 0.00 179.24 178.42 3g3e h TYR 74 N 1.02 0.86 -0.23 4.55 3.20 -0.51 -2.79 116.97 123.06 3g3e h TYR 74 Ca 0.23 -0.10 -0.19 0.00 3.14 0.00 0.00 58.73 61.81 3g3e h TYR 74 Cb 0.27 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3g3e h TYR 74 CO 0.02 0.75 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.62 3g3e h LEU 75 N 0.72 0.89 -1.60 2.82 3.38 -0.29 -2.98 115.31 118.25 3g3e h LEU 75 Ca 0.16 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3g3e h LEU 75 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3g3e h LEU 75 CO -0.00 1.28 -0.18 0.25 0.09 0.00 0.00 178.44 179.88 3g3e h LEU 76 N 0.59 0.02 0.00 1.67 6.46 -0.96 -1.28 115.31 121.81 3g3e h LEU 76 Ca -0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3g3e h LEU 76 Cb 1.20 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 3g3e h LEU 76 CO 0.13 0.21 0.00 -1.54 -0.62 0.00 0.00 178.44 176.62 3g3e n SER 77 N -4.31 0.00 0.00 1.25 3.41 -1.06 -2.90 113.62 110.01 3g3e n SER 77 Ca -0.02 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3g3e n SER 77 Cb 0.25 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3g3e n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3g3e n HIS 78 N -1.42 0.00 0.17 7.33 8.25 -0.56 -4.72 115.22 124.27 3g3e n HIS 78 Ca 0.09 -0.35 0.03 0.00 -0.26 0.00 0.00 57.72 57.23 3g3e n HIS 78 Cb 0.27 -0.04 0.41 0.00 1.12 0.00 0.00 29.99 31.76 3g3e n HIS 78 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3g3e h VAL 79 N 0.32 1.19 -0.36 1.59 3.04 -1.22 -2.58 116.25 118.23 3g3e h VAL 79 Ca 0.00 -0.88 -0.10 0.00 -1.01 0.00 0.00 66.70 64.71 3g3e h VAL 79 Cb 0.46 1.39 -0.06 0.00 -2.01 0.00 0.00 31.29 31.08 3g3e h VAL 79 CO 0.00 0.26 0.02 1.41 -1.01 0.00 0.00 177.57 178.25 3g3e n HIS 80 N -4.24 1.20 -3.61 3.17 8.25 -1.26 -4.84 115.22 113.89 3g3e n HIS 80 Ca -0.02 -1.20 -0.38 0.00 -0.26 0.00 0.00 57.72 55.87 3g3e n HIS 80 Cb 0.30 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 3g3e n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3g3e s SER 81 N -2.05 6.68 -1.08 0.41 1.04 -0.97 -4.99 113.70 112.74 3g3e s SER 81 Ca 0.45 0.81 -0.23 0.00 0.48 0.00 0.00 55.95 57.46 3g3e s SER 81 Cb 0.38 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 3g3e s SER 81 CO 0.06 0.34 1.86 -2.84 0.98 0.00 0.00 173.24 173.65 3g3e s PRO 82 N -1.01 2.81 0.00 4.02 0.02 -1.26 -1.19 135.00 138.39 3g3e s PRO 82 Ca 0.21 -0.95 0.00 0.00 0.02 0.00 0.00 61.00 60.28 3g3e s PRO 82 Cb -0.15 -5.23 0.00 0.00 0.02 0.00 0.00 34.50 29.14 3g3e s PRO 82 CO 0.10 -3.38 0.00 0.09 -0.33 0.00 0.00 177.00 173.49 3g3e n ASN 83 N 12.94 0.00 -0.22 2.53 4.13 -1.26 -5.00 115.26 128.37 3g3e n ASN 83 Ca 0.42 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.62 3g3e n ASN 83 Cb 0.47 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.75 3g3e n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g3e h ALA 84 N 0.00 0.80 0.00 5.41 0.00 -1.38 -1.03 119.26 123.06 3g3e h ALA 84 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g3e h ALA 84 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3g3e h ALA 84 CO 0.00 0.25 0.00 1.05 0.00 0.00 0.00 179.25 180.55 3g3e h GLU 85 N 0.85 0.00 -0.07 0.00 4.11 -1.82 -0.38 114.58 117.27 3g3e h GLU 85 Ca 0.23 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.50 3g3e h GLU 85 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3g3e h GLU 85 CO -0.05 0.00 -0.66 -0.91 0.07 0.00 0.00 179.01 177.46 3g3e h ASN 86 N 0.00 0.34 0.22 3.06 4.21 -1.60 -3.15 115.58 118.67 3g3e h ASN 86 Ca 0.00 -0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3g3e h ASN 86 Cb 0.52 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3g3e h ASN 86 CO 0.00 0.90 -0.26 0.00 -1.29 0.00 0.00 177.43 176.78 3g3e n LEU 87 N -3.84 1.07 -0.68 1.61 -0.00 -0.38 -4.42 117.00 110.35 3g3e n LEU 87 Ca -0.03 -0.29 -0.05 0.00 -0.00 0.00 0.00 56.01 55.64 3g3e n LEU 87 Cb 0.66 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 3g3e n LEU 87 CO 0.46 0.20 -0.05 0.61 -0.00 0.00 0.00 177.39 178.61 3g3e n GLY 88 N 1.34 0.22 3.49 1.47 0.00 -0.29 -2.34 105.19 109.09 3g3e n GLY 88 Ca 0.12 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 3g3e n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g3e s LEU 89 N -1.62 3.62 0.22 0.99 2.96 -0.67 -1.69 118.68 122.50 3g3e s LEU 89 Ca 0.02 -0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 3g3e s LEU 89 Cb -0.01 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3g3e s LEU 89 CO 0.03 -0.04 0.36 0.72 -1.32 0.00 0.00 176.35 176.10 3g3e s PHE 90 N 1.66 0.57 -0.08 5.38 -0.12 -0.26 -4.57 117.98 120.56 3g3e s PHE 90 Ca 0.07 -0.89 -0.10 0.00 -0.05 0.00 0.00 56.93 55.95 3g3e s PHE 90 Cb -0.15 -0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.16 3g3e s PHE 90 CO 0.06 -0.87 0.25 -1.17 -0.05 0.00 0.00 175.22 173.44 3g3e s LEU 91 N -3.05 4.41 -0.14 -1.99 2.96 -1.26 -0.85 118.68 118.76 3g3e s LEU 91 Ca 0.26 0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 54.74 3g3e s LEU 91 Cb 0.02 -2.28 0.05 0.00 0.50 0.00 0.00 46.19 44.47 3g3e s LEU 91 CO 0.09 0.35 0.33 -0.51 -1.32 0.00 0.00 176.35 175.28 3g3e s ILE 92 N -0.89 -0.03 0.29 6.68 2.07 -0.38 -4.92 121.20 124.03 3g3e s ILE 92 Ca 0.18 0.10 0.06 0.00 -1.41 0.00 0.00 60.65 59.58 3g3e s ILE 92 Cb -0.14 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 3g3e s ILE 92 CO 0.07 0.04 0.36 -0.44 -1.91 0.00 0.00 174.94 173.07 3g3e s SER 93 N 1.11 5.90 0.00 4.50 0.01 -1.26 -0.76 113.70 123.19 3g3e s SER 93 Ca -0.08 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3g3e s SER 93 Cb -0.08 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.74 3g3e s SER 93 CO -0.09 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.93 3g3e n GLY 94 N -1.45 -1.35 3.40 3.44 0.00 -0.86 -1.98 105.19 106.39 3g3e n GLY 94 Ca -0.04 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 3g3e n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g3e s TYR 95 N -2.90 2.53 -0.20 1.61 1.51 0.17 -2.46 117.35 117.61 3g3e s TYR 95 Ca 0.00 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3g3e s TYR 95 Cb 0.00 -1.57 -0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3g3e s TYR 95 CO 0.00 0.08 -0.09 -0.80 -1.11 0.00 0.00 175.55 173.63 3g3e s ASN 96 N -0.67 4.00 -0.10 2.29 0.01 -0.75 0.14 114.94 119.85 3g3e s ASN 96 Ca 0.11 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.84 3g3e s ASN 96 Cb -0.10 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 39.88 3g3e s ASN 96 CO -0.00 0.01 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.66 3g3e s LEU 97 N 1.29 2.45 0.22 0.60 1.43 0.08 -0.61 118.68 124.15 3g3e s LEU 97 Ca 0.03 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 3g3e s LEU 97 Cb -0.14 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3g3e s LEU 97 CO -0.04 0.21 -0.11 -0.36 0.23 0.00 0.00 176.35 176.27 3g3e s PHE 98 N 0.08 1.74 -0.12 0.29 0.40 0.21 -0.66 117.98 119.91 3g3e s PHE 98 Ca -0.08 -0.64 0.14 0.00 -0.60 0.00 0.00 56.93 55.76 3g3e s PHE 98 Cb -0.15 -0.87 -0.00 0.00 0.51 0.00 0.00 43.02 42.51 3g3e s PHE 98 CO 0.05 0.30 1.31 0.45 0.70 0.00 0.00 175.22 178.04 3g3e h HIS 99 N 2.49 0.00 -4.02 0.36 3.86 -1.82 -2.06 115.15 113.96 3g3e h HIS 99 Ca -0.38 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.58 3g3e h HIS 99 Cb 1.22 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.62 3g3e h HIS 99 CO 0.70 0.57 -0.16 -1.83 0.86 0.00 0.00 177.93 178.06 3g3e s GLU 100 N -2.93 1.90 0.67 2.45 -1.05 -1.26 -4.11 118.70 114.37 3g3e s GLU 100 Ca 0.02 -1.70 -0.16 0.00 -0.15 0.00 0.00 54.97 52.99 3g3e s GLU 100 Cb 0.08 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 3g3e s GLU 100 CO 0.77 -0.79 1.15 0.00 0.95 0.00 0.00 175.26 177.34 3g3e s ALA 101 N -3.09 2.38 0.10 -0.84 0.00 -1.26 -4.76 121.76 114.28 3g3e s ALA 101 Ca 0.29 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.80 3g3e s ALA 101 Cb -0.01 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.77 3g3e s ALA 101 CO 0.19 -1.42 0.44 -1.50 0.00 0.00 0.00 175.76 173.47 3g3e s ILE 102 N -2.09 0.05 0.46 0.00 2.07 -1.26 -5.15 121.20 115.29 3g3e s ILE 102 Ca 0.71 -0.43 -0.22 0.00 -1.41 0.00 0.00 60.65 59.29 3g3e s ILE 102 Cb -0.25 -1.07 -0.08 0.00 0.13 0.00 0.00 42.46 41.19 3g3e s ILE 102 CO 0.40 -0.24 1.12 -2.84 -1.91 0.00 0.00 174.94 171.47 3g3e s PRO 103 N -3.32 3.80 0.41 3.50 0.02 -1.26 -4.99 135.00 133.16 3g3e s PRO 103 Ca -0.00 1.64 -0.24 0.00 0.02 0.00 0.00 61.00 62.41 3g3e s PRO 103 Cb 0.01 -2.34 -0.11 0.00 0.02 0.00 0.00 34.50 32.08 3g3e s PRO 103 CO -0.09 -0.48 0.92 -0.25 -0.33 0.00 0.00 177.00 176.77 3g3e n ASP 104 N -0.57 0.82 -4.81 2.53 8.00 -1.26 -4.95 116.55 116.31 3g3e n ASP 104 Ca 0.08 1.02 -0.31 0.00 0.71 0.00 0.00 54.79 56.28 3g3e n ASP 104 Cb 0.49 -1.30 0.06 0.00 -0.02 0.00 0.00 41.12 40.35 3g3e n ASP 104 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3g3e s PRO 105 N -1.90 2.80 0.23 -0.24 0.04 -1.26 -4.91 135.00 129.76 3g3e s PRO 105 Ca 0.63 1.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 3g3e s PRO 105 Cb -0.58 -1.97 0.34 0.00 0.04 0.00 0.00 34.50 32.33 3g3e s PRO 105 CO 0.57 -1.21 1.79 0.66 0.04 0.00 0.00 177.00 178.85 3g3e h SER 106 N -0.73 0.55 0.00 6.66 4.64 -1.90 -2.09 113.55 120.69 3g3e h SER 106 Ca -0.44 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3g3e h SER 106 Cb 1.22 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3g3e h SER 106 CO 0.55 0.32 0.00 -2.67 -0.87 0.00 0.00 176.83 174.16 3g3e n TRP 107 N -4.81 0.00 0.23 4.77 4.27 -1.26 -4.20 117.44 116.45 3g3e n TRP 107 Ca 0.11 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.87 3g3e n TRP 107 Cb 0.26 -0.04 0.81 0.00 -1.36 0.00 0.00 31.31 30.97 3g3e n TRP 107 CO 0.00 0.00 0.00 1.57 -2.29 0.00 0.00 177.69 176.97 3g3e h LYS 108 N 0.02 0.00 -0.01 -2.67 2.10 -1.74 -1.21 116.57 113.06 3g3e h LYS 108 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3g3e h LYS 108 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3g3e h LYS 108 CO 0.00 0.00 -0.69 -0.25 -2.00 0.00 0.00 179.45 176.51 3g3e n ASP 109 N -4.04 1.60 0.01 7.07 8.00 -1.26 -4.22 116.55 123.71 3g3e n ASP 109 Ca -0.00 -1.30 -0.18 0.00 0.71 0.00 0.00 54.79 54.02 3g3e n ASP 109 Cb 0.20 0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 41.87 3g3e n ASP 109 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3g3e h THR 110 N 1.42 1.55 -3.75 -3.53 2.02 -1.53 -3.46 112.91 105.63 3g3e h THR 110 Ca 0.00 -2.33 -0.44 0.00 0.77 0.00 0.00 66.41 64.41 3g3e h THR 110 Cb 0.65 3.05 0.17 0.00 -1.74 0.00 0.00 68.15 70.28 3g3e h THR 110 CO 0.00 0.65 0.18 0.68 0.37 0.00 0.00 175.52 177.40 3g3e s VAL 111 N -2.66 1.86 -0.23 3.16 -7.23 -1.12 -4.98 120.40 109.20 3g3e s VAL 111 Ca -0.15 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.90 3g3e s VAL 111 Cb 0.01 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 3g3e s VAL 111 CO 0.79 0.00 0.25 -0.76 -0.31 0.00 0.00 175.10 175.07 3g3e s LEU 112 N -6.62 4.12 -1.03 1.32 1.02 -0.41 -4.58 118.68 112.51 3g3e s LEU 112 Ca 0.67 0.24 -0.05 0.00 0.02 0.00 0.00 54.13 55.01 3g3e s LEU 112 Cb -0.15 -2.25 0.01 0.00 0.02 0.00 0.00 46.19 43.81 3g3e s LEU 112 CO 0.57 -0.00 0.72 0.61 0.02 0.00 0.00 176.35 178.27 3g3e n GLY 113 N 4.24 -0.14 3.75 -3.19 0.00 -1.26 0.28 105.19 108.87 3g3e n GLY 113 Ca -0.12 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3g3e n GLY 113 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g3e n PHE 114 N -4.26 2.87 -3.71 1.61 7.35 -1.26 -4.51 117.46 115.54 3g3e n PHE 114 Ca -0.02 0.26 -0.08 0.00 -0.76 0.00 0.00 57.45 56.85 3g3e n PHE 114 Cb 0.56 -2.60 -0.02 0.00 0.35 0.00 0.00 39.48 37.77 3g3e n PHE 114 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3g3e s ARG 115 N -0.57 1.51 0.29 -4.13 1.70 -0.32 -5.01 118.95 112.42 3g3e s ARG 115 Ca 0.64 -0.77 -0.28 0.00 -0.47 0.00 0.00 55.73 54.85 3g3e s ARG 115 Cb -0.49 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.35 3g3e s ARG 115 CO 0.49 -0.69 0.95 0.15 -1.08 0.00 0.00 175.30 175.13 3g3e s LYS 116 N -3.73 4.70 0.28 3.89 3.01 -1.26 -0.76 119.74 125.86 3g3e s LYS 116 Ca 0.08 1.43 -0.30 0.00 -1.01 0.00 0.00 55.97 56.18 3g3e s LYS 116 Cb -0.04 -3.03 -0.10 0.00 -1.01 0.00 0.00 37.83 33.66 3g3e s LYS 116 CO 0.00 0.37 1.40 -0.51 0.51 0.00 0.00 175.35 177.12 3g3e s LEU 117 N -1.65 4.40 0.71 3.17 1.43 0.48 -4.76 118.68 122.46 3g3e s LEU 117 Ca 0.46 2.68 -0.11 0.00 -1.03 0.00 0.00 54.13 56.13 3g3e s LEU 117 Cb -0.23 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.38 3g3e s LEU 117 CO 0.28 -0.65 1.09 0.42 0.23 0.00 0.00 176.35 177.72 3g3e s THR 118 N -0.39 3.60 0.33 5.49 -4.23 -1.26 -4.82 115.64 114.36 3g3e s THR 118 Ca 0.56 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.60 3g3e s THR 118 Cb -0.41 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.20 3g3e s THR 118 CO 0.47 -0.68 1.94 -0.65 -0.54 0.00 0.00 174.62 175.16 3g3e h PRO 119 N -0.70 0.80 0.00 3.99 0.11 -1.98 -1.63 132.00 132.58 3g3e h PRO 119 Ca -0.45 -0.09 -0.09 0.00 0.11 0.00 0.00 66.00 65.47 3g3e h PRO 119 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3g3e h PRO 119 CO 0.62 0.61 -0.45 0.00 -0.21 0.00 0.00 178.00 178.57 3g3e h ARG 120 N 0.80 0.00 -0.06 1.05 3.08 -1.99 -1.44 114.38 115.81 3g3e h ARG 120 Ca 0.20 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.02 3g3e h ARG 120 Cb 0.07 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.13 3g3e h ARG 120 CO -0.03 0.45 -0.84 0.93 -1.07 0.00 0.00 179.97 179.41 3g3e h GLU 121 N 0.00 0.68 0.00 0.04 5.08 -1.81 -3.12 114.58 115.44 3g3e h GLU 121 Ca -0.00 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 3g3e h GLU 121 Cb 0.83 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3g3e h GLU 121 CO 0.06 1.25 0.00 -0.07 -1.00 0.00 0.00 179.01 179.25 3g3e h LEU 122 N 0.36 0.00 -0.56 1.33 3.38 -0.92 -1.65 115.31 117.24 3g3e h LEU 122 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3g3e h LEU 122 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3g3e h LEU 122 CO 0.17 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.17 3g3e n ASP 123 N -2.66 0.75 0.21 -0.43 8.00 -0.58 -2.22 116.55 119.62 3g3e n ASP 123 Ca 0.01 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.29 3g3e n ASP 123 Cb 0.26 -0.82 0.17 0.00 -0.02 0.00 0.00 41.12 40.71 3g3e n ASP 123 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3g3e h MET 124 N 0.00 0.00 -2.92 -1.24 2.86 -1.41 -3.38 114.93 108.84 3g3e h MET 124 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 3g3e h MET 124 Cb 0.47 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.72 3g3e h MET 124 CO 0.00 0.00 -0.68 -0.06 1.06 0.00 0.00 176.91 177.23 3g3e s PHE 125 N -3.21 2.88 0.43 -0.22 0.08 -0.94 -4.99 117.98 112.01 3g3e s PHE 125 Ca 0.07 -3.04 0.24 0.00 0.12 0.00 0.00 56.93 54.31 3g3e s PHE 125 Cb 0.06 -2.25 1.25 0.00 -0.57 0.00 0.00 43.02 41.51 3g3e s PHE 125 CO 0.67 -0.63 1.74 -1.35 -0.10 0.00 0.00 175.22 175.55 3g3e h PRO 126 N 5.58 0.25 -0.00 0.24 0.11 -1.75 -1.92 132.00 134.51 3g3e h PRO 126 Ca 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3g3e h PRO 126 Cb 0.81 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3g3e h PRO 126 CO 0.62 0.17 -0.22 -0.25 -0.21 0.00 0.00 178.00 178.11 3g3e n ASP 127 N -4.57 0.27 -4.41 -2.05 8.00 -1.26 -4.80 116.55 107.72 3g3e n ASP 127 Ca 0.28 0.06 -0.28 0.00 0.71 0.00 0.00 54.79 55.56 3g3e n ASP 127 Cb 1.07 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 41.91 3g3e n ASP 127 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3g3e s TYR 128 N -2.93 2.31 0.00 1.24 1.51 -0.72 -4.84 117.35 113.92 3g3e s TYR 128 Ca 0.15 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3g3e s TYR 128 Cb 0.19 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 3g3e s TYR 128 CO 0.59 0.42 0.14 0.41 -1.11 0.00 0.00 175.55 176.00 3g3e n GLY 129 N 0.58 0.29 3.25 0.71 0.00 -0.83 -4.87 105.19 104.32 3g3e n GLY 129 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 3g3e n GLY 129 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g3e s TYR 130 N -0.55 0.18 -2.83 1.61 5.04 -0.85 -4.93 117.35 115.03 3g3e s TYR 130 Ca 0.00 -0.59 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 3g3e s TYR 130 Cb 0.00 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.28 3g3e s TYR 130 CO 0.00 -0.60 0.00 0.41 -1.34 0.00 0.00 175.55 174.02 3g3e n GLY 131 N -0.11 -1.92 3.45 8.97 0.00 -1.26 -0.62 105.19 113.70 3g3e n GLY 131 Ca -0.13 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 3g3e n GLY 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3g3e s TRP 132 N -2.27 2.03 -0.01 1.61 0.51 0.22 -0.38 118.94 120.65 3g3e s TRP 132 Ca 0.00 -0.73 0.01 0.00 -2.12 0.00 0.00 56.10 53.26 3g3e s TRP 132 Cb 0.00 -1.21 0.01 0.00 -0.81 0.00 0.00 33.47 31.46 3g3e s TRP 132 CO 0.00 0.26 -0.01 0.12 -0.51 0.00 0.00 176.95 176.81 3g3e s PHE 133 N -3.01 0.21 0.28 -1.98 2.19 0.06 -1.81 117.98 113.92 3g3e s PHE 133 Ca 0.31 -0.01 -0.21 0.00 0.33 0.00 0.00 56.93 57.36 3g3e s PHE 133 Cb 0.05 -0.22 0.03 0.00 -1.31 0.00 0.00 43.02 41.57 3g3e s PHE 133 CO 0.13 -0.05 0.75 -3.38 1.83 0.00 0.00 175.22 174.50 3g3e s HIS 134 N 0.39 -0.14 -0.15 10.12 -3.43 -1.03 -1.17 115.29 119.88 3g3e s HIS 134 Ca -0.04 -0.33 -0.05 0.00 -0.80 0.00 0.00 55.06 53.84 3g3e s HIS 134 Cb -0.06 0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 31.77 3g3e s HIS 134 CO -0.01 -1.25 0.03 0.99 -2.00 0.00 0.00 174.74 172.50 3g3e s THR 135 N -3.64 4.51 0.00 -5.38 2.01 0.14 -2.03 115.64 111.25 3g3e s THR 135 Ca 0.12 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3g3e s THR 135 Cb -0.05 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3g3e s THR 135 CO 0.07 0.51 0.00 -0.24 -0.69 0.00 0.00 174.62 174.27 3g3e n SER 136 N 3.11 0.51 -4.13 3.53 2.88 0.06 -1.28 113.62 118.29 3g3e n SER 136 Ca -0.17 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.17 3g3e n SER 136 Cb 0.53 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.86 3g3e n SER 136 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3g3e s LEU 137 N 0.00 2.17 -0.11 2.46 1.43 -1.26 -1.24 118.68 122.13 3g3e s LEU 137 Ca 0.00 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3g3e s LEU 137 Cb 0.00 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.68 3g3e s LEU 137 CO 0.00 0.01 -0.23 -0.63 0.23 0.00 0.00 176.35 175.73 3g3e s ILE 138 N -0.87 2.03 -0.29 -0.59 1.01 -0.03 -0.53 121.20 121.92 3g3e s ILE 138 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3g3e s ILE 138 Cb -0.08 -1.76 0.06 0.00 0.01 0.00 0.00 42.46 40.69 3g3e s ILE 138 CO 0.01 0.55 -0.04 -0.22 0.00 0.00 0.00 174.94 175.24 3g3e s LEU 139 N 0.47 3.85 -0.31 2.97 2.96 0.38 -1.10 118.68 127.88 3g3e s LEU 139 Ca -0.16 -1.47 -0.27 0.00 -0.22 0.00 0.00 54.13 52.01 3g3e s LEU 139 Cb -0.17 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.90 3g3e s LEU 139 CO 0.06 -0.25 0.99 -1.61 -1.32 0.00 0.00 176.35 174.22 3g3e s GLU 140 N 1.13 4.03 0.24 1.98 2.02 -0.68 -4.13 118.70 123.29 3g3e s GLU 140 Ca -0.05 0.92 -0.05 0.00 0.02 0.00 0.00 54.97 55.82 3g3e s GLU 140 Cb -0.20 -3.73 0.42 0.00 0.10 0.00 0.00 34.13 30.71 3g3e s GLU 140 CO -0.04 -0.83 1.75 0.78 0.02 0.00 0.00 175.26 176.94 3g3e h GLY 141 N 9.89 1.13 0.79 -1.39 0.00 -1.77 0.13 103.07 111.85 3g3e h GLY 141 Ca -0.22 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 46.99 3g3e h GLY 141 CO 0.99 -0.03 0.64 1.70 0.00 0.00 0.00 176.54 179.84 3g3e h LYS 142 N 0.52 1.15 0.00 4.80 3.64 -1.82 0.06 116.57 124.92 3g3e h LYS 142 Ca 0.39 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3g3e h LYS 142 Cb 0.53 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3g3e h LYS 142 CO -0.35 0.76 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.67 3g3e h ASN 143 N 1.18 0.00 -0.70 4.20 2.35 -1.32 -3.16 115.58 118.14 3g3e h ASN 143 Ca 0.42 -0.63 0.14 0.00 -0.55 0.00 0.00 56.30 55.69 3g3e h ASN 143 Cb 0.13 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.37 3g3e h ASN 143 CO -0.16 0.82 -0.13 0.22 -1.65 0.00 0.00 177.43 176.53 3g3e h TYR 144 N -1.00 -0.29 -0.93 1.19 3.20 -0.43 0.11 116.97 118.82 3g3e h TYR 144 Ca -0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3g3e h TYR 144 Cb 0.63 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 3g3e h TYR 144 CO 0.17 -0.28 0.60 -0.07 -1.64 0.00 0.00 178.16 176.95 3g3e h LEU 145 N 0.02 1.08 -0.41 2.82 4.07 -1.10 0.45 115.31 122.24 3g3e h LEU 145 Ca 0.35 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 58.16 3g3e h LEU 145 Cb 0.55 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 3g3e h LEU 145 CO -0.69 0.80 -0.14 -0.61 -1.08 0.00 0.00 178.44 176.71 3g3e h GLN 146 N 1.27 0.83 0.02 1.13 4.15 -1.26 -0.18 115.11 121.06 3g3e h GLN 146 Ca 0.34 -0.34 0.01 0.00 0.77 0.00 0.00 58.65 59.43 3g3e h GLN 146 Cb -0.12 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3g3e h GLN 146 CO -0.07 0.97 -0.08 2.35 -1.93 0.00 0.00 178.83 180.06 3g3e h TRP 147 N 0.65 -0.21 -0.84 3.99 2.91 -0.12 -2.02 115.95 120.31 3g3e h TRP 147 Ca 0.10 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.17 3g3e h TRP 147 Cb 0.69 0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.38 3g3e h TRP 147 CO 0.05 -0.13 0.53 -0.07 -1.03 0.00 0.00 178.44 177.79 3g3e h LEU 148 N -0.16 0.86 -0.81 0.65 3.38 0.05 -1.83 115.31 117.45 3g3e h LEU 148 Ca 0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3g3e h LEU 148 Cb 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3g3e h LEU 148 CO -0.07 0.57 0.53 0.74 0.09 0.00 0.00 178.44 180.30 3g3e h THR 149 N 1.00 1.16 -0.26 0.22 2.02 -0.75 -1.32 112.91 114.98 3g3e h THR 149 Ca 0.35 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3g3e h THR 149 Cb 0.08 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 3g3e h THR 149 CO -0.14 0.19 0.03 -0.33 0.37 0.00 0.00 175.52 175.64 3g3e h GLU 150 N 1.05 0.44 -0.13 6.66 5.08 -0.99 0.43 114.58 127.13 3g3e h GLU 150 Ca 0.31 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3g3e h GLU 150 Cb -0.05 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3g3e h GLU 150 CO -0.09 0.57 0.04 0.00 -1.00 0.00 0.00 179.01 178.53 3g3e h ARG 151 N 0.24 0.09 -0.85 2.33 2.47 -1.12 -2.07 114.38 115.47 3g3e h ARG 151 Ca 0.08 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 3g3e h ARG 151 Cb 0.36 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 3g3e h ARG 151 CO 0.01 0.06 0.46 -0.07 0.56 0.00 0.00 179.97 180.99 3g3e h LEU 152 N 0.10 1.08 -0.92 3.04 4.07 -1.09 -2.30 115.31 119.28 3g3e h LEU 152 Ca 0.05 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 3g3e h LEU 152 Cb 0.04 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 3g3e h LEU 152 CO -0.06 0.87 -0.02 0.74 -1.08 0.00 0.00 178.44 178.89 3g3e h THR 153 N 1.20 1.24 0.00 0.22 2.02 -0.67 -0.71 112.91 116.20 3g3e h THR 153 Ca 0.30 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 3g3e h THR 153 Cb 0.04 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3g3e h THR 153 CO -0.05 0.36 -0.13 -0.33 0.37 0.00 0.00 175.52 175.74 3g3e h GLU 154 N 0.71 0.00 -0.37 6.66 5.08 -0.84 -2.31 114.58 123.51 3g3e h GLU 154 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3g3e h GLU 154 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3g3e h GLU 154 CO 0.02 0.13 0.00 0.54 -1.00 0.00 0.00 179.01 178.70 3g3e n ARG 155 N -3.34 1.95 -0.94 2.33 5.12 -0.67 -4.89 116.66 116.21 3g3e n ARG 155 Ca -0.00 -1.47 0.00 0.00 -1.93 0.00 0.00 57.85 54.45 3g3e n ARG 155 Cb 0.33 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 3g3e n ARG 155 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g3e n GLY 156 N 1.18 0.53 3.64 -0.13 0.00 -0.87 -5.00 105.19 104.54 3g3e n GLY 156 Ca 0.15 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3g3e n GLY 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3e s VAL 157 N -2.00 4.15 0.15 1.61 1.01 -0.36 -4.86 120.40 120.09 3g3e s VAL 157 Ca 0.00 1.32 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 3g3e s VAL 157 Cb 0.00 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 3g3e s VAL 157 CO 0.00 -0.41 0.62 -0.54 0.00 0.00 0.00 175.10 174.77 3g3e s LYS 158 N 4.07 4.16 -0.03 2.72 -0.14 -1.14 -4.27 119.74 125.11 3g3e s LYS 158 Ca 0.56 0.71 0.05 0.00 -1.36 0.00 0.00 55.97 55.94 3g3e s LYS 158 Cb -0.18 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 3g3e s LYS 158 CO 0.22 0.50 -0.19 -0.06 -0.76 0.00 0.00 175.35 175.06 3g3e s PHE 159 N -1.37 2.56 -0.00 3.18 0.40 -1.26 0.10 117.98 121.59 3g3e s PHE 159 Ca 0.37 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 3g3e s PHE 159 Cb -0.17 -1.57 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 3g3e s PHE 159 CO 0.20 0.12 -0.04 -0.06 0.70 0.00 0.00 175.22 176.14 3g3e s PHE 160 N -0.71 0.32 -0.42 0.36 0.40 0.46 -4.93 117.98 113.46 3g3e s PHE 160 Ca 0.11 -0.06 -0.15 0.00 -0.60 0.00 0.00 56.93 56.23 3g3e s PHE 160 Cb -0.10 -0.21 0.03 0.00 0.51 0.00 0.00 43.02 43.24 3g3e s PHE 160 CO 0.00 -0.01 0.32 1.14 0.70 0.00 0.00 175.22 177.38 3g3e s GLN 161 N -0.07 2.98 -0.07 0.44 1.03 -1.26 -2.27 119.66 120.44 3g3e s GLN 161 Ca 0.01 -1.06 -0.28 0.00 0.04 0.00 0.00 55.36 54.07 3g3e s GLN 161 Cb -0.02 -4.00 0.06 0.00 0.03 0.00 0.00 33.01 29.08 3g3e s GLN 161 CO -0.00 -0.80 0.62 -0.98 -2.54 0.00 0.00 175.29 171.59 3g3e s ARG 162 N 1.69 0.97 -0.30 9.60 1.70 -0.65 -4.94 118.95 127.01 3g3e s ARG 162 Ca 0.05 0.27 -0.19 0.00 -0.47 0.00 0.00 55.73 55.39 3g3e s ARG 162 Cb -0.20 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 3g3e s ARG 162 CO 0.10 -0.28 0.58 0.21 -1.08 0.00 0.00 175.30 174.82 3g3e s LYS 163 N -1.03 3.88 -0.12 3.89 2.20 -1.26 -2.71 119.74 124.60 3g3e s LYS 163 Ca -0.10 0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 3g3e s LYS 163 Cb -0.01 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3g3e s LYS 163 CO 0.08 -0.54 1.02 0.08 -0.36 0.00 0.00 175.35 175.63 3g3e s VAL 164 N 2.50 4.75 -0.14 4.02 1.01 -1.26 -4.94 120.40 126.33 3g3e s VAL 164 Ca 0.23 2.02 0.17 0.00 0.00 0.00 0.00 61.98 64.40 3g3e s VAL 164 Cb -0.15 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 3g3e s VAL 164 CO 0.12 -0.02 1.04 -0.33 0.00 0.00 0.00 175.10 175.91 3g3e h GLU 165 N 7.15 0.00 -1.78 2.72 4.39 -1.95 -3.48 114.58 121.63 3g3e h GLU 165 Ca -0.30 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.41 3g3e h GLU 165 Cb 1.14 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.58 3g3e h GLU 165 CO 0.87 0.33 0.36 -1.54 -1.16 0.00 0.00 179.01 177.87 3g3e s SER 166 N -5.96 -0.52 0.54 1.42 1.04 -1.26 -4.84 113.70 104.12 3g3e s SER 166 Ca -0.00 0.61 0.20 0.00 0.48 0.00 0.00 55.95 57.23 3g3e s SER 166 Cb 0.08 0.48 1.40 0.00 0.10 0.00 0.00 66.02 68.09 3g3e s SER 166 CO 0.79 -0.45 2.15 -0.26 0.98 0.00 0.00 173.24 176.45 3g3e h PHE 167 N 2.94 0.00 -0.30 5.02 0.04 -1.93 -2.44 116.94 120.26 3g3e h PHE 167 Ca -0.23 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.47 3g3e h PHE 167 Cb 1.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 3g3e h PHE 167 CO 0.34 0.00 -0.07 1.49 -0.60 0.00 0.00 178.31 179.47 3g3e h GLU 168 N 0.00 0.57 -0.40 1.51 4.81 -1.96 -1.49 114.58 117.62 3g3e h GLU 168 Ca 0.03 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3g3e h GLU 168 Cb 0.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3g3e h GLU 168 CO -0.00 0.77 0.21 1.05 -0.73 0.00 0.00 179.01 180.31 3g3e h GLU 169 N 0.34 0.54 0.01 1.92 4.11 -1.83 0.23 114.58 119.90 3g3e h GLU 169 Ca 0.08 -0.05 -0.27 0.00 0.07 0.00 0.00 59.36 59.19 3g3e h GLU 169 Cb 0.55 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.71 3g3e h GLU 169 CO 0.03 0.40 -1.06 0.28 0.07 0.00 0.00 179.01 178.73 3g3e h VAL 170 N 0.55 1.28 -0.26 -1.06 2.07 -1.43 -2.78 116.25 114.62 3g3e h VAL 170 Ca 0.14 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.37 3g3e h VAL 170 Cb 0.02 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3g3e h VAL 170 CO -0.02 0.70 0.06 0.00 0.02 0.00 0.00 177.57 178.33 3g3e h ALA 171 N 0.39 0.35 -0.08 1.67 0.00 -0.62 -2.49 119.26 118.48 3g3e h ALA 171 Ca -0.14 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3g3e h ALA 171 Cb 1.72 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3g3e h ALA 171 CO 0.21 0.01 0.08 0.00 0.00 0.00 0.00 179.25 179.55 3g3e h ARG 172 N 0.25 0.00 0.00 0.00 3.08 -0.57 0.27 114.38 117.41 3g3e h ARG 172 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3g3e h ARG 172 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3g3e h ARG 172 CO 0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 3g3e n GLU 173 N -3.90 0.26 0.00 0.04 1.02 -0.95 -4.89 120.64 112.23 3g3e n GLU 173 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3g3e n GLU 173 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3g3e n GLU 173 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3e n GLY 174 N 1.30 1.39 3.75 0.62 0.00 0.94 -5.09 105.19 108.10 3g3e n GLY 174 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3g3e n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3e s ALA 175 N -2.00 3.41 -0.12 4.61 0.00 -1.15 -4.79 121.76 121.73 3g3e s ALA 175 Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.94 3g3e s ALA 175 Cb 0.00 -3.36 -0.24 0.00 0.00 0.00 0.00 23.12 19.52 3g3e s ALA 175 CO 0.00 -0.25 0.37 -0.25 0.00 0.00 0.00 175.76 175.63 3g3e n ASP 176 N 1.74 1.23 -3.86 0.00 10.43 0.74 -4.73 116.55 122.12 3g3e n ASP 176 Ca 0.01 0.22 -0.17 0.00 2.57 0.00 0.00 54.79 57.42 3g3e n ASP 176 Cb 0.45 -0.17 -0.16 0.00 1.84 0.00 0.00 41.12 43.08 3g3e n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3g3e s VAL 177 N -2.56 0.28 -0.21 2.53 1.01 -1.02 -2.94 120.40 117.48 3g3e s VAL 177 Ca -0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 3g3e s VAL 177 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 3g3e s VAL 177 CO 0.78 0.15 -0.01 -0.63 0.00 0.00 0.00 175.10 175.40 3g3e s ILE 178 N 0.78 3.79 -0.31 2.22 1.01 0.06 -0.70 121.20 128.06 3g3e s ILE 178 Ca -0.08 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 3g3e s ILE 178 Cb -0.12 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3g3e s ILE 178 CO -0.01 0.42 0.19 -0.69 0.00 0.00 0.00 174.94 174.85 3g3e s VAL 179 N 1.22 5.09 -0.52 2.92 1.01 0.49 -1.27 120.40 129.33 3g3e s VAL 179 Ca 0.03 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 3g3e s VAL 179 Cb -0.15 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.79 3g3e s VAL 179 CO 0.01 0.12 0.55 0.21 0.00 0.00 0.00 175.10 175.99 3g3e s ASN 180 N 1.71 6.19 -0.39 3.32 3.04 0.54 -0.45 114.94 128.89 3g3e s ASN 180 Ca 0.06 -1.33 0.10 0.00 0.04 0.00 0.00 52.86 51.72 3g3e s ASN 180 Cb -0.17 -2.25 0.44 0.00 -1.54 0.00 0.00 41.25 37.73 3g3e s ASN 180 CO 0.09 -0.87 1.07 0.00 -3.04 0.00 0.00 177.10 174.35 3g3e n THR 182 N -0.37 0.15 -2.50 0.00 -2.24 -1.24 -4.37 114.28 103.71 3g3e n THR 182 Ca 0.29 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3g3e n THR 182 Cb 0.73 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3g3e n THR 182 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g3e n GLY 183 N 1.29 3.15 0.10 3.38 0.00 -1.26 -2.01 105.19 109.84 3g3e n GLY 183 Ca 0.17 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3g3e n GLY 183 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3g3e n VAL 184 N 0.00 1.15 -0.63 1.61 3.14 -1.26 -2.14 118.33 120.19 3g3e n VAL 184 Ca 0.00 0.47 0.09 0.00 -2.96 0.00 0.00 64.34 61.94 3g3e n VAL 184 Cb 0.00 -1.42 0.33 0.00 -1.06 0.00 0.00 33.84 31.69 3g3e n VAL 184 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 3g3e n TRP 185 N -2.01 1.33 0.17 1.45 8.01 -0.85 -4.54 117.44 121.01 3g3e n TRP 185 Ca 0.01 -0.64 0.03 0.00 -1.31 0.00 0.00 57.50 55.59 3g3e n TRP 185 Cb 0.10 -0.24 0.40 0.00 -2.01 0.00 0.00 31.31 29.57 3g3e n TRP 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3g3e h ALA 186 N 3.59 1.50 -0.52 6.99 0.00 -1.52 -2.66 119.26 126.63 3g3e h ALA 186 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3g3e h ALA 186 Cb 1.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3g3e h ALA 186 CO 0.21 0.37 0.35 0.78 0.00 0.00 0.00 179.25 180.96 3g3e h GLY 187 N 0.85 0.53 1.89 0.00 0.00 -1.80 0.10 103.07 104.64 3g3e h GLY 187 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3g3e h GLY 187 CO 0.03 0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.70 3g3e n ALA 188 N -2.51 1.41 -0.04 3.60 0.00 -1.00 -2.51 120.51 119.45 3g3e n ALA 188 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 3g3e n ALA 188 Cb 0.28 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 3g3e n ALA 188 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g3e n LEU 189 N -1.45 0.00 -3.34 0.00 4.77 -0.00 -4.88 117.00 112.10 3g3e n LEU 189 Ca 0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 3g3e n LEU 189 Cb 0.09 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3g3e n LEU 189 CO 0.07 0.20 0.34 -1.58 -1.33 0.00 0.00 177.39 175.10 3g3e s GLN 190 N -2.45 0.46 0.26 3.23 0.74 -1.05 -4.69 119.66 116.16 3g3e s GLN 190 Ca -0.05 0.97 -0.31 0.00 0.05 0.00 0.00 55.36 56.02 3g3e s GLN 190 Cb 0.05 0.57 -0.12 0.00 1.10 0.00 0.00 33.01 34.60 3g3e s GLN 190 CO 0.49 -0.34 1.55 2.89 -0.55 0.00 0.00 175.29 179.33 3g3e n ARG 191 N 5.36 2.46 -3.43 1.67 1.85 -1.12 -4.10 116.66 119.34 3g3e n ARG 191 Ca -0.07 0.88 -0.23 0.00 -1.00 0.00 0.00 57.85 57.43 3g3e n ARG 191 Cb 0.51 -2.63 -0.10 0.00 -1.05 0.00 0.00 32.46 29.19 3g3e n ARG 191 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3g3e s ASP 192 N 0.54 2.23 0.34 2.89 -1.08 -1.26 -5.00 116.67 115.33 3g3e s ASP 192 Ca 0.68 -1.69 0.26 0.00 -0.52 0.00 0.00 52.55 51.28 3g3e s ASP 192 Cb -0.56 0.07 1.15 0.00 -1.46 0.00 0.00 42.92 42.12 3g3e s ASP 192 CO 0.46 -0.32 1.79 1.55 0.52 0.00 0.00 175.17 179.17 3g3e h PRO 193 N 7.35 0.00 -0.00 4.34 0.13 -1.99 -1.63 132.00 140.20 3g3e h PRO 193 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3g3e h PRO 193 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3g3e h PRO 193 CO 0.27 0.00 -0.18 1.28 -0.23 0.00 0.00 178.00 179.14 3g3e n LEU 194 N -2.45 0.23 -4.74 1.56 4.77 -1.26 -4.72 117.00 110.39 3g3e n LEU 194 Ca 0.01 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.89 3g3e n LEU 194 Cb 0.21 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 3g3e n LEU 194 CO 0.20 0.05 -0.06 -0.22 -1.33 0.00 0.00 177.39 176.03 3g3e s LEU 195 N -2.91 4.25 0.04 2.23 2.96 -0.61 -4.12 118.68 120.51 3g3e s LEU 195 Ca 0.16 0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 54.38 3g3e s LEU 195 Cb 0.19 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3g3e s LEU 195 CO 0.58 0.15 0.30 0.00 -1.32 0.00 0.00 176.35 176.06 3g3e s GLN 196 N 0.28 0.79 0.15 1.98 -2.07 -0.17 -4.98 119.66 115.65 3g3e s GLN 196 Ca 0.14 -0.47 -0.30 0.00 -1.82 0.00 0.00 55.36 52.92 3g3e s GLN 196 Cb -0.13 0.34 -0.07 0.00 -1.09 0.00 0.00 33.01 32.07 3g3e s GLN 196 CO 0.03 -0.25 1.16 -1.25 -1.32 0.00 0.00 175.29 173.65 3g3e s PRO 197 N -2.40 4.52 -0.71 9.60 0.04 -1.26 -0.38 135.00 144.41 3g3e s PRO 197 Ca -0.06 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 62.69 3g3e s PRO 197 Cb -0.01 -3.28 0.18 0.00 0.04 0.00 0.00 34.50 31.43 3g3e s PRO 197 CO -0.02 -0.06 0.57 0.20 0.04 0.00 0.00 177.00 177.73 3g3e s GLY 198 N 0.27 2.56 0.20 0.56 0.00 0.16 -1.14 107.32 109.93 3g3e s GLY 198 Ca 0.53 -3.27 -0.31 0.00 0.00 0.00 0.00 44.72 41.66 3g3e s GLY 198 CO 0.34 1.17 1.52 -1.60 0.00 0.00 0.00 173.10 174.53 3g3e s ARG 199 N 0.05 4.23 0.16 2.90 3.52 -0.73 -1.53 118.95 127.56 3g3e s ARG 199 Ca 0.17 2.35 0.08 0.00 -0.13 0.00 0.00 55.73 58.20 3g3e s ARG 199 Cb -0.16 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3g3e s ARG 199 CO -0.06 -0.55 -0.16 0.20 -0.81 0.00 0.00 175.30 173.93 3g3e s GLY 200 N 0.85 1.33 -0.00 8.12 0.00 0.20 -1.33 107.32 116.48 3g3e s GLY 200 Ca 0.66 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3g3e s GLY 200 CO 0.36 -1.55 -0.01 1.62 0.00 0.00 0.00 173.10 173.52 3g3e s GLN 201 N -2.98 0.14 0.06 2.90 0.74 -1.26 -0.68 119.66 118.59 3g3e s GLN 201 Ca 0.16 -0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.55 3g3e s GLN 201 Cb -0.04 -0.17 -0.03 0.00 1.10 0.00 0.00 33.01 33.87 3g3e s GLN 201 CO 0.06 0.01 -0.07 0.96 -0.55 0.00 0.00 175.29 175.70 3g3e s ILE 202 N 0.13 0.56 -0.02 -2.34 -5.25 0.08 -4.29 121.20 110.07 3g3e s ILE 202 Ca -0.01 -1.46 0.03 0.00 -0.99 0.00 0.00 60.65 58.22 3g3e s ILE 202 Cb -0.03 -1.08 -0.03 0.00 2.95 0.00 0.00 42.46 44.27 3g3e s ILE 202 CO -0.00 -0.62 -0.10 -0.04 -1.79 0.00 0.00 174.94 172.38 3g3e s MET 203 N -2.63 2.52 -0.18 0.37 -1.94 0.17 -1.28 119.30 116.33 3g3e s MET 203 Ca -0.00 -0.71 -0.05 0.00 -1.71 0.00 0.00 55.69 53.22 3g3e s MET 203 Cb -0.03 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.34 3g3e s MET 203 CO -0.02 0.61 -0.00 0.15 -0.01 0.00 0.00 175.02 175.75 3g3e s LYS 204 N -1.10 3.72 0.12 2.03 1.02 0.10 0.11 119.74 125.75 3g3e s LYS 204 Ca 0.14 -0.48 0.07 0.00 0.02 0.00 0.00 55.97 55.72 3g3e s LYS 204 Cb -0.11 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 3g3e s LYS 204 CO 0.04 0.17 -0.18 0.54 -0.92 0.00 0.00 175.35 175.00 3g3e s VAL 205 N 0.58 1.58 -0.69 3.17 0.11 0.11 -0.51 120.40 124.75 3g3e s VAL 205 Ca -0.01 -1.68 -0.22 0.00 -2.93 0.00 0.00 61.98 57.14 3g3e s VAL 205 Cb -0.14 -1.58 0.08 0.00 -1.53 0.00 0.00 36.38 33.20 3g3e s VAL 205 CO 0.02 -0.25 0.98 -0.62 -3.33 0.00 0.00 175.10 171.90 3g3e s ASP 206 N -2.27 6.22 -0.38 3.54 2.15 0.87 -0.23 116.67 126.57 3g3e s ASP 206 Ca 0.09 -1.10 0.12 0.00 0.43 0.00 0.00 52.55 52.09 3g3e s ASP 206 Cb -0.07 -2.42 0.37 0.00 -0.30 0.00 0.00 42.92 40.50 3g3e s ASP 206 CO 0.04 -1.41 0.87 0.00 -0.17 0.00 0.00 175.17 174.51 3g3e n ALA 207 N 7.60 1.70 0.57 3.66 0.00 -1.26 -3.71 120.51 129.08 3g3e n ALA 207 Ca -0.01 -2.89 0.06 0.00 0.00 0.00 0.00 53.44 50.60 3g3e n ALA 207 Cb 0.46 -0.98 0.30 0.00 0.00 0.00 0.00 19.45 19.23 3g3e n ALA 207 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3g3e n PRO 208 N 0.19 0.19 0.00 0.00 -0.04 -1.26 -0.44 135.00 133.64 3g3e n PRO 208 Ca 0.17 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 3g3e n PRO 208 Cb 0.71 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 33.14 3g3e n PRO 208 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3g3e n TRP 209 N -1.25 0.00 -2.80 0.54 2.14 -1.26 -4.72 117.44 110.09 3g3e n TRP 209 Ca 0.06 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.20 3g3e n TRP 209 Cb 0.08 -0.32 -0.04 0.00 -0.81 0.00 0.00 31.31 30.22 3g3e n TRP 209 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 3g3e s MET 210 N -2.87 3.73 0.00 -2.67 -1.94 0.42 -4.89 119.30 111.09 3g3e s MET 210 Ca 0.17 0.44 0.09 0.00 -1.71 0.00 0.00 55.69 54.68 3g3e s MET 210 Cb 0.19 -3.85 0.01 0.00 2.01 0.00 0.00 34.83 33.19 3g3e s MET 210 CO 0.58 -1.07 0.63 1.63 -0.01 0.00 0.00 175.02 176.79 3g3e n LYS 211 N 6.97 1.74 -4.41 2.03 4.76 -1.26 -4.77 118.16 123.22 3g3e n LYS 211 Ca 0.07 -0.67 -0.21 0.00 -2.87 0.00 0.00 58.31 54.63 3g3e n LYS 211 Cb 0.48 -1.07 -0.10 0.00 -1.84 0.00 0.00 35.03 32.50 3g3e n LYS 211 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3g3e s HIS 212 N -1.14 1.97 0.18 2.13 3.76 -1.26 -4.54 115.29 116.39 3g3e s HIS 212 Ca 0.08 -0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 54.48 3g3e s HIS 212 Cb 0.07 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 3g3e s HIS 212 CO 0.20 0.49 0.38 -0.59 -0.85 0.00 0.00 174.74 174.36 3g3e s PHE 213 N -2.80 3.48 -0.12 1.40 -0.12 -0.84 -4.42 117.98 114.57 3g3e s PHE 213 Ca 0.26 0.38 -0.03 0.00 -0.05 0.00 0.00 56.93 57.50 3g3e s PHE 213 Cb -0.02 -1.88 0.05 0.00 -0.63 0.00 0.00 43.02 40.54 3g3e s PHE 213 CO 0.11 0.40 0.05 0.42 -0.05 0.00 0.00 175.22 176.15 3g3e s ILE 214 N -1.80 0.14 -0.18 -4.49 1.01 -0.64 0.44 121.20 115.68 3g3e s ILE 214 Ca 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 3g3e s ILE 214 Cb -0.11 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 3g3e s ILE 214 CO 0.28 -0.03 -0.05 -0.76 0.00 0.00 0.00 174.94 174.38 3g3e s LEU 215 N 2.05 3.00 0.11 2.97 1.43 0.12 -1.48 118.68 126.89 3g3e s LEU 215 Ca 0.03 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3g3e s LEU 215 Cb -0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3g3e s LEU 215 CO -0.06 0.08 0.28 0.42 0.23 0.00 0.00 176.35 177.30 3g3e s THR 216 N 0.88 5.31 -0.08 5.49 -4.23 -1.01 -0.74 115.64 121.26 3g3e s THR 216 Ca -0.01 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 3g3e s THR 216 Cb -0.15 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.04 3g3e s THR 216 CO 0.01 0.02 -0.12 -1.00 -0.54 0.00 0.00 174.62 172.99 3g3e s HIS 217 N -1.64 1.59 -0.19 3.99 0.09 0.16 -4.69 115.29 114.60 3g3e s HIS 217 Ca 0.36 -0.66 -0.03 0.00 -0.00 0.00 0.00 55.06 54.73 3g3e s HIS 217 Cb -0.12 -1.18 0.06 0.00 -0.00 0.00 0.00 32.58 31.34 3g3e s HIS 217 CO 0.28 -0.36 0.05 0.34 -0.00 0.00 0.00 174.74 175.05 3g3e s ASP 218 N 0.88 2.75 0.50 1.40 -1.08 -1.26 -4.33 116.67 115.52 3g3e s ASP 218 Ca -0.10 -0.76 0.17 0.00 -0.52 0.00 0.00 52.55 51.33 3g3e s ASP 218 Cb -0.15 -0.49 1.21 0.00 -1.46 0.00 0.00 42.92 42.03 3g3e s ASP 218 CO 0.01 -0.32 2.08 1.55 0.52 0.00 0.00 175.17 179.01 3g3e h PRO 219 N 8.29 0.13 -0.45 4.34 0.13 -1.99 0.28 132.00 142.73 3g3e h PRO 219 Ca -0.16 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.86 3g3e h PRO 219 Cb 1.13 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3g3e h PRO 219 CO 0.32 0.08 -0.15 0.93 -0.23 0.00 0.00 178.00 178.95 3g3e h GLU 220 N 0.13 0.86 0.03 0.86 4.39 -2.02 -3.31 114.58 115.53 3g3e h GLU 220 Ca 0.12 -0.32 -0.35 0.00 0.34 0.00 0.00 59.36 59.15 3g3e h GLU 220 Cb 0.31 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 3g3e h GLU 220 CO -0.02 0.96 -2.10 0.54 -1.16 0.00 0.00 179.01 177.23 3g3e n ARG 221 N -4.14 0.68 0.00 2.33 5.12 -0.88 -5.09 116.66 114.68 3g3e n ARG 221 Ca 0.01 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 3g3e n ARG 221 Cb 0.41 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 3g3e n ARG 221 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3g3e n GLY 222 N 1.85 -0.01 3.32 -0.13 0.00 0.94 -4.66 105.19 106.51 3g3e n GLY 222 Ca -0.30 -1.80 -0.47 0.00 0.00 0.00 0.00 46.02 43.45 3g3e n GLY 222 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g3e n ILE 223 N 0.14 1.89 -0.82 -0.61 0.13 -1.26 -1.19 119.36 117.64 3g3e n ILE 223 Ca 0.00 -0.49 -0.00 0.00 -1.10 0.00 0.00 62.75 61.16 3g3e n ILE 223 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3g3e n ILE 223 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3g3e n TYR 224 N -0.05 -0.00 -0.89 9.51 0.53 -1.26 -4.71 117.16 120.29 3g3e n TYR 224 Ca 0.17 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 57.14 3g3e n TYR 224 Cb 0.25 -1.73 0.16 0.00 -1.03 0.00 0.00 39.34 37.00 3g3e n TYR 224 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 3g3e n ASN 225 N -0.26 2.82 -4.23 7.72 5.15 -0.33 -2.58 115.26 123.54 3g3e n ASN 225 Ca -0.00 -2.89 -0.14 0.00 -0.60 0.00 0.00 54.58 50.95 3g3e n ASN 225 Cb 0.41 -0.41 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 3g3e n ASN 225 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3g3e s SER 226 N -2.29 1.66 0.07 1.20 1.04 -1.25 -4.71 113.70 109.41 3g3e s SER 226 Ca 0.31 -0.99 -0.36 0.00 0.48 0.00 0.00 55.95 55.39 3g3e s SER 226 Cb 0.26 0.01 -0.16 0.00 0.10 0.00 0.00 66.02 66.23 3g3e s SER 226 CO 0.05 -0.35 1.43 -2.65 0.98 0.00 0.00 173.24 172.70 3g3e n PRO 227 N -0.11 1.38 -4.11 4.02 -0.02 -1.26 -4.25 135.00 130.65 3g3e n PRO 227 Ca -0.11 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 61.75 3g3e n PRO 227 Cb 0.60 -2.17 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 3g3e n PRO 227 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3g3e s TYR 228 N 0.87 0.78 -0.07 6.00 -0.85 -0.86 -2.41 117.35 120.81 3g3e s TYR 228 Ca 0.84 -0.68 -0.01 0.00 -0.52 0.00 0.00 57.07 56.71 3g3e s TYR 228 Cb -0.90 -0.46 0.03 0.00 0.38 0.00 0.00 41.96 41.01 3g3e s TYR 228 CO 0.46 -0.11 -0.01 0.42 -1.52 0.00 0.00 175.55 174.80 3g3e s ILE 229 N -2.34 0.43 -0.29 -3.49 1.01 -0.55 -1.58 121.20 114.40 3g3e s ILE 229 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 3g3e s ILE 229 Cb -0.03 -0.57 0.09 0.00 0.01 0.00 0.00 42.46 41.95 3g3e s ILE 229 CO -0.02 0.27 0.08 -0.63 0.00 0.00 0.00 174.94 174.65 3g3e s ILE 230 N 1.92 0.76 0.28 2.92 1.01 -0.56 -1.63 121.20 125.89 3g3e s ILE 230 Ca 0.04 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 3g3e s ILE 230 Cb -0.12 -1.50 -0.11 0.00 0.01 0.00 0.00 42.46 40.73 3g3e s ILE 230 CO -0.05 -0.58 1.57 -2.84 0.00 0.00 0.00 174.94 173.03 3g3e s PRO 231 N 1.69 4.15 0.00 2.79 0.02 -1.26 -1.15 135.00 141.24 3g3e s PRO 231 Ca 0.07 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3g3e s PRO 231 Cb -0.17 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3g3e s PRO 231 CO -0.23 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 3g3e n GLY 232 N 2.30 5.29 0.15 0.52 0.00 0.21 -4.92 105.19 108.74 3g3e n GLY 232 Ca 0.08 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 3g3e n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g3e h THR 233 N 0.12 1.38 -0.04 2.61 1.35 -1.96 -3.37 112.91 113.00 3g3e h THR 233 Ca 0.00 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 3g3e h THR 233 Cb 0.00 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3g3e h THR 233 CO 0.00 0.67 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 3g3e n GLN 234 N -4.05 0.49 0.00 4.72 1.13 -1.26 -5.05 117.38 113.37 3g3e n GLN 234 Ca -0.12 -1.12 0.00 0.00 -1.94 0.00 0.00 57.00 53.82 3g3e n GLN 234 Cb 0.80 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.98 3g3e n GLN 234 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3g3e n THR 235 N 0.48 0.00 -3.63 5.09 -1.04 -1.26 -4.93 114.28 108.99 3g3e n THR 235 Ca 0.06 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.70 3g3e n THR 235 Cb 0.24 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.66 3g3e n THR 235 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3g3e s VAL 236 N -2.00 5.35 -0.15 12.58 1.01 0.68 -0.62 120.40 137.25 3g3e s VAL 236 Ca 0.00 0.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 3g3e s VAL 236 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 3g3e s VAL 236 CO 0.00 0.37 0.79 -0.89 0.00 0.00 0.00 175.10 175.37 3g3e s THR 237 N 0.79 4.92 -0.19 3.92 2.01 -0.30 0.04 115.64 126.83 3g3e s THR 237 Ca 0.10 1.56 -0.05 0.00 0.31 0.00 0.00 61.69 63.61 3g3e s THR 237 Cb -0.13 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 3g3e s THR 237 CO 0.03 0.08 0.01 -0.76 -0.69 0.00 0.00 174.62 173.29 3g3e s LEU 238 N 1.85 3.37 0.00 4.42 1.02 0.31 -1.49 118.68 128.15 3g3e s LEU 238 Ca 0.37 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.39 3g3e s LEU 238 Cb -0.17 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.19 3g3e s LEU 238 CO 0.14 0.10 0.00 0.61 0.02 0.00 0.00 176.35 177.21 3g3e n GLY 239 N 4.02 3.94 0.00 -3.19 0.00 -0.62 0.41 105.19 109.75 3g3e n GLY 239 Ca -0.17 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3g3e n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3e n GLY 240 N 0.00 0.21 2.96 -0.02 0.00 -1.26 -2.02 105.19 105.06 3g3e n GLY 240 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3g3e n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g3e s ILE 241 N -0.36 0.98 -0.15 -0.61 -1.09 -1.07 -3.95 121.20 114.95 3g3e s ILE 241 Ca 0.00 -0.35 -0.04 0.00 -2.23 0.00 0.00 60.65 58.03 3g3e s ILE 241 Cb 0.00 -0.94 0.06 0.00 -1.58 0.00 0.00 42.46 40.00 3g3e s ILE 241 CO 0.00 0.33 0.12 0.12 -1.23 0.00 0.00 174.94 174.28 3g3e s PHE 242 N 1.00 0.03 -0.36 3.97 2.19 -1.22 -4.26 117.98 119.33 3g3e s PHE 242 Ca -0.09 -0.00 0.02 0.00 0.33 0.00 0.00 56.93 57.19 3g3e s PHE 242 Cb -0.15 -0.54 0.11 0.00 -1.31 0.00 0.00 43.02 41.13 3g3e s PHE 242 CO -0.00 -0.45 0.11 -0.65 1.83 0.00 0.00 175.22 176.06 3g3e s GLN 243 N 2.20 1.20 0.13 10.12 -0.21 -0.44 -4.89 119.66 127.77 3g3e s GLN 243 Ca 0.04 -1.65 -0.31 0.00 0.02 0.00 0.00 55.36 53.45 3g3e s GLN 243 Cb -0.15 -2.63 -0.08 0.00 1.00 0.00 0.00 33.01 31.15 3g3e s GLN 243 CO -0.08 -1.00 1.37 -1.17 -2.12 0.00 0.00 175.29 172.28 3g3e s LEU 244 N 0.99 4.38 0.00 2.90 2.96 -1.26 -1.77 118.68 126.88 3g3e s LEU 244 Ca 0.12 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 3g3e s LEU 244 Cb -0.20 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3g3e s LEU 244 CO -0.13 -0.63 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 3g3e n GLY 245 N 3.24 1.55 3.60 7.98 0.00 -0.29 -4.98 105.19 116.29 3g3e n GLY 245 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3g3e n GLY 245 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g3e s ASN 246 N -3.24 6.65 -0.23 1.61 3.84 -1.09 -4.90 114.94 117.57 3g3e s ASN 246 Ca 0.00 0.53 0.14 0.00 0.21 0.00 0.00 52.86 53.74 3g3e s ASN 246 Cb 0.00 -2.44 0.81 0.00 -0.55 0.00 0.00 41.25 39.07 3g3e s ASN 246 CO 0.00 -0.80 1.74 0.79 -2.79 0.00 0.00 177.10 176.04 3g3e n TRP 247 N 6.63 2.03 -2.82 0.43 7.02 -1.26 -4.44 117.44 125.04 3g3e n TRP 247 Ca 0.06 -0.73 -0.43 0.00 -1.02 0.00 0.00 57.50 55.38 3g3e n TRP 247 Cb 0.48 -0.50 -0.04 0.00 -2.42 0.00 0.00 31.31 28.83 3g3e n TRP 247 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3g3e s SER 248 N -0.84 6.35 -1.24 -0.99 0.15 -1.26 -4.93 113.70 110.94 3g3e s SER 248 Ca 0.54 -0.31 -0.09 0.00 0.70 0.00 0.00 55.95 56.79 3g3e s SER 248 Cb 0.41 -2.44 0.19 0.00 -1.71 0.00 0.00 66.02 62.47 3g3e s SER 248 CO 0.16 -1.24 1.74 1.21 1.20 0.00 0.00 173.24 176.31 3g3e n GLU 249 N 7.53 3.70 -3.67 5.44 2.13 -1.26 -4.83 120.64 129.68 3g3e n GLU 249 Ca 0.02 -3.74 -0.09 0.00 0.66 0.00 0.00 57.16 54.01 3g3e n GLU 249 Cb 0.48 -2.88 -0.09 0.00 0.27 0.00 0.00 31.44 29.22 3g3e n GLU 249 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3g3e s LEU 250 N -0.27 -0.48 0.22 4.31 2.96 -1.26 -5.03 118.68 119.13 3g3e s LEU 250 Ca 0.39 1.20 -0.31 0.00 -0.22 0.00 0.00 54.13 55.18 3g3e s LEU 250 Cb 0.07 1.87 -0.11 0.00 0.50 0.00 0.00 46.19 48.52 3g3e s LEU 250 CO 0.02 -0.21 1.64 0.20 -1.32 0.00 0.00 176.35 176.67 3g3e s ASN 251 N 1.37 6.44 -0.20 3.68 0.01 -1.26 -4.92 114.94 120.06 3g3e s ASN 251 Ca -0.09 2.82 -0.06 0.00 -0.71 0.00 0.00 52.86 54.83 3g3e s ASN 251 Cb -0.06 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 3g3e s ASN 251 CO -0.14 -0.91 0.03 0.21 -1.51 0.00 0.00 177.10 174.78 3g3e s ASN 252 N 0.95 5.14 0.20 -1.22 2.47 -1.26 -5.03 114.94 116.18 3g3e s ASN 252 Ca 0.70 -0.10 -0.15 0.00 0.42 0.00 0.00 52.86 53.73 3g3e s ASN 252 Cb -0.47 -1.88 0.19 0.00 -1.45 0.00 0.00 41.25 37.63 3g3e s ASN 252 CO 0.37 0.10 1.63 0.40 -3.72 0.00 0.00 177.10 175.87 3g3e h ILE 253 N 5.22 0.40 -0.57 -5.21 1.08 -1.99 0.28 117.51 116.73 3g3e h ILE 253 Ca -0.36 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 3g3e h ILE 253 Cb 1.18 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 3g3e h ILE 253 CO 0.63 0.00 0.33 1.56 -0.69 0.00 0.00 178.15 179.98 3g3e h GLN 254 N -0.03 0.63 -0.56 2.37 1.08 -1.99 -1.27 115.11 115.34 3g3e h GLN 254 Ca 0.27 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.32 3g3e h GLN 254 Cb 0.44 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 3g3e h GLN 254 CO -0.59 0.41 -0.08 -0.44 -0.95 0.00 0.00 178.83 177.19 3g3e h ASP 255 N 0.64 1.03 -0.38 1.46 3.32 -1.82 -0.42 116.42 120.26 3g3e h ASP 255 Ca 0.24 -0.34 0.08 0.00 0.02 0.00 0.00 57.03 57.03 3g3e h ASP 255 Cb 0.06 -0.28 -0.08 0.00 0.22 0.00 0.00 39.33 39.25 3g3e h ASP 255 CO -0.12 1.12 -0.17 -0.74 -1.72 0.00 0.00 179.24 177.61 3g3e h HIS 256 N 0.91 -0.42 -0.44 4.55 -0.00 -0.64 -0.89 115.15 118.22 3g3e h HIS 256 Ca 0.15 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3g3e h HIS 256 Cb 0.64 0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 28.27 3g3e h HIS 256 CO 0.04 -0.25 0.23 -0.91 -0.00 0.00 0.00 177.93 177.04 3g3e h ASN 257 N -0.10 0.56 -0.47 3.26 2.35 -0.76 0.54 115.58 120.96 3g3e h ASN 257 Ca 0.19 -0.11 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 3g3e h ASN 257 Cb 0.39 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 3g3e h ASN 257 CO -0.44 0.51 0.16 0.74 -1.65 0.00 0.00 177.43 176.75 3g3e h THR 258 N 0.58 0.84 0.22 2.81 2.02 -0.33 0.09 112.91 119.14 3g3e h THR 258 Ca 0.15 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3g3e h THR 258 Cb 0.09 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3g3e h THR 258 CO -0.02 0.06 -0.11 0.40 0.37 0.00 0.00 175.52 176.22 3g3e h ILE 259 N 0.34 0.85 -0.52 3.11 2.04 -1.05 -1.46 117.51 120.82 3g3e h ILE 259 Ca 0.22 -0.55 0.09 0.00 1.00 0.00 0.00 64.86 65.62 3g3e h ILE 259 Cb 0.23 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 3g3e h ILE 259 CO -0.23 0.12 0.11 -0.25 0.00 0.00 0.00 178.15 177.90 3g3e h TRP 260 N -0.58 0.17 0.00 1.37 2.91 -0.59 -0.83 115.95 118.40 3g3e h TRP 260 Ca -0.03 0.03 -0.21 0.00 1.13 0.00 0.00 58.89 59.81 3g3e h TRP 260 Cb 0.43 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.05 3g3e h TRP 260 CO 0.02 -0.01 -1.01 0.93 -1.03 0.00 0.00 178.44 177.33 3g3e h GLU 261 N 0.24 0.00 -0.24 2.65 5.08 -0.99 -1.46 114.58 119.86 3g3e h GLU 261 Ca 0.26 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 3g3e h GLU 261 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3g3e h GLU 261 CO -0.34 0.92 -0.17 0.78 -1.00 0.00 0.00 179.01 179.20 3g3e h GLY 262 N 3.08 0.59 1.07 -3.84 0.00 -1.06 -2.31 103.07 100.59 3g3e h GLY 262 Ca -0.03 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.59 3g3e h GLY 262 CO 0.12 0.51 -0.38 0.00 0.00 0.00 0.00 176.54 176.79 3g3e h ARG 265 N 0.00 0.33 -0.72 0.00 2.43 -1.02 -2.60 114.38 112.80 3g3e h ARG 265 Ca -0.00 -0.26 0.04 0.00 -0.81 0.00 0.00 59.98 58.94 3g3e h ARG 265 Cb 0.25 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 3g3e h ARG 265 CO 0.02 0.90 0.44 1.25 -1.51 0.00 0.00 179.97 181.07 3g3e h LEU 266 N -0.17 0.71 -6.55 3.80 6.46 -0.02 -3.38 115.31 116.16 3g3e h LEU 266 Ca -0.02 0.01 -0.39 0.00 -0.12 0.00 0.00 57.88 57.35 3g3e h LEU 266 Cb 0.96 -0.14 -0.35 0.00 -0.73 0.00 0.00 40.66 40.40 3g3e h LEU 266 CO 0.06 0.48 -0.69 -0.70 -0.62 0.00 0.00 178.44 176.98 3g3e s GLU 267 N -6.11 0.35 0.58 1.25 2.56 0.13 -4.95 118.70 112.52 3g3e s GLU 267 Ca -0.13 -0.40 0.29 0.00 0.00 0.00 0.00 54.97 54.73 3g3e s GLU 267 Cb 0.16 -0.81 1.50 0.00 2.00 0.00 0.00 34.13 36.98 3g3e s GLU 267 CO 0.77 -1.06 1.94 -1.35 -0.56 0.00 0.00 175.26 175.00 3g3e h PRO 268 N 8.06 0.00 0.00 4.30 0.11 -1.66 -1.31 132.00 141.49 3g3e h PRO 268 Ca -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3g3e h PRO 268 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3g3e h PRO 268 CO 0.34 0.00 -0.00 1.79 -0.21 0.00 0.00 178.00 179.91 3g3e h THR 269 N 0.00 0.24 0.00 -1.15 1.35 -1.94 -1.92 112.91 109.50 3g3e h THR 269 Ca 0.20 -0.02 -0.03 0.00 -0.55 0.00 0.00 66.41 66.01 3g3e h THR 269 Cb 1.06 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3g3e h THR 269 CO -0.00 0.00 -0.13 -0.07 -0.25 0.00 0.00 175.52 175.07 3g3e h LEU 270 N 0.00 0.00 -1.44 3.87 4.07 -1.56 -3.30 115.31 116.95 3g3e h LEU 270 Ca -0.00 0.00 0.27 0.00 0.08 0.00 0.00 57.88 58.23 3g3e h LEU 270 Cb 0.02 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.67 3g3e h LEU 270 CO 0.00 0.13 0.69 0.11 -1.08 0.00 0.00 178.44 178.28 3g3e h LYS 271 N 0.00 0.33 -0.49 1.13 1.57 -1.57 0.21 116.57 117.76 3g3e h LYS 271 Ca -0.00 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3g3e h LYS 271 Cb 0.33 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 3g3e h LYS 271 CO 0.02 0.22 0.09 0.09 -0.57 0.00 0.00 179.45 179.30 3g3e n ASN 272 N -4.58 4.26 -4.72 0.86 3.02 -1.24 -4.96 115.26 107.91 3g3e n ASN 272 Ca 0.25 -3.20 -0.41 0.00 -0.03 0.00 0.00 54.58 51.19 3g3e n ASN 272 Cb 0.92 -0.65 -0.04 0.00 -0.61 0.00 0.00 39.78 39.40 3g3e n ASN 272 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g3e s ALA 273 N -2.95 3.23 0.10 5.41 0.00 0.75 -5.00 121.76 123.30 3g3e s ALA 273 Ca 0.49 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3g3e s ALA 273 Cb 0.40 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.25 3g3e s ALA 273 CO 0.10 -0.14 1.13 0.50 0.00 0.00 0.00 175.76 177.35 3g3e s ARG 274 N 0.69 4.51 -0.11 0.00 3.52 -1.24 -4.79 118.95 121.53 3g3e s ARG 274 Ca 0.47 1.70 -0.27 0.00 -0.13 0.00 0.00 55.73 57.50 3g3e s ARG 274 Cb -0.21 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 3g3e s ARG 274 CO 0.26 -0.10 0.89 0.42 -0.81 0.00 0.00 175.30 175.95 3g3e s ILE 275 N 0.56 4.87 -0.18 4.11 1.01 -1.26 -0.09 121.20 130.22 3g3e s ILE 275 Ca 0.54 1.80 0.06 0.00 0.00 0.00 0.00 60.65 63.06 3g3e s ILE 275 Cb -0.28 -4.21 -0.15 0.00 0.01 0.00 0.00 42.46 37.83 3g3e s ILE 275 CO 0.31 0.08 -0.08 -0.38 0.00 0.00 0.00 174.94 174.87 3g3e n ILE 276 N 4.39 1.10 -3.87 2.92 5.41 0.34 -4.94 119.36 124.71 3g3e n ILE 276 Ca 0.05 -0.52 -0.01 0.00 1.00 0.00 0.00 62.75 63.27 3g3e n ILE 276 Cb 0.49 -0.95 0.01 0.00 -0.71 0.00 0.00 39.64 38.49 3g3e n ILE 276 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3g3e s GLY 277 N -5.49 -0.05 -0.17 7.39 0.00 -1.08 -4.98 107.32 102.94 3g3e s GLY 277 Ca -0.19 -0.07 -0.10 0.00 0.00 0.00 0.00 44.72 44.36 3g3e s GLY 277 CO 0.53 2.81 0.42 -0.54 0.00 0.00 0.00 173.10 176.32 3g3e s GLU 278 N -2.26 0.42 0.02 2.90 2.02 -1.26 0.02 118.70 120.55 3g3e s GLU 278 Ca 0.22 0.76 -0.01 0.00 0.02 0.00 0.00 54.97 55.96 3g3e s GLU 278 Cb -0.01 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.23 3g3e s GLU 278 CO 0.02 -0.14 -0.01 1.03 0.02 0.00 0.00 175.26 176.19 3g3e s ARG 279 N 1.17 0.31 0.11 1.61 1.81 -0.40 -4.98 118.95 118.58 3g3e s ARG 279 Ca -0.08 -0.53 0.08 0.00 -1.72 0.00 0.00 55.73 53.48 3g3e s ARG 279 Cb -0.07 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.50 3g3e s ARG 279 CO -0.10 -0.05 -0.13 0.99 -0.68 0.00 0.00 175.30 175.32 3g3e s THR 280 N -1.32 3.18 0.22 0.02 2.01 -1.26 -0.74 115.64 117.74 3g3e s THR 280 Ca -0.14 -1.37 -0.18 0.00 0.31 0.00 0.00 61.69 60.31 3g3e s THR 280 Cb -0.09 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.97 3g3e s THR 280 CO -0.01 0.10 0.56 -0.83 -0.69 0.00 0.00 174.62 173.76 3g3e s GLY 281 N -2.21 -0.03 -0.35 4.40 0.00 0.15 -4.96 107.32 104.32 3g3e s GLY 281 Ca 0.20 -0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.57 3g3e s GLY 281 CO 0.13 -0.26 0.12 -1.36 0.00 0.00 0.00 173.10 171.73 3g3e s PHE 282 N -3.90 3.31 0.10 1.90 0.08 -1.26 -0.63 117.98 117.58 3g3e s PHE 282 Ca 0.11 -1.63 -0.31 0.00 0.12 0.00 0.00 56.93 55.22 3g3e s PHE 282 Cb -0.02 -2.46 -0.09 0.00 -0.57 0.00 0.00 43.02 39.88 3g3e s PHE 282 CO 0.01 -0.79 1.69 1.03 -0.10 0.00 0.00 175.22 177.06 3g3e s ARG 283 N 1.35 4.18 -1.12 0.44 0.52 -0.58 -4.71 118.95 119.04 3g3e s ARG 283 Ca -0.00 2.42 -0.22 0.00 -0.52 0.00 0.00 55.73 57.40 3g3e s ARG 283 Cb -0.20 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.74 3g3e s ARG 283 CO 0.01 -0.75 1.75 -1.25 0.02 0.00 0.00 175.30 175.08 3g3e s PRO 284 N 2.43 3.24 0.22 3.54 0.04 -1.25 0.40 135.00 143.62 3g3e s PRO 284 Ca 0.75 -1.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.27 3g3e s PRO 284 Cb -0.42 -5.33 -0.08 0.00 0.04 0.00 0.00 34.50 28.71 3g3e s PRO 284 CO 0.33 -2.88 1.07 0.08 0.04 0.00 0.00 177.00 175.64 3g3e s VAL 285 N 7.20 3.81 -0.14 -0.36 1.01 0.48 0.05 120.40 132.46 3g3e s VAL 285 Ca 0.58 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.94 3g3e s VAL 285 Cb -0.00 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.41 3g3e s VAL 285 CO 0.03 0.34 0.83 -0.60 0.00 0.00 0.00 175.10 175.70 3g3e s ARG 286 N -0.81 0.81 0.40 2.72 3.52 -1.26 -1.00 118.95 123.34 3g3e s ARG 286 Ca 0.46 0.34 0.09 0.00 -0.13 0.00 0.00 55.73 56.49 3g3e s ARG 286 Cb -0.29 0.39 0.87 0.00 -1.56 0.00 0.00 34.95 34.35 3g3e s ARG 286 CO 0.36 -0.22 2.00 -1.35 -0.81 0.00 0.00 175.30 175.28 3g3e h PRO 287 N 3.19 0.57 -4.41 5.12 0.11 -1.92 -3.43 132.00 131.23 3g3e h PRO 287 Ca -0.24 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.60 3g3e h PRO 287 Cb 1.15 -0.13 -0.20 0.00 0.11 0.00 0.00 31.00 31.94 3g3e h PRO 287 CO 0.29 0.37 -0.72 -0.65 -0.21 0.00 0.00 178.00 177.09 3g3e s GLN 288 N -5.53 0.52 0.41 1.05 -0.21 -1.26 -4.76 119.66 109.89 3g3e s GLN 288 Ca -0.09 -0.83 -0.26 0.00 0.02 0.00 0.00 55.36 54.21 3g3e s GLN 288 Cb 0.19 -0.15 -0.09 0.00 1.00 0.00 0.00 33.01 33.96 3g3e s GLN 288 CO 0.75 0.01 1.34 0.42 -2.12 0.00 0.00 175.29 175.69 3g3e s ILE 289 N -1.86 2.46 -0.59 1.08 1.01 -1.25 -4.86 121.20 117.19 3g3e s ILE 289 Ca -0.08 0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.82 3g3e s ILE 289 Cb -0.07 -3.25 0.12 0.00 0.01 0.00 0.00 42.46 39.27 3g3e s ILE 289 CO -0.01 0.06 0.64 -0.60 0.00 0.00 0.00 174.94 175.03 3g3e s ARG 290 N -2.27 3.05 -0.44 2.79 3.52 0.97 -4.98 118.95 121.60 3g3e s ARG 290 Ca 0.57 -1.52 0.02 0.00 -0.13 0.00 0.00 55.73 54.68 3g3e s ARG 290 Cb -0.40 -4.30 0.13 0.00 -1.56 0.00 0.00 34.95 28.82 3g3e s ARG 290 CO 0.51 -1.46 0.21 -1.17 -0.81 0.00 0.00 175.30 172.58 3g3e s LEU 291 N 2.19 3.32 0.17 -0.88 2.96 -1.26 -2.31 118.68 122.87 3g3e s LEU 291 Ca 0.09 -2.57 -0.24 0.00 -0.22 0.00 0.00 54.13 51.19 3g3e s LEU 291 Cb -0.26 -1.25 0.06 0.00 0.50 0.00 0.00 46.19 45.24 3g3e s LEU 291 CO 0.04 -0.29 0.81 -1.83 -1.32 0.00 0.00 176.35 173.76 3g3e s GLU 292 N 0.38 1.35 0.40 1.98 -1.05 -1.02 -4.98 118.70 115.76 3g3e s GLU 292 Ca 0.16 -0.68 -0.01 0.00 -0.15 0.00 0.00 54.97 54.29 3g3e s GLU 292 Cb -0.24 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 33.93 3g3e s GLU 292 CO -0.04 -0.61 0.63 1.03 0.95 0.00 0.00 175.26 177.23 3g3e s ARG 293 N -3.55 3.38 -0.28 -4.83 0.52 -1.26 -0.53 118.95 112.41 3g3e s ARG 293 Ca 0.09 -0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 54.84 3g3e s ARG 293 Cb -0.03 -2.57 0.11 0.00 0.52 0.00 0.00 34.95 32.98 3g3e s ARG 293 CO -0.01 -0.04 0.86 -2.00 0.02 0.00 0.00 175.30 174.13 3g3e s GLU 294 N -4.47 0.57 -0.29 3.54 2.12 -0.38 -4.93 118.70 114.86 3g3e s GLU 294 Ca 0.44 0.88 -0.13 0.00 0.36 0.00 0.00 54.97 56.52 3g3e s GLU 294 Cb -0.10 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 3g3e s GLU 294 CO 0.38 -0.10 0.26 1.14 -0.54 0.00 0.00 175.26 176.40 3g3e s GLN 295 N 1.10 3.90 0.08 4.30 0.00 -1.26 -0.24 119.66 127.55 3g3e s GLN 295 Ca -0.06 -0.25 -0.30 0.00 -0.00 0.00 0.00 55.36 54.75 3g3e s GLN 295 Cb -0.05 -3.68 -0.05 0.00 0.00 0.00 0.00 33.01 29.23 3g3e s GLN 295 CO -0.13 -0.26 1.05 -0.51 0.00 0.00 0.00 175.29 175.44 3g3e s LEU 296 N 1.87 4.43 -0.00 2.60 2.01 0.16 -4.88 118.68 124.87 3g3e s LEU 296 Ca 0.10 1.87 -0.24 0.00 0.01 0.00 0.00 54.13 55.87 3g3e s LEU 296 Cb -0.16 -3.58 -0.15 0.00 0.01 0.00 0.00 46.19 42.31 3g3e s LEU 296 CO 0.11 -0.24 1.07 0.03 1.01 0.00 0.00 176.35 178.32 3g3e h ARG 297 N 6.09 -0.56 -0.20 1.70 -0.00 -1.86 0.46 114.38 120.01 3g3e h ARG 297 Ca -0.42 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 3g3e h ARG 297 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 29.97 31.31 3g3e h ARG 297 CO 0.75 -0.25 0.00 0.25 0.00 0.00 0.00 179.97 180.72 3g3e n THR 298 N -5.19 0.00 -2.98 2.04 -2.24 -1.26 -3.79 114.28 100.85 3g3e n THR 298 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3g3e n THR 298 Cb 0.29 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3g3e n THR 298 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g3e n GLY 299 N 0.46 -1.67 0.11 3.38 0.00 -1.26 -4.07 105.19 102.14 3g3e n GLY 299 Ca 0.00 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.63 3g3e n GLY 299 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g3e n PRO 300 N 0.00 0.19 -4.92 1.61 -0.04 -1.26 -4.65 135.00 125.92 3g3e n PRO 300 Ca 0.00 0.36 -0.33 0.00 -0.04 0.00 0.00 63.50 63.49 3g3e n PRO 300 Cb 0.00 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 31.50 3g3e n PRO 300 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3g3e s SER 301 N -4.17 3.87 -0.07 3.54 1.04 -1.26 -5.11 113.70 111.55 3g3e s SER 301 Ca 0.06 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 3g3e s SER 301 Cb 0.10 -1.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.14 3g3e s SER 301 CO 0.42 0.28 0.30 0.20 0.98 0.00 0.00 173.24 175.43 3g3e s ASN 302 N -0.36 6.61 -0.14 7.02 0.02 -1.25 -4.27 114.94 122.58 3g3e s ASN 302 Ca 0.03 0.73 -0.05 0.00 -1.02 0.00 0.00 52.86 52.56 3g3e s ASN 302 Cb -0.12 -2.18 -0.04 0.00 0.02 0.00 0.00 41.25 38.93 3g3e s ASN 302 CO 0.02 0.31 0.03 -0.89 0.02 0.00 0.00 177.10 176.60 3g3e s THR 303 N -0.79 4.57 0.07 1.60 2.01 0.16 -4.92 115.64 118.34 3g3e s THR 303 Ca 0.20 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 61.81 3g3e s THR 303 Cb -0.15 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 3g3e s THR 303 CO 0.09 0.54 0.78 -1.61 -0.69 0.00 0.00 174.62 173.72 3g3e s GLU 304 N -0.26 4.52 -0.07 4.92 0.41 -1.15 0.40 118.70 127.45 3g3e s GLU 304 Ca 0.07 1.10 0.02 0.00 -0.41 0.00 0.00 54.97 55.76 3g3e s GLU 304 Cb -0.12 -3.35 0.01 0.00 -1.78 0.00 0.00 34.13 28.89 3g3e s GLU 304 CO 0.02 0.32 -0.14 0.08 -0.49 0.00 0.00 175.26 175.04 3g3e s VAL 305 N -0.21 1.31 -0.28 2.63 1.01 0.67 -0.76 120.40 124.77 3g3e s VAL 305 Ca 0.39 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3g3e s VAL 305 Cb -0.21 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.01 3g3e s VAL 305 CO 0.24 0.39 0.04 -0.63 0.00 0.00 0.00 175.10 175.14 3g3e s ILE 306 N 0.64 3.61 0.12 2.22 1.01 -0.39 -1.25 121.20 127.15 3g3e s ILE 306 Ca -0.15 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.43 3g3e s ILE 306 Cb -0.16 -2.86 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 3g3e s ILE 306 CO 0.04 0.10 0.74 -1.00 0.00 0.00 0.00 174.94 174.82 3g3e s HIS 307 N 1.44 3.84 -0.43 3.97 3.76 0.32 -0.34 115.29 127.85 3g3e s HIS 307 Ca 0.01 1.53 0.04 0.00 -0.15 0.00 0.00 55.06 56.50 3g3e s HIS 307 Cb -0.17 -2.74 0.17 0.00 1.11 0.00 0.00 32.58 30.95 3g3e s HIS 307 CO 0.00 0.46 0.41 1.21 -0.85 0.00 0.00 174.74 175.97 3g3e s ASN 308 N -0.83 0.90 0.25 1.40 2.47 0.19 -2.44 114.94 116.88 3g3e s ASN 308 Ca 0.35 -2.72 -0.15 0.00 0.42 0.00 0.00 52.86 50.76 3g3e s ASN 308 Cb -0.22 0.06 0.00 0.00 -1.45 0.00 0.00 41.25 39.64 3g3e s ASN 308 CO 0.24 -0.16 0.55 -0.72 -3.72 0.00 0.00 177.10 173.29 3g3e s TYR 309 N 0.31 0.20 0.00 0.43 -0.85 -0.98 -4.33 117.35 112.13 3g3e s TYR 309 Ca 0.31 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 3g3e s TYR 309 Cb 0.01 0.34 0.00 0.00 0.38 0.00 0.00 41.96 42.69 3g3e s TYR 309 CO -0.16 -1.06 0.00 0.41 -1.52 0.00 0.00 175.55 173.22 3g3e n GLY 310 N -0.40 0.47 1.49 5.49 0.00 -1.26 -0.02 105.19 110.96 3g3e n GLY 310 Ca -0.02 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.74 3g3e n GLY 310 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g3e n HIS 311 N -0.70 1.41 0.00 1.61 8.25 -1.09 -3.86 115.22 120.84 3g3e n HIS 311 Ca 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3g3e n HIS 311 Cb 0.34 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3g3e n HIS 311 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g3e n GLY 312 N 0.96 2.90 1.54 -1.41 0.00 0.11 -1.67 105.19 107.61 3g3e n GLY 312 Ca 0.23 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.29 3g3e n GLY 312 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3e n GLY 313 N 0.00 4.37 1.15 -0.02 0.00 -1.26 -3.83 105.19 105.60 3g3e n GLY 313 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 46.02 44.94 3g3e n GLY 313 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3g3e n TYR 314 N -0.79 0.00 -0.03 1.61 4.11 -0.67 -4.89 117.16 116.49 3g3e n TYR 314 Ca 0.39 -0.37 -0.09 0.00 -0.00 0.00 0.00 57.90 57.82 3g3e n TYR 314 Cb 1.23 -0.12 0.06 0.00 -0.00 0.00 0.00 39.34 40.51 3g3e n TYR 314 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 3g3e h GLY 315 N 0.67 0.71 1.03 -7.48 0.00 -1.75 -1.36 103.07 94.89 3g3e h GLY 315 Ca -0.15 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.37 3g3e h GLY 315 CO 0.06 0.67 0.12 1.41 0.00 0.00 0.00 176.54 178.81 3g3e h LEU 316 N 0.52 0.94 -2.18 3.11 3.38 -1.91 0.73 115.31 119.91 3g3e h LEU 316 Ca 0.03 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3g3e h LEU 316 Cb 0.98 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3g3e h LEU 316 CO 0.09 0.95 0.06 0.74 0.09 0.00 0.00 178.44 180.37 3g3e h THR 317 N 0.90 0.76 0.00 0.22 2.02 -1.72 -3.24 112.91 111.85 3g3e h THR 317 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 3g3e h THR 317 Cb 0.39 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3g3e h THR 317 CO 0.01 0.00 -0.57 0.00 0.37 0.00 0.00 175.52 175.33 3g3e n ILE 318 N -4.21 0.00 -0.30 3.11 3.06 -0.55 -4.46 119.36 116.01 3g3e n ILE 318 Ca -0.01 -0.26 0.20 0.00 -2.50 0.00 0.00 62.75 60.18 3g3e n ILE 318 Cb 0.16 0.74 0.48 0.00 0.54 0.00 0.00 39.64 41.55 3g3e n ILE 318 CO 0.00 0.00 0.00 1.12 -2.50 0.00 0.00 176.55 175.17 3g3e h HIS 319 N 0.00 0.68 0.13 9.51 2.07 -0.88 -2.69 115.15 123.96 3g3e h HIS 319 Ca 0.00 0.02 -0.29 0.00 -2.85 0.00 0.00 60.37 57.26 3g3e h HIS 319 Cb 0.06 -0.20 0.02 0.00 2.57 0.00 0.00 27.41 29.86 3g3e h HIS 319 CO 0.00 0.12 -1.23 2.35 -3.07 0.00 0.00 177.93 176.10 3g3e h TRP 320 N 0.46 0.80 -0.11 6.12 2.91 -1.84 -1.25 115.95 123.05 3g3e h TRP 320 Ca 0.54 -0.53 -0.10 0.00 1.13 0.00 0.00 58.89 59.94 3g3e h TRP 320 Cb 1.28 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.86 3g3e h TRP 320 CO -0.00 1.38 -0.38 0.78 -1.03 0.00 0.00 178.44 179.19 3g3e h GLY 321 N 0.78 0.24 1.43 2.65 0.00 -1.54 -1.44 103.07 105.19 3g3e h GLY 321 Ca -0.17 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 3g3e h GLY 321 CO 0.22 0.20 -0.57 0.00 0.00 0.00 0.00 176.54 176.39 3g3e h ALA 323 N 0.92 1.06 0.02 0.00 0.00 -0.87 0.15 119.26 120.53 3g3e h ALA 323 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 3g3e h ALA 323 Cb 1.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3g3e h ALA 323 CO 0.11 0.59 -0.95 -0.07 0.00 0.00 0.00 179.25 178.93 3g3e h LEU 324 N 0.28 0.18 -0.27 0.00 3.38 -1.18 -2.02 115.31 115.69 3g3e h LEU 324 Ca 0.03 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3g3e h LEU 324 Cb 0.81 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3g3e h LEU 324 CO 0.06 1.03 -0.09 -0.08 0.09 0.00 0.00 178.44 179.45 3g3e h GLU 325 N 0.06 0.54 -0.19 1.13 4.57 -0.97 -1.68 114.58 118.04 3g3e h GLU 325 Ca -0.04 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 3g3e h GLU 325 Cb 1.63 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.18 3g3e h GLU 325 CO 0.14 0.76 0.07 0.00 -1.18 0.00 0.00 179.01 178.81 3g3e h ALA 326 N 0.76 1.78 -0.01 2.92 0.00 -0.71 -1.80 119.26 122.21 3g3e h ALA 326 Ca 0.07 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3g3e h ALA 326 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3g3e h ALA 326 CO 0.03 0.18 -0.68 0.00 0.00 0.00 0.00 179.25 178.78 3g3e h ALA 327 N 1.83 0.86 -0.29 0.00 0.00 -1.10 -2.51 119.26 118.04 3g3e h ALA 327 Ca 0.07 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 3g3e h ALA 327 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3g3e h ALA 327 CO -0.01 0.84 -0.21 0.87 0.00 0.00 0.00 179.25 180.75 3g3e h LYS 328 N 0.02 0.66 -0.26 0.00 1.57 -0.50 -2.28 116.57 115.78 3g3e h LYS 328 Ca -0.01 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3g3e h LYS 328 Cb 1.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3g3e h LYS 328 CO 0.09 0.91 0.17 -0.07 -0.57 0.00 0.00 179.45 179.99 3g3e h LEU 329 N 0.40 0.28 -0.18 2.94 3.38 -1.24 -0.79 115.31 120.10 3g3e h LEU 329 Ca 0.06 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 3g3e h LEU 329 Cb 0.75 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.44 3g3e h LEU 329 CO 0.06 0.20 -0.65 0.15 0.09 0.00 0.00 178.44 178.28 3g3e h PHE 330 N 0.32 1.01 -0.09 1.13 3.57 -1.33 -2.14 116.94 119.42 3g3e h PHE 330 Ca 0.10 -0.42 -0.06 0.00 3.53 0.00 0.00 57.97 61.12 3g3e h PHE 330 Cb 0.00 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3g3e h PHE 330 CO -0.00 1.24 -0.22 0.78 -2.23 0.00 0.00 178.31 177.87 3g3e h GLY 331 N 0.49 0.15 0.94 2.40 0.00 -0.59 -1.25 103.07 105.22 3g3e h GLY 331 Ca -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3g3e h GLY 331 CO 0.14 0.10 -0.14 3.21 0.00 0.00 0.00 176.54 179.85 3g3e h ARG 332 N 0.13 0.69 -0.81 4.80 3.08 -1.10 -1.51 114.38 119.67 3g3e h ARG 332 Ca 0.02 -0.29 0.10 0.00 0.07 0.00 0.00 59.98 59.89 3g3e h ARG 332 Cb 0.48 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 3g3e h ARG 332 CO 0.03 0.88 0.44 0.82 -1.07 0.00 0.00 179.97 181.07 3g3e h ILE 333 N 0.46 0.86 -0.45 2.04 2.04 -0.68 -1.39 117.51 120.39 3g3e h ILE 333 Ca 0.08 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 3g3e h ILE 333 Cb 0.66 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3g3e h ILE 333 CO 0.04 0.13 -0.19 -0.07 0.00 0.00 0.00 178.15 178.06 3g3e h LEU 334 N 0.72 0.95 -2.09 1.44 3.38 -0.98 -1.70 115.31 117.02 3g3e h LEU 334 Ca 0.40 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3g3e h LEU 334 Cb 0.42 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3g3e h LEU 334 CO -0.27 1.13 -0.04 -0.33 0.09 0.00 0.00 178.44 179.02 3g3e h GLU 335 N 0.77 0.00 0.17 1.13 4.39 -0.50 0.27 114.58 120.80 3g3e h GLU 335 Ca 0.10 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.49 3g3e h GLU 335 Cb 0.76 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3g3e h GLU 335 CO 0.06 0.04 -1.45 0.93 -1.16 0.00 0.00 179.01 177.43 3g3e h GLU 336 N 0.00 0.35 0.00 2.33 5.08 -0.52 -3.05 114.58 118.78 3g3e h GLU 336 Ca -0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3g3e h GLU 336 Cb 0.29 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3g3e h GLU 336 CO 0.01 1.26 0.00 1.63 -1.00 0.00 0.00 179.01 180.91 3g3e n LYS 337 N -3.57 0.99 -4.02 2.33 5.02 -0.71 -4.84 118.16 113.36 3g3e n LYS 337 Ca -0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.86 3g3e n LYS 337 Cb 1.06 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.55 3g3e n LYS 337 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g3e n LYS 338 N -1.00 -3.29 -0.95 1.97 5.02 -0.35 -4.84 118.16 114.72 3g3e n LYS 338 Ca 0.24 0.40 -0.04 0.00 -2.02 0.00 0.00 58.31 56.89 3g3e n LYS 338 Cb 0.11 -4.66 0.30 0.00 -0.02 0.00 0.00 35.03 30.76 3g3e n LYS 338 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3g3e n LEU 339 N -4.42 5.75 0.00 -0.35 4.32 0.80 -5.01 117.00 118.09 3g3e n LEU 339 Ca -0.22 -3.23 0.00 0.00 -0.02 0.00 0.00 56.01 52.54 3g3e n LEU 339 Cb 0.64 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 3g3e n LEU 339 CO 0.78 0.82 0.00 -0.24 -1.22 0.00 0.00 177.39 177.52